#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n91 s ASP 2 N 0.00 -0.97 0.00 7.83 2.15 -1.26 -4.99 116.67 119.43 1n91 s ASP 2 Ca 0.00 0.76 0.00 0.00 0.43 0.00 0.00 52.55 53.74 1n91 s ASP 2 Cb 0.00 1.91 0.00 0.00 -0.30 0.00 0.00 42.92 44.53 1n91 s ASP 2 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 1n91 n GLY 3 N 5.41 0.00 3.19 2.66 0.00 -1.26 -5.00 105.19 110.19 1n91 n GLY 3 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1n91 n GLY 3 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n91 n VAL 4 N 0.00 -8.24 -1.89 1.61 0.31 -1.26 -4.83 118.33 104.02 1n91 n VAL 4 Ca 0.00 0.25 -0.41 0.00 -0.01 0.00 0.00 64.34 64.16 1n91 n VAL 4 Cb 0.00 -5.79 -0.00 0.00 -0.91 0.00 0.00 33.84 27.13 1n91 n VAL 4 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1n91 n MET 5 N -1.12 3.51 -1.45 5.55 1.56 -1.26 -4.82 117.12 119.09 1n91 n MET 5 Ca -0.03 -2.96 0.00 0.00 -0.27 0.00 0.00 57.70 54.44 1n91 n MET 5 Cb 0.55 -2.99 0.00 0.00 2.15 0.00 0.00 33.22 32.94 1n91 n MET 5 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1n91 n SER 6 N 4.27 1.37 0.00 6.12 7.64 -1.23 -4.90 113.62 126.90 1n91 n SER 6 Ca 0.54 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1n91 n SER 6 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -3.28 -0.43 0.00 -1.26 -3.75 120.51 108.80 1n91 n ALA 7 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 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 0.01 0.00 0.11 -1.26 0.13 120.40 119.42 1n91 s VAL 8 Ca 0.00 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1n91 s VAL 8 Cb 0.00 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1n91 s VAL 8 CO 0.00 -0.16 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.68 1n91 s THR 9 N -2.44 0.25 -0.36 5.04 2.01 -0.94 -4.95 115.64 114.26 1n91 s THR 9 Ca -0.05 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1n91 s THR 9 Cb -0.01 -0.27 0.08 0.00 0.01 0.00 0.00 72.50 72.31 1n91 s THR 9 CO -0.02 -0.10 0.11 0.68 -0.69 0.00 0.00 174.62 174.59 1n91 s VAL 10 N -0.51 3.19 0.00 3.82 -7.23 -1.26 -0.29 120.40 118.11 1n91 s VAL 10 Ca -0.04 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1n91 s VAL 10 Cb -0.04 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1n91 s VAL 10 CO -0.00 -0.40 0.00 0.59 -0.31 0.00 0.00 175.10 174.98 1n91 n ASN 11 N 4.62 0.00 -0.74 4.85 3.02 -1.03 -5.00 115.26 120.98 1n91 n ASN 11 Ca -0.07 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.55 1n91 n ASN 11 Cb 0.42 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.73 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 2.78 -0.01 6.41 8.00 -1.26 -4.32 116.55 128.15 1n91 n ASP 12 Ca 0.00 -1.83 0.02 0.00 0.71 0.00 0.00 54.79 53.70 1n91 n ASP 12 Cb 0.00 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 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 0.85 3.38 0.00 -2.24 2.03 -1.26 -5.08 116.55 114.23 1n91 n ASP 13 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1n91 n ASP 13 Cb 0.43 1.19 0.00 0.00 -0.72 0.00 0.00 41.12 42.02 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 2.20 -0.49 3.28 0.27 0.00 -1.26 -2.75 105.19 106.44 1n91 n GLY 14 Ca -0.03 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.13 0.99 2.34 -1.03 -2.47 118.68 119.06 1n91 s LEU 15 Ca 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 54.13 54.11 1n91 s LEU 15 Cb 0.00 1.50 -0.02 0.00 -0.56 0.00 0.00 46.19 47.10 1n91 s LEU 15 CO 0.00 -0.60 -0.07 -0.69 -1.06 0.00 0.00 176.35 173.93 1n91 s VAL 16 N -2.28 3.60 -0.42 1.48 1.01 0.60 -0.61 120.40 123.79 1n91 s VAL 16 Ca -0.07 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1n91 s VAL 16 Cb -0.02 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.92 1n91 s VAL 16 CO -0.01 0.52 0.24 -0.22 0.00 0.00 0.00 175.10 175.63 1n91 s LEU 17 N 0.14 5.19 -0.27 3.92 2.96 0.26 -2.22 118.68 128.67 1n91 s LEU 17 Ca -0.03 -1.74 -0.09 0.00 -0.22 0.00 0.00 54.13 52.05 1n91 s LEU 17 Cb -0.14 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1n91 s LEU 17 CO 0.03 -0.55 0.12 -0.13 -1.32 0.00 0.00 176.35 174.50 1n91 s ARG 18 N 1.31 3.69 0.36 1.98 0.52 0.12 -0.61 118.95 126.31 1n91 s ARG 18 Ca 0.04 -0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1n91 s ARG 18 Cb -0.23 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 31.78 1n91 s ARG 18 CO -0.01 -0.22 0.49 -0.48 0.02 0.00 0.00 175.30 175.10 1n91 s LEU 19 N 1.66 1.08 -0.36 2.53 0.05 -0.47 -4.54 118.68 118.63 1n91 s LEU 19 Ca 0.06 -1.54 -0.04 0.00 0.05 0.00 0.00 54.13 52.66 1n91 s LEU 19 Cb -0.16 1.49 0.07 0.00 -2.05 0.00 0.00 46.19 45.54 1n91 s LEU 19 CO 0.06 -1.33 0.12 -0.47 -0.55 0.00 0.00 176.35 174.18 1n91 s TYR 20 N -2.91 3.37 0.15 3.48 5.04 0.21 -0.81 117.35 125.88 1n91 s TYR 20 Ca 0.31 -1.91 -0.30 0.00 -2.44 0.00 0.00 57.07 52.73 1n91 s TYR 20 Cb -0.01 -2.60 -0.07 0.00 0.35 0.00 0.00 41.96 39.63 1n91 s TYR 20 CO 0.22 -0.85 1.07 0.42 -1.34 0.00 0.00 175.55 175.07 1n91 s ILE 21 N 1.27 4.04 -0.48 3.14 -1.09 0.23 -2.24 121.20 126.07 1n91 s ILE 21 Ca 0.01 1.72 0.04 0.00 -2.23 0.00 0.00 60.65 60.18 1n91 s ILE 21 Cb -0.21 -4.10 0.13 0.00 -1.58 0.00 0.00 42.46 36.70 1n91 s ILE 21 CO -0.01 0.28 0.23 -1.58 -1.23 0.00 0.00 174.94 172.63 1n91 s GLN 22 N -0.18 1.76 0.60 2.79 -0.44 0.25 -4.70 119.66 119.76 1n91 s GLN 22 Ca 0.49 -2.40 -0.16 0.00 -2.50 0.00 0.00 55.36 50.80 1n91 s GLN 22 Cb -0.28 -3.09 -0.03 0.00 -1.64 0.00 0.00 33.01 27.98 1n91 s GLN 22 CO 0.33 -1.10 1.08 -2.14 0.50 0.00 0.00 175.29 173.96 1n91 s PRO 23 N -0.01 3.17 -0.22 1.67 0.02 -1.26 0.11 135.00 138.48 1n91 s PRO 23 Ca 0.16 1.32 -0.01 0.00 0.02 0.00 0.00 61.00 62.50 1n91 s PRO 23 Cb -0.25 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.27 1n91 s PRO 23 CO -0.01 -0.95 0.19 1.63 -0.33 0.00 0.00 177.00 177.53 1n91 n LYS 24 N -2.03 -1.29 -3.23 5.54 5.02 0.94 -4.84 118.16 118.28 1n91 n LYS 24 Ca 0.10 0.14 -0.18 0.00 -2.02 0.00 0.00 58.31 56.35 1n91 n LYS 24 Cb 0.52 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 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 -3.06 4.38 0.47 7.82 0.00 0.08 -4.93 121.76 126.53 1n91 s ALA 25 Ca 0.07 -1.58 0.40 0.00 0.00 0.00 0.00 51.96 50.85 1n91 s ALA 25 Cb -0.03 -1.63 2.11 0.00 0.00 0.00 0.00 23.12 23.57 1n91 s ALA 25 CO 0.12 -0.17 2.23 0.66 0.00 0.00 0.00 175.76 178.61 1n91 h SER 26 N 0.77 0.00 -5.81 0.00 4.64 -1.91 -3.34 113.55 107.89 1n91 h SER 26 Ca -0.43 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.23 1n91 h SER 26 Cb 1.27 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 1n91 h SER 26 CO 0.49 0.00 0.86 0.00 -0.87 0.00 0.00 176.83 177.31 1n91 s ARG 27 N -3.99 0.34 -0.98 4.77 1.70 -1.26 -4.91 118.95 114.61 1n91 s ARG 27 Ca -0.03 -0.19 -0.22 0.00 -0.47 0.00 0.00 55.73 54.82 1n91 s ARG 27 Cb 0.12 0.11 0.08 0.00 -0.57 0.00 0.00 34.95 34.69 1n91 s ARG 27 CO 0.41 -0.16 1.33 -0.51 -1.08 0.00 0.00 175.30 175.30 1n91 s ASP 28 N -3.04 6.53 0.02 -2.89 1.11 -1.23 -3.94 116.67 113.24 1n91 s ASP 28 Ca 0.15 -1.63 0.04 0.00 0.18 0.00 0.00 52.55 51.30 1n91 s ASP 28 Cb 0.05 -2.51 -0.02 0.00 1.07 0.00 0.00 42.92 41.51 1n91 s ASP 28 CO -0.04 -1.37 -0.12 -0.44 1.18 0.00 0.00 175.17 174.38 1n91 s SER 29 N 4.49 1.46 -1.20 0.27 0.01 0.10 -4.98 113.70 113.85 1n91 s SER 29 Ca 0.41 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 57.22 1n91 s SER 29 Cb -0.02 -0.11 0.21 0.00 0.21 0.00 0.00 66.02 66.31 1n91 s SER 29 CO -0.09 0.06 1.57 2.30 0.41 0.00 0.00 173.24 177.49 1n91 n ILE 30 N 2.25 4.55 -0.88 1.44 -5.35 -1.26 -1.18 119.36 118.93 1n91 n ILE 30 Ca -0.17 -4.93 0.08 0.00 -0.27 0.00 0.00 62.75 57.46 1n91 n ILE 30 Cb 0.55 -2.37 0.35 0.00 -1.74 0.00 0.00 39.64 36.44 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 3.21 2.47 -2.63 7.28 0.31 -1.25 -4.41 118.33 123.31 1n91 n VAL 31 Ca 0.34 -1.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.16 1n91 n VAL 31 Cb 0.38 -0.20 0.04 0.00 -0.91 0.00 0.00 33.84 33.15 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 0.35 1.45 3.67 2.92 0.00 -0.32 -5.04 105.19 108.22 1n91 n GLY 32 Ca 0.25 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.28 4.27 0.30 0.99 1.43 -1.22 -0.02 118.68 122.15 1n91 s LEU 33 Ca 0.24 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.43 1n91 s LEU 33 Cb 0.33 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1n91 s LEU 33 CO -0.09 -0.79 0.13 -2.28 0.23 0.00 0.00 176.35 173.55 1n91 s HIS 34 N 3.20 2.81 0.21 0.29 2.46 0.81 -4.87 115.29 120.19 1n91 s HIS 34 Ca 0.63 -0.27 0.14 0.00 0.47 0.00 0.00 55.06 56.03 1n91 s HIS 34 Cb -0.29 -1.47 0.45 0.00 -0.13 0.00 0.00 32.58 31.14 1n91 s HIS 34 CO 0.24 0.44 1.64 0.78 -2.47 0.00 0.00 174.74 175.37 1n91 h GLY 35 N 1.60 0.00 -0.02 1.59 0.00 -1.95 -3.19 103.07 101.11 1n91 h GLY 35 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1n91 h GLY 35 CO 0.61 0.00 -0.45 1.22 0.00 0.00 0.00 176.54 177.92 1n91 n ASP 36 N -3.65 0.50 -2.92 0.19 9.92 -1.26 -4.66 116.55 114.67 1n91 n ASP 36 Ca -0.01 -0.75 -0.15 0.00 -0.53 0.00 0.00 54.79 53.35 1n91 n ASP 36 Cb 0.59 0.97 -0.05 0.00 -0.64 0.00 0.00 41.12 41.99 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 -1.18 0.52 -3.58 -1.24 1.02 -1.20 -3.52 120.64 111.45 1n91 n GLU 37 Ca 0.02 -2.78 -0.19 0.00 -0.02 0.00 0.00 57.16 54.19 1n91 n GLU 37 Cb 0.16 2.48 -0.15 0.00 -0.02 0.00 0.00 31.44 33.91 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 -0.25 -0.23 2.62 1.01 -1.26 -0.14 120.40 119.16 1n91 s VAL 38 Ca 0.31 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1n91 s VAL 38 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1n91 s VAL 38 CO 0.22 -0.09 -0.04 -0.75 0.00 0.00 0.00 175.10 174.45 1n91 s LYS 39 N 2.27 3.23 -0.07 2.72 2.20 0.96 0.65 119.74 131.71 1n91 s LYS 39 Ca 0.04 -0.72 0.04 0.00 -0.36 0.00 0.00 55.97 54.97 1n91 s LYS 39 Cb -0.14 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1n91 s LYS 39 CO -0.09 -0.27 -0.21 0.54 -0.36 0.00 0.00 175.35 174.97 1n91 s VAL 40 N 1.45 1.74 -0.21 4.02 0.11 -0.95 -1.18 120.40 125.37 1n91 s VAL 40 Ca 0.04 -0.87 -0.12 0.00 -2.93 0.00 0.00 61.98 58.11 1n91 s VAL 40 Cb -0.15 -1.50 -0.05 0.00 -1.53 0.00 0.00 36.38 33.16 1n91 s VAL 40 CO -0.03 0.49 0.22 0.00 -3.33 0.00 0.00 175.10 172.45 1n91 s ALA 41 N 0.14 3.61 0.05 1.54 0.00 -0.33 -0.58 121.76 126.20 1n91 s ALA 41 Ca -0.09 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1n91 s ALA 41 Cb -0.14 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1n91 s ALA 41 CO 0.05 -0.12 -0.19 -1.50 0.00 0.00 0.00 175.76 174.00 1n91 s ILE 42 N 0.92 2.76 -0.56 0.00 2.07 0.12 -0.73 121.20 125.78 1n91 s ILE 42 Ca 0.11 -1.24 0.04 0.00 -1.41 0.00 0.00 60.65 58.15 1n91 s ILE 42 Cb -0.13 -2.17 0.28 0.00 0.13 0.00 0.00 42.46 40.57 1n91 s ILE 42 CO 0.04 0.31 1.07 1.07 -1.91 0.00 0.00 174.94 175.51 1n91 n THR 43 N 1.46 1.24 -3.94 4.00 5.66 -1.26 -0.04 114.28 121.41 1n91 n THR 43 Ca -0.16 -0.56 -0.34 0.00 -3.05 0.00 0.00 64.05 59.93 1n91 n THR 43 Cb 0.52 -0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 68.71 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 -1.51 3.85 1.08 1.79 0.00 -1.26 -4.62 121.76 121.10 1n91 s ALA 44 Ca 0.20 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 1n91 s ALA 44 Cb 0.16 -1.85 0.16 0.00 0.00 0.00 0.00 23.12 21.59 1n91 s ALA 44 CO 0.05 0.69 0.56 -2.30 0.00 0.00 0.00 175.76 174.77 1n91 n PRO 45 N 1.35 -1.50 0.00 0.00 -0.01 -1.26 -2.52 135.00 131.06 1n91 n PRO 45 Ca -0.14 -0.41 0.00 0.00 -0.01 0.00 0.00 63.50 62.94 1n91 n PRO 45 Cb 0.53 -1.97 0.00 0.00 -0.01 0.00 0.00 33.50 32.05 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 -3.25 0.83 -3.63 0.52 -0.02 -1.26 -3.97 135.00 124.22 1n91 n PRO 46 Ca 0.04 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 1n91 n PRO 46 Cb 0.57 -1.06 -0.05 0.00 -0.02 0.00 0.00 33.50 32.93 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 -1.84 5.13 0.04 -1.45 0.11 -1.26 -4.91 120.40 116.21 1n91 s VAL 47 Ca 0.00 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.88 1n91 s VAL 47 Cb 0.00 -3.63 -0.17 0.00 -1.53 0.00 0.00 36.38 31.05 1n91 s VAL 47 CO 0.00 0.01 1.46 0.44 -3.33 0.00 0.00 175.10 173.68 1n91 h ASP 48 N 2.74 -0.31 -1.00 3.54 3.32 -1.88 0.27 116.42 123.10 1n91 h ASP 48 Ca -0.46 -0.12 0.24 0.00 0.02 0.00 0.00 57.03 56.72 1n91 h ASP 48 Cb 1.17 0.08 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 1n91 h ASP 48 CO 0.72 -0.07 -0.09 0.61 -1.72 0.00 0.00 179.24 178.70 1n91 n GLY 49 N -0.72 -1.48 0.09 2.75 0.00 -1.26 0.16 105.19 104.72 1n91 n GLY 49 Ca -0.10 1.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.76 1n91 n GLY 49 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1n91 h GLN 50 N 0.00 0.00 -0.01 1.61 5.75 -1.87 -3.02 115.11 117.57 1n91 h GLN 50 Ca 0.55 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.05 1n91 h GLN 50 Cb 1.04 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 1n91 h GLN 50 CO -0.97 0.98 0.00 0.00 -2.65 0.00 0.00 178.83 176.20 1n91 h ALA 51 N -0.26 0.01 0.09 3.38 0.00 0.08 -1.90 119.26 120.65 1n91 h ALA 51 Ca -0.18 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1n91 h ALA 51 Cb 1.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1n91 h ALA 51 CO -0.11 -0.48 -0.14 -0.97 0.00 0.00 0.00 179.25 177.56 1n91 h ASN 52 N -0.02 -0.38 -0.54 0.00 -0.73 0.14 -0.40 115.58 113.64 1n91 h ASN 52 Ca 0.00 0.04 0.10 0.00 1.87 0.00 0.00 56.30 58.32 1n91 h ASN 52 Cb 0.03 0.14 -0.08 0.00 0.27 0.00 0.00 38.32 38.68 1n91 h ASN 52 CO -0.00 -0.21 0.09 0.77 -0.37 0.00 0.00 177.43 177.71 1n91 h SER 53 N -0.28 -0.06 -0.28 1.15 4.64 -1.42 -1.25 113.55 116.05 1n91 h SER 53 Ca 0.02 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1n91 h SER 53 Cb 0.29 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1n91 h SER 53 CO -0.07 -0.01 0.16 0.45 -0.87 0.00 0.00 176.83 176.49 1n91 h HIS 54 N 0.21 0.37 -0.04 4.77 3.86 -1.06 -2.32 115.15 120.95 1n91 h HIS 54 Ca 0.28 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1n91 h HIS 54 Cb 0.41 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.70 1n91 h HIS 54 CO -0.26 0.30 -0.47 1.25 0.86 0.00 0.00 177.93 179.61 1n91 h LEU 55 N 0.34 -1.45 -2.25 2.43 7.12 0.00 0.91 115.31 122.40 1n91 h LEU 55 Ca 0.10 0.17 0.02 0.00 0.13 0.00 0.00 57.88 58.30 1n91 h LEU 55 Cb 0.04 0.56 -0.00 0.00 -0.53 0.00 0.00 40.66 40.73 1n91 h LEU 55 CO -0.02 -0.44 0.25 1.62 -0.13 0.00 0.00 178.44 179.72 1n91 h VAL 56 N -0.55 0.12 0.00 1.05 3.04 -1.22 -0.26 116.25 118.43 1n91 h VAL 56 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1n91 h VAL 56 Cb 0.61 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1n91 h VAL 56 CO -0.33 0.00 -0.24 0.50 -1.01 0.00 0.00 177.57 176.49 1n91 h LYS 57 N 0.00 0.00 -0.95 4.17 3.64 0.17 -1.15 116.57 122.45 1n91 h LYS 57 Ca 0.04 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1n91 h LYS 57 Cb 0.53 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.27 1n91 h LYS 57 CO -0.00 0.00 0.61 0.35 -2.27 0.00 0.00 179.45 178.13 1n91 h PHE 58 N -0.93 0.99 0.20 1.91 3.57 0.93 0.27 116.94 123.88 1n91 h PHE 58 Ca 0.00 0.03 -0.34 0.00 3.53 0.00 0.00 57.97 61.19 1n91 h PHE 58 Cb 0.24 -0.31 0.02 0.00 2.79 0.00 0.00 35.95 38.68 1n91 h PHE 58 CO -0.10 0.36 -1.64 -0.07 -2.23 0.00 0.00 178.31 174.62 1n91 h LEU 59 N 0.83 0.65 -1.19 0.59 4.07 -1.23 -2.57 115.31 116.47 1n91 h LEU 59 Ca 0.49 -0.87 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 1n91 h LEU 59 Cb 0.65 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 1n91 h LEU 59 CO -0.25 1.72 0.40 1.23 -1.08 0.00 0.00 178.44 180.45 1n91 h GLY 60 N 0.67 1.02 1.83 0.83 0.00 -0.54 0.44 103.07 107.33 1n91 h GLY 60 Ca -0.30 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.36 1n91 h GLY 60 CO 0.20 0.42 -1.11 0.07 0.00 0.00 0.00 176.54 176.12 1n91 h LYS 61 N 0.97 0.07 0.04 4.80 2.10 -0.59 0.93 116.57 124.88 1n91 h LYS 61 Ca 0.25 -0.12 -0.10 0.00 -2.00 0.00 0.00 60.65 58.68 1n91 h LYS 61 Cb -0.00 0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1n91 h LYS 61 CO -0.04 1.02 -0.43 1.96 -2.00 0.00 0.00 179.45 179.96 1n91 h GLN 62 N 0.02 0.22 0.00 0.07 1.08 -1.02 -3.31 115.11 112.18 1n91 h GLN 62 Ca -0.06 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1n91 h GLN 62 Cb 1.84 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1n91 h GLN 62 CO 0.14 1.05 -0.54 0.74 -0.95 0.00 0.00 178.83 179.28 1n91 h PHE 63 N -0.47 0.00 0.00 2.96 -1.00 -0.26 -3.43 116.94 114.74 1n91 h PHE 63 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1n91 h PHE 63 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1n91 h PHE 63 CO 0.19 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.43 1n91 n ARG 64 N -2.64 -1.01 0.00 1.51 1.74 0.32 -1.73 116.66 114.86 1n91 n ARG 64 Ca 0.02 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1n91 n ARG 64 Cb 0.51 -4.64 0.00 0.00 -1.02 0.00 0.00 32.46 27.31 1n91 n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1n91 n VAL 65 N -1.90 0.00 -3.79 1.55 0.31 -1.25 -4.90 118.33 108.35 1n91 n VAL 65 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1n91 n VAL 65 Cb 0.24 -0.06 -0.08 0.00 -0.91 0.00 0.00 33.84 33.04 1n91 n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n91 s ALA 66 N -2.53 -0.52 0.24 3.52 0.00 -1.26 -5.03 121.76 116.18 1n91 s ALA 66 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 51.96 51.90 1n91 s ALA 66 Cb 0.00 0.34 0.34 0.00 0.00 0.00 0.00 23.12 23.80 1n91 s ALA 66 CO 0.00 -0.41 1.60 1.57 0.00 0.00 0.00 175.76 178.51 1n91 h LYS 67 N 3.22 0.00 0.00 0.00 2.10 -1.90 -0.32 116.57 119.67 1n91 h LYS 67 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1n91 h LYS 67 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1n91 h LYS 67 CO 0.48 0.62 0.00 0.43 -2.00 0.00 0.00 179.45 178.98 1n91 n SER 68 N -3.73 0.63 -0.00 7.07 7.64 -1.26 -2.57 113.62 121.39 1n91 n SER 68 Ca -0.01 0.60 0.09 0.00 1.01 0.00 0.00 58.87 60.55 1n91 n SER 68 Cb 0.63 -0.75 -0.12 0.00 -1.01 0.00 0.00 64.21 62.96 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 -2.13 0.80 -2.87 1.43 1.13 -0.85 -4.81 117.38 110.08 1n91 n GLN 69 Ca 0.04 -0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.58 1n91 n GLN 69 Cb 0.33 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.25 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 4.35 -0.29 5.09 1.01 -0.19 -2.57 120.40 124.79 1n91 s VAL 70 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1n91 s VAL 70 Cb 0.13 -4.68 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1n91 s VAL 70 CO 0.75 -1.44 0.11 -0.69 0.00 0.00 0.00 175.10 173.83 1n91 s VAL 71 N 3.99 4.42 -1.07 2.92 1.01 -0.52 -4.86 120.40 126.28 1n91 s VAL 71 Ca 0.22 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1n91 s VAL 71 Cb -0.17 -3.19 0.13 0.00 0.00 0.00 0.00 36.38 33.15 1n91 s VAL 71 CO 0.10 0.16 1.32 -0.63 0.00 0.00 0.00 175.10 176.05 1n91 s ILE 72 N 1.60 4.71 -2.00 2.22 1.01 -1.26 0.55 121.20 128.03 1n91 s ILE 72 Ca 0.05 -1.93 0.06 0.00 0.00 0.00 0.00 60.65 58.83 1n91 s ILE 72 Cb -0.16 -4.89 0.16 0.00 0.01 0.00 0.00 42.46 37.58 1n91 s ILE 72 CO 0.05 -1.64 0.75 -0.62 0.00 0.00 0.00 174.94 173.48 1n91 n GLU 73 N 6.59 0.38 0.00 2.79 1.02 -0.42 -4.72 120.64 126.29 1n91 n GLU 73 Ca 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1n91 n GLU 73 Cb 0.47 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.74 0.00 0.00 3.49 5.02 -1.24 -4.94 118.16 119.75 1n91 n LYS 74 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1n91 n LYS 74 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 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 -0.88 1.28 0.24 0.72 0.00 -1.25 -0.24 105.19 105.07 1n91 n GLY 75 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.06 0.00 1.61 1.02 -1.26 -3.50 120.64 118.45 1n91 n GLU 76 Ca 0.00 1.04 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 1n91 n GLU 76 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 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 -4.96 1.35 -4.71 -4.62 7.94 -1.26 -4.14 117.00 106.59 1n91 n LEU 77 Ca 0.15 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.70 1n91 n LEU 77 Cb 0.50 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.54 1n91 n LEU 77 CO -0.06 0.17 0.84 0.61 -1.11 0.00 0.00 177.39 177.84 1n91 n GLY 78 N 2.82 0.32 0.24 -3.96 0.00 -1.23 -4.89 105.19 98.49 1n91 n GLY 78 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 0.07 0.00 -7.26 1.61 3.08 -1.85 -3.42 114.38 106.61 1n91 h ARG 79 Ca -0.49 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.04 1n91 h ARG 79 Cb 1.33 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.51 1n91 h ARG 79 CO 0.51 0.14 0.33 -1.01 -1.07 0.00 0.00 179.97 178.87 1n91 s HIS 80 N -4.66 2.43 -0.09 3.04 0.09 -1.26 0.77 115.29 115.62 1n91 s HIS 80 Ca -0.04 1.59 -0.24 0.00 -0.00 0.00 0.00 55.06 56.37 1n91 s HIS 80 Cb 0.16 -3.16 0.05 0.00 -0.00 0.00 0.00 32.58 29.63 1n91 s HIS 80 CO 0.68 -1.95 0.55 0.21 -0.00 0.00 0.00 174.74 174.23 1n91 s LYS 81 N -4.52 0.85 -0.20 1.40 2.20 0.01 -3.76 119.74 115.72 1n91 s LYS 81 Ca 0.65 0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 56.51 1n91 s LYS 81 Cb -0.20 0.40 0.10 0.00 -1.51 0.00 0.00 37.83 36.62 1n91 s LYS 81 CO 0.50 -0.22 0.27 -0.65 -0.36 0.00 0.00 175.35 174.90 1n91 s GLN 82 N -0.82 0.23 -0.07 4.03 -0.21 0.67 -1.36 119.66 122.13 1n91 s GLN 82 Ca -0.09 0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1n91 s GLN 82 Cb -0.03 -0.81 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 1n91 s GLN 82 CO 0.06 -0.59 -0.05 0.42 -2.12 0.00 0.00 175.29 173.00 1n91 s ILE 83 N 2.40 3.84 -0.32 1.08 -1.09 0.22 -1.29 121.20 126.03 1n91 s ILE 83 Ca 0.08 -0.44 -0.06 0.00 -2.23 0.00 0.00 60.65 58.00 1n91 s ILE 83 Cb -0.15 -2.58 0.03 0.00 -1.58 0.00 0.00 42.46 38.18 1n91 s ILE 83 CO -0.13 0.59 0.08 -0.75 -1.23 0.00 0.00 174.94 173.51 1n91 s LYS 84 N -0.85 2.75 -0.58 2.79 2.36 0.19 0.91 119.74 127.32 1n91 s LYS 84 Ca 0.13 -1.09 -0.18 0.00 -2.55 0.00 0.00 55.97 52.28 1n91 s LYS 84 Cb -0.11 -3.39 0.11 0.00 -1.05 0.00 0.00 37.83 33.39 1n91 s LYS 84 CO 0.02 -0.59 0.64 0.42 1.55 0.00 0.00 175.35 177.39 1n91 s ILE 85 N 1.42 4.95 0.31 5.43 1.09 0.22 -1.43 121.20 133.18 1n91 s ILE 85 Ca -0.01 -1.18 -0.17 0.00 -1.10 0.00 0.00 60.65 58.20 1n91 s ILE 85 Cb -0.19 -4.44 -0.09 0.00 -1.06 0.00 0.00 42.46 36.68 1n91 s ILE 85 CO 0.02 -1.04 0.75 -0.63 -0.10 0.00 0.00 174.94 173.94 1n91 s ILE 86 N 2.31 4.62 -1.21 2.92 1.01 -1.06 -2.45 121.20 127.33 1n91 s ILE 86 Ca 0.09 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 61.59 1n91 s ILE 86 Cb -0.26 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1n91 s ILE 86 CO 0.05 -0.10 0.68 -3.20 0.00 0.00 0.00 174.94 172.37 1n91 n ASN 87 N -0.13 -4.04 -4.58 3.58 4.05 -1.11 -4.77 115.26 108.26 1n91 n ASN 87 Ca 0.02 -1.12 -0.54 0.00 0.45 0.00 0.00 54.58 53.39 1n91 n ASN 87 Cb 0.53 -2.69 -0.07 0.00 1.23 0.00 0.00 39.78 38.78 1n91 n ASN 87 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1n91 n PRO 88 N -4.53 0.85 -0.05 1.20 -0.04 -1.26 -4.88 135.00 126.29 1n91 n PRO 88 Ca -0.13 0.31 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1n91 n PRO 88 Cb 0.60 -1.91 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 1n91 n PRO 88 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1n91 n GLN 89 N 2.46 2.29 -3.67 0.54 -0.06 -1.26 -4.97 117.38 112.71 1n91 n GLN 89 Ca 0.19 -0.01 -0.13 0.00 -2.00 0.00 0.00 57.00 55.06 1n91 n GLN 89 Cb 0.16 -1.27 -0.13 0.00 -4.06 0.00 0.00 30.24 24.94 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 -2.25 0.18 -0.28 3.69 0.74 -0.71 -5.00 119.66 116.03 1n91 s GLN 90 Ca -0.05 0.76 -0.04 0.00 0.05 0.00 0.00 55.36 56.08 1n91 s GLN 90 Cb 0.03 0.00 0.03 0.00 1.10 0.00 0.00 33.01 34.17 1n91 s GLN 90 CO 0.43 -0.26 0.01 -1.50 -0.55 0.00 0.00 175.29 173.42 1n91 s ILE 91 N 2.26 3.34 0.74 -2.34 2.07 -1.26 -4.22 121.20 121.79 1n91 s ILE 91 Ca -0.01 -1.01 -0.12 0.00 -1.41 0.00 0.00 60.65 58.10 1n91 s ILE 91 Cb -0.12 -2.77 0.04 0.00 0.13 0.00 0.00 42.46 39.74 1n91 s ILE 91 CO -0.09 0.05 1.11 -2.84 -1.91 0.00 0.00 174.94 171.26 1n91 s PRO 92 N 1.37 2.35 0.57 3.50 0.02 -1.26 -4.78 135.00 136.77 1n91 s PRO 92 Ca -0.00 1.32 0.29 0.00 0.02 0.00 0.00 61.00 62.63 1n91 s PRO 92 Cb -0.18 -1.90 1.46 0.00 0.02 0.00 0.00 34.50 33.90 1n91 s PRO 92 CO -0.01 -1.59 1.89 -1.00 -0.33 0.00 0.00 177.00 175.97 1n91 h PRO 93 N -0.70 0.00 0.35 5.54 0.13 -1.99 -1.46 132.00 133.87 1n91 h PRO 93 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1n91 h PRO 93 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1n91 h PRO 93 CO 0.51 0.00 -0.49 1.49 -0.23 0.00 0.00 178.00 179.28 1n91 h GLU 94 N 0.00 -0.86 0.00 0.86 4.81 -1.99 1.12 114.58 118.52 1n91 h GLU 94 Ca 0.30 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1n91 h GLU 94 Cb 1.39 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 1n91 h GLU 94 CO -0.00 -0.57 -0.07 0.28 -0.73 0.00 0.00 179.01 177.91 1n91 h VAL 95 N -0.89 0.14 -0.00 0.32 2.07 -1.79 -3.07 116.25 113.03 1n91 h VAL 95 Ca -0.04 -1.01 -0.18 0.00 0.82 0.00 0.00 66.70 66.29 1n91 h VAL 95 Cb 0.81 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1n91 h VAL 95 CO -0.14 0.07 -0.82 0.00 0.02 0.00 0.00 177.57 176.70 1n91 h ALA 96 N 1.93 0.62 0.00 1.67 0.00 -0.61 -2.42 119.26 120.44 1n91 h ALA 96 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1n91 h ALA 96 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1n91 h ALA 96 CO 0.01 0.93 0.00 0.00 0.00 0.00 0.00 179.25 180.19 1n91 h ALA 97 N 1.08 1.00 0.00 0.00 0.00 0.14 0.96 119.26 122.44 1n91 h ALA 97 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1n91 h ALA 97 Cb 1.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1n91 h ALA 97 CO 0.12 0.00 -1.93 1.28 0.00 0.00 0.00 179.25 178.72 1n91 n LEU 98 N -3.04 0.00 -0.09 0.00 4.77 -1.16 -4.23 117.00 113.24 1n91 n LEU 98 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1n91 n LEU 98 Cb 0.20 0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.19 1n91 n LEU 98 CO 0.24 0.05 -1.12 -0.38 -1.33 0.00 0.00 177.39 174.85 1n91 n ILE 99 N -2.23 1.44 0.53 -0.08 5.41 -0.92 -4.17 119.36 119.34 1n91 n ILE 99 Ca -0.06 -0.80 0.10 0.00 1.00 0.00 0.00 62.75 62.99 1n91 n ILE 99 Cb 0.57 -0.71 0.42 0.00 -0.71 0.00 0.00 39.64 39.22 1n91 n ILE 99 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1n91 n ASN 100 N -2.88 0.34 0.00 4.38 5.03 0.33 -4.88 115.26 117.57 1n91 n ASN 100 Ca -0.33 0.57 0.00 0.00 0.87 0.00 0.00 54.58 55.69 1n91 n ASN 100 Cb 1.12 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 1n91 n ASN 100 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1n91 n LEU 101 N -1.86 0.00 0.00 3.41 7.94 -1.26 -4.87 117.00 120.37 1n91 n LEU 101 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1n91 n LEU 101 Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1n91 n LEU 101 CO 0.19 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.85 1n91 n GLU 102 N 0.00 0.00 -1.22 1.96 -0.58 -1.26 -4.69 120.64 114.85 1n91 n GLU 102 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1n91 n GLU 102 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1n91 n GLU 102 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1n91 n HIS 103 N 0.00 -0.28 -1.59 -0.32 -0.00 -1.26 -4.91 115.22 106.85 1n91 n HIS 103 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 1n91 n HIS 103 Cb 0.00 -2.33 0.11 0.00 -0.12 0.00 0.00 29.99 27.65 1n91 n HIS 103 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1n91 s HIS 104 N -1.79 2.72 1.38 1.57 5.04 -1.26 -5.05 115.29 117.90 1n91 s HIS 104 Ca 0.00 0.97 -0.22 0.00 -1.54 0.00 0.00 55.06 54.27 1n91 s HIS 104 Cb 0.00 -3.28 0.35 0.00 0.04 0.00 0.00 32.58 29.69 1n91 s HIS 104 CO 0.00 -2.02 0.98 -1.01 -2.34 0.00 0.00 174.74 170.35 1n91 s HIS 105 N -3.26 -0.46 0.00 3.88 3.76 -1.26 -5.07 115.29 112.88 1n91 s HIS 105 Ca 0.62 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 1n91 s HIS 105 Cb -0.14 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1n91 s HIS 105 CO 0.53 -4.77 0.00 1.58 -0.85 0.00 0.00 174.74 171.23 1n91 n HIS 106 N -5.45 0.00 -2.83 1.40 -0.00 -1.26 -5.09 115.22 101.98 1n91 n HIS 106 Ca 0.13 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.21 1n91 n HIS 106 Cb 0.60 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.50 1n91 n HIS 106 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1n91 n HIS 107 N 0.00 -2.87 1.24 1.57 -0.00 -1.26 -5.29 115.22 108.62 1n91 n HIS 107 Ca 0.00 -2.04 0.10 0.00 -0.00 0.00 0.00 57.72 55.78 1n91 n HIS 107 Cb 0.00 1.23 0.59 0.00 -0.00 0.00 0.00 29.99 31.81 1n91 n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92