#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 -0.37 0.00 7.83 5.68 -1.26 -5.02 116.55 123.42 1n91 n ASP 2 Ca 0.00 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1n91 n ASP 2 Cb 0.00 0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1n91 n ASP 2 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n91 n GLY 3 N -1.26 1.55 3.56 6.12 0.00 -1.26 -4.45 105.19 109.44 1n91 n GLY 3 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 -6.32 -2.08 1.61 0.31 -1.26 -3.96 118.33 104.62 1n91 n VAL 4 Ca 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1n91 n VAL 4 Cb 0.00 -4.65 0.00 0.00 -0.91 0.00 0.00 33.84 28.28 1n91 n VAL 4 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1n91 n MET 5 N -3.22 -0.55 -1.67 5.55 0.00 -1.26 -4.99 117.12 110.98 1n91 n MET 5 Ca -0.13 0.66 0.00 0.00 0.00 0.00 0.00 57.70 58.24 1n91 n MET 5 Cb 0.59 -0.57 0.00 0.00 0.00 0.00 0.00 33.22 33.25 1n91 n MET 5 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1n91 n SER 6 N 1.72 1.56 0.00 3.17 3.41 -1.17 -4.92 113.62 117.40 1n91 n SER 6 Ca 0.00 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1n91 n SER 6 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1n91 n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n91 n ALA 7 N -3.00 0.00 -3.41 7.33 0.00 -1.26 -3.82 120.51 116.35 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 0.01 -0.05 0.00 0.11 -1.26 0.78 120.40 119.98 1n91 s VAL 8 Ca 0.00 -0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 58.94 1n91 s VAL 8 Cb 0.00 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1n91 s VAL 8 CO 0.00 -0.03 0.16 -0.89 -3.33 0.00 0.00 175.10 171.01 1n91 s THR 9 N -3.18 0.02 -0.45 5.04 2.01 -1.12 -4.93 115.64 113.02 1n91 s THR 9 Ca -0.02 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1n91 s THR 9 Cb -0.01 -0.27 0.11 0.00 0.01 0.00 0.00 72.50 72.34 1n91 s THR 9 CO -0.08 -0.07 0.31 0.68 -0.69 0.00 0.00 174.62 174.78 1n91 s VAL 10 N -0.18 4.16 0.00 3.82 -7.23 -1.26 0.87 120.40 120.58 1n91 s VAL 10 Ca -0.03 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1n91 s VAL 10 Cb -0.02 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1n91 s VAL 10 CO 0.00 -0.70 0.00 0.59 -0.31 0.00 0.00 175.10 174.69 1n91 n ASN 11 N 4.89 0.00 -0.87 4.85 3.02 -0.87 -4.97 115.26 121.31 1n91 n ASN 11 Ca -0.08 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.54 1n91 n ASN 11 Cb 0.41 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.79 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 3.30 0.00 6.41 8.00 -1.26 -4.34 116.55 128.66 1n91 n ASP 12 Ca 0.00 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1n91 n ASP 12 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 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 0.80 4.29 0.00 -2.24 2.03 -1.26 -5.11 116.55 115.06 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 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.54 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 2.41 -0.52 3.17 0.27 0.00 -1.26 -2.99 105.19 106.28 1n91 n GLY 14 Ca 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 1.63 -0.08 0.99 2.34 -1.07 -2.05 118.68 120.43 1n91 s LEU 15 Ca 0.00 -0.66 -0.00 0.00 0.06 0.00 0.00 54.13 53.53 1n91 s LEU 15 Cb 0.00 0.84 -0.03 0.00 -0.56 0.00 0.00 46.19 46.45 1n91 s LEU 15 CO 0.00 -0.66 -0.06 -0.69 -1.06 0.00 0.00 176.35 173.88 1n91 s VAL 16 N -3.56 3.77 -0.56 1.48 1.01 0.25 -1.28 120.40 121.51 1n91 s VAL 16 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1n91 s VAL 16 Cb 0.04 -2.56 0.14 0.00 0.00 0.00 0.00 36.38 34.01 1n91 s VAL 16 CO -0.09 0.58 0.35 -0.22 0.00 0.00 0.00 175.10 175.72 1n91 s LEU 17 N -0.64 4.88 -0.43 3.92 1.98 0.13 -2.78 118.68 125.73 1n91 s LEU 17 Ca 0.10 -2.85 -0.17 0.00 -2.89 0.00 0.00 54.13 48.32 1n91 s LEU 17 Cb -0.12 -1.76 0.03 0.00 0.66 0.00 0.00 46.19 45.00 1n91 s LEU 17 CO 0.02 -0.33 0.44 -0.13 -1.89 0.00 0.00 176.35 174.46 1n91 s ARG 18 N -0.06 3.08 0.34 1.98 0.52 0.23 -1.39 118.95 123.65 1n91 s ARG 18 Ca 0.16 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 1n91 s ARG 18 Cb -0.22 -3.99 -0.01 0.00 0.52 0.00 0.00 34.95 31.25 1n91 s ARG 18 CO -0.02 -0.89 0.41 -0.48 0.02 0.00 0.00 175.30 174.34 1n91 s LEU 19 N 2.10 1.26 -0.38 2.53 0.05 0.22 -4.51 118.68 119.95 1n91 s LEU 19 Ca 0.11 -1.58 -0.05 0.00 0.05 0.00 0.00 54.13 52.65 1n91 s LEU 19 Cb -0.18 1.17 0.08 0.00 -2.05 0.00 0.00 46.19 45.21 1n91 s LEU 19 CO 0.13 -1.23 0.17 -0.47 -0.55 0.00 0.00 176.35 174.40 1n91 s TYR 20 N -3.15 3.41 0.03 3.48 5.04 0.11 -0.51 117.35 125.75 1n91 s TYR 20 Ca 0.34 -1.91 -0.30 0.00 -2.44 0.00 0.00 57.07 52.75 1n91 s TYR 20 Cb 0.00 -2.82 -0.06 0.00 0.35 0.00 0.00 41.96 39.44 1n91 s TYR 20 CO 0.23 -0.87 1.38 0.42 -1.34 0.00 0.00 175.55 175.36 1n91 s ILE 21 N 1.28 3.65 -0.54 3.14 -1.09 0.33 -2.79 121.20 125.18 1n91 s ILE 21 Ca 0.03 1.10 0.04 0.00 -2.23 0.00 0.00 60.65 59.58 1n91 s ILE 21 Cb -0.22 -3.70 0.15 0.00 -1.58 0.00 0.00 42.46 37.10 1n91 s ILE 21 CO -0.01 0.03 0.33 -1.58 -1.23 0.00 0.00 174.94 172.48 1n91 s GLN 22 N 1.98 1.84 0.72 2.79 -0.44 -0.23 -4.71 119.66 121.62 1n91 s GLN 22 Ca 0.63 -2.63 -0.11 0.00 -2.50 0.00 0.00 55.36 50.76 1n91 s GLN 22 Cb -0.32 -2.92 0.02 0.00 -1.64 0.00 0.00 33.01 28.15 1n91 s GLN 22 CO 0.28 -1.20 1.07 -2.14 0.50 0.00 0.00 175.29 173.80 1n91 s PRO 23 N -0.43 2.70 -0.40 1.67 0.02 -1.26 -1.73 135.00 135.57 1n91 s PRO 23 Ca 0.21 0.89 -0.02 0.00 0.02 0.00 0.00 61.00 62.10 1n91 s PRO 23 Cb -0.17 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1n91 s PRO 23 CO -0.07 -1.25 0.34 1.63 -0.33 0.00 0.00 177.00 177.33 1n91 n LYS 24 N -3.22 -2.31 0.00 5.54 5.02 -0.79 -4.87 118.16 117.53 1n91 n LYS 24 Ca 0.07 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1n91 n LYS 24 Cb 0.54 -3.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 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 -2.81 0.00 0.00 7.82 0.00 -1.13 -5.03 120.51 119.35 1n91 n ALA 25 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1n91 n ALA 25 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1n91 n ALA 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n91 n SER 26 N -2.16 0.00 -3.63 0.00 3.41 -1.26 -5.07 113.62 104.92 1n91 n SER 26 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1n91 n SER 26 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1n91 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n91 s ARG 27 N 0.00 0.38 -0.84 4.33 1.70 -1.26 -4.91 118.95 118.35 1n91 s ARG 27 Ca 0.00 0.32 -0.26 0.00 -0.47 0.00 0.00 55.73 55.32 1n91 s ARG 27 Cb 0.00 0.18 -0.11 0.00 -0.57 0.00 0.00 34.95 34.45 1n91 s ARG 27 CO 0.00 -0.07 2.26 0.16 -1.08 0.00 0.00 175.30 176.57 1n91 s ASP 28 N -0.23 4.24 -0.07 -2.89 -4.77 -1.21 -4.44 116.67 107.29 1n91 s ASP 28 Ca 0.04 -0.21 0.01 0.00 -3.30 0.00 0.00 52.55 49.09 1n91 s ASP 28 Cb -0.04 -2.55 0.02 0.00 -1.09 0.00 0.00 42.92 39.26 1n91 s ASP 28 CO -0.07 -3.58 -0.09 -0.44 0.70 0.00 0.00 175.17 171.70 1n91 s SER 29 N 9.96 1.62 -1.46 2.11 0.01 -0.17 -4.99 113.70 120.80 1n91 s SER 29 Ca 0.86 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.77 1n91 s SER 29 Cb -0.11 -0.71 0.04 0.00 0.21 0.00 0.00 66.02 65.45 1n91 s SER 29 CO 0.06 -0.03 2.40 2.30 0.41 0.00 0.00 173.24 178.38 1n91 n ILE 30 N 4.18 4.14 -0.22 1.44 -5.35 -1.26 -1.60 119.36 120.68 1n91 n ILE 30 Ca -0.20 -3.34 0.06 0.00 -0.27 0.00 0.00 62.75 58.99 1n91 n ILE 30 Cb 0.51 -2.49 0.28 0.00 -1.74 0.00 0.00 39.64 36.20 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 1.74 -2.78 7.28 0.24 -1.26 -4.18 118.33 123.19 1n91 n VAL 31 Ca 0.59 -0.94 -0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1n91 n VAL 31 Cb 0.32 -0.23 0.06 0.00 -1.47 0.00 0.00 33.84 32.52 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 0.60 1.75 3.65 7.63 0.00 -0.77 -5.05 105.19 112.98 1n91 n GLY 32 Ca 0.19 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.53 4.02 0.23 0.99 1.43 -1.23 0.12 118.68 120.71 1n91 s LEU 33 Ca 0.25 1.32 0.06 0.00 -1.03 0.00 0.00 54.13 54.72 1n91 s LEU 33 Cb 0.34 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1n91 s LEU 33 CO -0.06 -0.86 0.29 -2.28 0.23 0.00 0.00 176.35 173.67 1n91 s HIS 34 N 3.70 3.32 -0.11 0.29 2.46 0.61 -4.90 115.29 120.67 1n91 s HIS 34 Ca 0.50 -0.04 0.30 0.00 0.47 0.00 0.00 55.06 56.29 1n91 s HIS 34 Cb -0.16 -1.52 1.02 0.00 -0.13 0.00 0.00 32.58 31.80 1n91 s HIS 34 CO 0.15 0.48 1.85 0.78 -2.47 0.00 0.00 174.74 175.53 1n91 h GLY 35 N 1.40 0.00 0.00 1.59 0.00 -1.96 -3.16 103.07 100.94 1n91 h GLY 35 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1n91 h GLY 35 CO 0.61 0.00 -0.61 1.22 0.00 0.00 0.00 176.54 177.77 1n91 n ASP 36 N -3.04 1.74 -2.38 0.19 9.92 -1.26 -4.75 116.55 116.97 1n91 n ASP 36 Ca 0.02 -0.36 -0.11 0.00 -0.53 0.00 0.00 54.79 53.81 1n91 n ASP 36 Cb 0.37 1.08 -0.04 0.00 -0.64 0.00 0.00 41.12 41.90 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 -1.32 0.34 -3.67 -1.24 1.02 -1.19 -3.02 120.64 111.55 1n91 n GLU 37 Ca 0.00 -2.01 -0.16 0.00 -0.02 0.00 0.00 57.16 54.98 1n91 n GLU 37 Cb 0.09 1.75 -0.15 0.00 -0.02 0.00 0.00 31.44 33.11 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 -2.79 -0.27 -0.18 2.62 1.01 -1.26 -0.29 120.40 119.24 1n91 s VAL 38 Ca 0.23 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.54 1n91 s VAL 38 Cb 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 36.09 1n91 s VAL 38 CO 0.16 0.13 -0.17 -0.75 0.00 0.00 0.00 175.10 174.48 1n91 s LYS 39 N 2.19 2.67 -0.09 2.72 2.20 0.12 0.09 119.74 129.65 1n91 s LYS 39 Ca 0.01 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1n91 s LYS 39 Cb -0.12 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1n91 s LYS 39 CO -0.06 -0.27 -0.12 0.54 -0.36 0.00 0.00 175.35 175.07 1n91 s VAL 40 N 1.32 3.17 -0.48 4.02 0.11 -1.12 -1.85 120.40 125.58 1n91 s VAL 40 Ca 0.03 -0.65 -0.16 0.00 -2.93 0.00 0.00 61.98 58.28 1n91 s VAL 40 Cb -0.14 -2.30 0.08 0.00 -1.53 0.00 0.00 36.38 32.49 1n91 s VAL 40 CO -0.11 0.56 0.40 0.00 -3.33 0.00 0.00 175.10 172.62 1n91 s ALA 41 N -0.20 3.57 0.18 1.54 0.00 -0.63 -1.07 121.76 125.15 1n91 s ALA 41 Ca 0.01 -2.15 0.03 0.00 0.00 0.00 0.00 51.96 49.85 1n91 s ALA 41 Cb -0.13 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1n91 s ALA 41 CO 0.03 -1.75 0.32 -1.50 0.00 0.00 0.00 175.76 172.86 1n91 s ILE 42 N 1.64 5.29 -0.36 0.00 1.10 -0.71 -0.99 121.20 127.16 1n91 s ILE 42 Ca 0.04 -0.70 0.05 0.00 -0.51 0.00 0.00 60.65 59.52 1n91 s ILE 42 Cb -0.25 -3.77 0.48 0.00 0.15 0.00 0.00 42.46 39.07 1n91 s ILE 42 CO 0.06 -0.17 1.52 1.07 -2.11 0.00 0.00 174.94 175.31 1n91 n THR 43 N -0.80 2.26 -3.05 4.00 5.66 -1.26 -1.88 114.28 119.21 1n91 n THR 43 Ca -0.07 -1.16 -0.20 0.00 -3.05 0.00 0.00 64.05 59.57 1n91 n THR 43 Cb 0.55 -0.55 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 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 -2.18 4.13 1.00 1.79 0.00 -1.26 -4.75 121.76 120.50 1n91 s ALA 44 Ca 0.37 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.77 1n91 s ALA 44 Cb 0.30 -1.86 0.21 0.00 0.00 0.00 0.00 23.12 21.78 1n91 s ALA 44 CO 0.08 -0.34 1.28 -2.14 0.00 0.00 0.00 175.76 174.64 1n91 s PRO 45 N -4.44 0.33 0.00 0.00 0.02 -1.26 -2.16 135.00 127.48 1n91 s PRO 45 Ca 0.51 -0.32 0.26 0.00 0.02 0.00 0.00 61.00 61.47 1n91 s PRO 45 Cb -0.10 -1.80 1.55 0.00 0.02 0.00 0.00 34.50 34.17 1n91 s PRO 45 CO 0.35 -2.64 1.93 -0.35 -0.33 0.00 0.00 177.00 175.96 1n91 n PRO 46 N -3.95 0.87 -3.25 5.54 -0.05 -1.26 -4.49 135.00 128.42 1n91 n PRO 46 Ca 0.14 0.00 -0.24 0.00 -0.05 0.00 0.00 63.50 63.35 1n91 n PRO 46 Cb 0.59 -1.46 -0.01 0.00 -0.05 0.00 0.00 33.50 32.57 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 5.03 -0.11 0.52 -7.23 -1.26 -5.03 120.40 110.32 1n91 s VAL 47 Ca 0.39 -0.36 -0.24 0.00 -1.81 0.00 0.00 61.98 59.96 1n91 s VAL 47 Cb 0.18 -3.85 -0.27 0.00 0.56 0.00 0.00 36.38 33.00 1n91 s VAL 47 CO 0.30 -0.60 0.70 0.44 -0.31 0.00 0.00 175.10 175.63 1n91 h ASP 48 N 0.65 0.20 -0.90 4.85 3.32 -1.88 -2.29 116.42 120.39 1n91 h ASP 48 Ca -0.49 -0.90 0.23 0.00 0.02 0.00 0.00 57.03 55.89 1n91 h ASP 48 Cb 1.22 -0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.54 1n91 h ASP 48 CO 0.61 1.28 0.04 1.23 -1.72 0.00 0.00 179.24 180.68 1n91 h GLY 49 N -0.64 1.10 0.02 2.75 0.00 -1.96 1.64 103.07 105.99 1n91 h GLY 49 Ca -0.14 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1n91 h GLY 49 CO 0.03 -0.41 -0.22 1.46 0.00 0.00 0.00 176.54 177.40 1n91 h GLN 50 N 0.07 0.01 0.65 4.80 7.50 -1.94 -3.05 115.11 123.15 1n91 h GLN 50 Ca 0.52 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.63 1n91 h GLN 50 Cb 1.02 0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.56 1n91 h GLN 50 CO -0.81 1.01 -0.31 0.00 -1.50 0.00 0.00 178.83 177.22 1n91 h ALA 51 N -0.07 -0.87 -0.81 3.87 0.00 -0.76 -2.72 119.26 117.90 1n91 h ALA 51 Ca -0.06 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.85 1n91 h ALA 51 Cb 1.07 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 1n91 h ALA 51 CO -0.03 -0.98 0.10 -0.97 0.00 0.00 0.00 179.25 177.38 1n91 h ASN 52 N -0.90 -0.20 -0.59 0.00 -0.73 0.22 0.43 115.58 113.82 1n91 h ASN 52 Ca -0.09 0.19 0.12 0.00 1.87 0.00 0.00 56.30 58.39 1n91 h ASN 52 Cb 0.68 0.31 -0.10 0.00 0.27 0.00 0.00 38.32 39.48 1n91 h ASN 52 CO 0.15 -0.16 0.01 0.77 -0.37 0.00 0.00 177.43 177.83 1n91 h SER 53 N 0.15 -0.23 -0.36 1.15 4.64 -1.37 0.10 113.55 117.63 1n91 h SER 53 Ca 0.47 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.91 1n91 h SER 53 Cb 0.87 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1n91 h SER 53 CO -0.66 -0.09 0.15 1.12 -0.87 0.00 0.00 176.83 176.48 1n91 h HIS 54 N 0.13 0.54 -0.06 4.77 2.07 0.00 -2.29 115.15 120.31 1n91 h HIS 54 Ca 0.30 -0.04 0.02 0.00 -2.85 0.00 0.00 60.37 57.81 1n91 h HIS 54 Cb 0.48 -0.16 -0.05 0.00 2.57 0.00 0.00 27.41 30.24 1n91 h HIS 54 CO -0.34 0.49 -0.49 1.25 -3.07 0.00 0.00 177.93 175.76 1n91 h LEU 55 N 0.44 -1.55 -2.02 6.12 7.12 0.14 1.36 115.31 126.92 1n91 h LEU 55 Ca 0.12 0.18 0.12 0.00 0.13 0.00 0.00 57.88 58.43 1n91 h LEU 55 Cb 0.17 0.59 -0.02 0.00 -0.53 0.00 0.00 40.66 40.88 1n91 h LEU 55 CO -0.01 -0.46 0.41 1.62 -0.13 0.00 0.00 178.44 179.86 1n91 h VAL 56 N -0.57 0.45 0.00 1.05 3.04 -0.91 -2.55 116.25 116.76 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 0.64 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1n91 h VAL 56 CO -0.36 0.00 0.00 1.17 -1.01 0.00 0.00 177.57 177.37 1n91 n LYS 57 N -3.85 0.00 -0.17 4.17 4.81 0.15 -1.98 118.16 121.29 1n91 n LYS 57 Ca 0.07 0.33 -0.05 0.00 -0.87 0.00 0.00 58.31 57.80 1n91 n LYS 57 Cb 0.59 -0.81 -0.04 0.00 0.02 0.00 0.00 35.03 34.78 1n91 n LYS 57 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1n91 n PHE 58 N -1.67 -0.18 -0.15 5.64 7.35 0.42 0.13 117.46 128.99 1n91 n PHE 58 Ca 0.00 0.51 -0.05 0.00 -0.76 0.00 0.00 57.45 57.15 1n91 n PHE 58 Cb 0.00 -0.47 0.13 0.00 0.35 0.00 0.00 39.48 39.49 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 0.86 -0.89 -2.13 -0.00 -1.67 0.19 115.31 111.67 1n91 h LEU 59 Ca 0.07 -0.20 0.10 0.00 -0.00 0.00 0.00 57.88 57.84 1n91 h LEU 59 Cb 0.17 -0.23 -0.08 0.00 -0.00 0.00 0.00 40.66 40.52 1n91 h LEU 59 CO -0.38 0.89 0.53 1.23 -0.00 0.00 0.00 178.44 180.71 1n91 h GLY 60 N 1.00 1.40 0.00 0.83 0.00 0.17 0.84 103.07 107.31 1n91 h GLY 60 Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1n91 h GLY 60 CO 0.01 0.15 -0.12 0.50 0.00 0.00 0.00 176.54 177.09 1n91 h LYS 61 N 0.88 0.00 -0.22 4.80 1.57 0.76 0.27 116.57 124.62 1n91 h LYS 61 Ca 0.43 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.25 1n91 h LYS 61 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1n91 h LYS 61 CO -0.25 0.75 -0.03 1.96 -0.57 0.00 0.00 179.45 181.31 1n91 h GLN 62 N -1.00 0.03 0.00 3.15 1.08 -0.49 -2.64 115.11 115.24 1n91 h GLN 62 Ca -0.03 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1n91 h GLN 62 Cb 0.79 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1n91 h GLN 62 CO -0.02 0.02 -0.68 0.74 -0.95 0.00 0.00 178.83 177.94 1n91 h PHE 63 N 0.03 0.00 0.00 2.96 -1.00 0.54 -3.44 116.94 116.04 1n91 h PHE 63 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1n91 h PHE 63 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1n91 h PHE 63 CO -0.21 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.03 1n91 n ARG 64 N -2.67 -0.82 -2.40 1.51 1.74 0.08 -2.83 116.66 111.27 1n91 n ARG 64 Ca 0.02 0.20 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 1n91 n ARG 64 Cb 0.52 -4.70 -0.03 0.00 -1.02 0.00 0.00 32.46 27.24 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 -1.00 4.01 0.91 1.55 -7.23 -1.25 -4.93 120.40 112.48 1n91 s VAL 65 Ca 0.00 1.10 -0.14 0.00 -1.81 0.00 0.00 61.98 61.13 1n91 s VAL 65 Cb 0.00 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 1n91 s VAL 65 CO 0.00 -0.42 0.11 0.00 -0.31 0.00 0.00 175.10 174.48 1n91 n ALA 66 N -1.37 -3.17 0.16 1.32 0.00 -1.26 -4.72 120.51 111.46 1n91 n ALA 66 Ca 0.08 -0.56 0.01 0.00 0.00 0.00 0.00 53.44 52.97 1n91 n ALA 66 Cb 0.53 -1.63 0.25 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.19 0.00 0.00 0.00 5.09 -1.94 -1.89 116.57 116.64 1n91 h LYS 67 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.30 1n91 h LYS 67 Cb 1.30 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.63 1n91 h LYS 67 CO 0.33 0.51 0.00 0.45 -2.09 0.00 0.00 179.45 178.65 1n91 n SER 68 N -3.87 0.64 -0.18 7.07 2.88 -1.26 -2.44 113.62 116.46 1n91 n SER 68 Ca -0.01 0.58 0.13 0.00 -1.33 0.00 0.00 58.87 58.24 1n91 n SER 68 Cb 0.53 -0.74 0.36 0.00 -0.75 0.00 0.00 64.21 63.60 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 -2.12 0.62 -3.52 -1.46 3.00 -0.72 -4.64 117.38 108.53 1n91 n GLN 69 Ca 0.05 -0.36 -0.42 0.00 -0.01 0.00 0.00 57.00 56.26 1n91 n GLN 69 Cb 0.36 -1.49 -0.07 0.00 0.00 0.00 0.00 30.24 29.04 1n91 n GLN 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1n91 s VAL 70 N -2.63 4.44 -0.17 5.09 1.01 -1.02 -0.83 120.40 126.28 1n91 s VAL 70 Ca 0.21 -2.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.15 1n91 s VAL 70 Cb 0.19 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1n91 s VAL 70 CO 0.56 -0.84 -0.11 -0.69 0.00 0.00 0.00 175.10 174.02 1n91 s VAL 71 N 1.01 2.98 -0.86 2.92 1.01 -0.97 -4.91 120.40 121.57 1n91 s VAL 71 Ca 0.09 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 1n91 s VAL 71 Cb -0.23 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 33.95 1n91 s VAL 71 CO -0.02 0.49 1.15 -0.63 0.00 0.00 0.00 175.10 176.09 1n91 s ILE 72 N 0.93 4.42 -1.83 2.22 1.01 -1.26 -0.41 121.20 126.28 1n91 s ILE 72 Ca -0.02 -1.00 0.27 0.00 0.00 0.00 0.00 60.65 59.90 1n91 s ILE 72 Cb -0.15 -4.81 0.69 0.00 0.01 0.00 0.00 42.46 38.20 1n91 s ILE 72 CO -0.01 -1.59 1.97 -0.62 0.00 0.00 0.00 174.94 174.69 1n91 n GLU 73 N 7.42 0.72 0.00 2.79 -0.58 -0.89 -4.70 120.64 125.40 1n91 n GLU 73 Ca 0.17 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 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 1.17 -0.48 0.00 0.00 177.13 177.82 1n91 n LYS 74 N -1.08 0.00 0.00 3.49 4.81 -1.25 -5.00 118.16 119.13 1n91 n LYS 74 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1n91 n LYS 74 Cb 0.13 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.18 1n91 n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n91 n GLY 75 N 0.00 0.68 0.00 3.14 0.00 -1.25 0.95 105.19 108.70 1n91 n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.01 1.61 4.71 -1.26 -2.59 120.64 123.10 1n91 n GLU 76 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 1n91 n GLU 76 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 1n91 n GLU 76 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1n91 n LEU 77 N -1.42 2.18 -4.41 -4.62 0.00 -1.26 -4.61 117.00 102.86 1n91 n LEU 77 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1n91 n LEU 77 Cb 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 43.42 43.46 1n91 n LEU 77 CO 0.00 0.39 -0.12 0.61 0.00 0.00 0.00 177.39 178.27 1n91 n GLY 78 N 3.26 -2.02 0.19 -3.96 0.00 -1.07 -4.84 105.19 96.76 1n91 n GLY 78 Ca -0.03 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.09 0.00 -7.22 1.61 3.08 -1.84 -3.44 114.38 105.49 1n91 h ARG 79 Ca -0.44 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.10 1n91 h ARG 79 Cb 1.31 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.47 1n91 h ARG 79 CO 0.37 0.00 0.36 -1.58 -1.07 0.00 0.00 179.97 178.05 1n91 s HIS 80 N -3.49 2.56 -0.14 3.04 2.46 -1.26 0.12 115.29 118.58 1n91 s HIS 80 Ca 0.02 1.56 -0.06 0.00 0.47 0.00 0.00 55.06 57.05 1n91 s HIS 80 Cb 0.09 -3.17 0.06 0.00 -0.13 0.00 0.00 32.58 29.43 1n91 s HIS 80 CO 0.41 -1.78 0.32 0.21 -2.47 0.00 0.00 174.74 171.42 1n91 s LYS 81 N -4.24 0.25 -0.26 2.88 2.20 0.33 -3.97 119.74 116.93 1n91 s LYS 81 Ca 0.66 0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 57.00 1n91 s LYS 81 Cb -0.20 -0.00 0.08 0.00 -1.51 0.00 0.00 37.83 36.20 1n91 s LYS 81 CO 0.45 -0.21 0.05 -1.14 -0.36 0.00 0.00 175.35 174.14 1n91 s GLN 82 N 1.86 0.85 -0.19 4.03 0.74 0.27 -0.61 119.66 126.61 1n91 s GLN 82 Ca -0.05 -0.87 -0.09 0.00 0.05 0.00 0.00 55.36 54.40 1n91 s GLN 82 Cb -0.11 -2.15 -0.04 0.00 1.10 0.00 0.00 33.01 31.81 1n91 s GLN 82 CO -0.10 -0.82 0.09 0.42 -0.55 0.00 0.00 175.29 174.34 1n91 s ILE 83 N 1.64 5.06 -0.52 -2.34 -1.09 -0.49 -2.10 121.20 121.37 1n91 s ILE 83 Ca 0.04 0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.40 1n91 s ILE 83 Cb -0.17 -3.29 0.13 0.00 -1.58 0.00 0.00 42.46 37.54 1n91 s ILE 83 CO -0.16 0.45 0.43 -0.75 -1.23 0.00 0.00 174.94 173.67 1n91 s LYS 84 N 0.40 2.73 -0.74 2.79 2.47 0.45 0.19 119.74 128.03 1n91 s LYS 84 Ca 0.05 -1.79 -0.21 0.00 -1.56 0.00 0.00 55.97 52.46 1n91 s LYS 84 Cb -0.12 -4.09 0.10 0.00 -1.46 0.00 0.00 37.83 32.26 1n91 s LYS 84 CO -0.01 -1.25 0.98 0.42 0.16 0.00 0.00 175.35 175.65 1n91 s ILE 85 N 1.37 4.53 0.32 5.43 1.09 -0.40 -2.30 121.20 131.24 1n91 s ILE 85 Ca 0.05 -0.87 -0.22 0.00 -1.10 0.00 0.00 60.65 58.52 1n91 s ILE 85 Cb -0.27 -4.69 -0.10 0.00 -1.06 0.00 0.00 42.46 36.35 1n91 s ILE 85 CO 0.00 -1.43 0.86 -0.63 -0.10 0.00 0.00 174.94 173.65 1n91 s ILE 86 N 3.40 4.39 -0.61 2.92 1.01 -0.01 -2.60 121.20 129.70 1n91 s ILE 86 Ca 0.24 1.52 -0.13 0.00 0.00 0.00 0.00 60.65 62.28 1n91 s ILE 86 Cb -0.14 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.50 1n91 s ILE 86 CO 0.03 0.04 0.64 -3.20 0.00 0.00 0.00 174.94 172.45 1n91 n ASN 87 N 0.28 -6.77 -4.72 3.58 2.85 -1.16 -4.79 115.26 104.53 1n91 n ASN 87 Ca 0.02 -0.09 -0.42 0.00 -0.11 0.00 0.00 54.58 53.98 1n91 n ASN 87 Cb 0.51 -3.84 -0.03 0.00 1.24 0.00 0.00 39.78 37.67 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 -3.17 4.44 -0.04 1.20 0.02 -1.26 -4.81 135.00 131.39 1n91 s PRO 88 Ca 0.15 1.77 0.05 0.00 0.02 0.00 0.00 61.00 62.99 1n91 s PRO 88 Cb -0.03 -3.34 -0.08 0.00 0.02 0.00 0.00 34.50 31.07 1n91 s PRO 88 CO 0.81 -0.23 0.06 1.04 -0.33 0.00 0.00 177.00 178.35 1n91 n GLN 89 N 3.79 1.95 -3.60 5.54 1.13 -1.26 -4.98 117.38 119.97 1n91 n GLN 89 Ca 0.08 -0.02 -0.16 0.00 -1.94 0.00 0.00 57.00 54.96 1n91 n GLN 89 Cb 0.46 -1.14 -0.14 0.00 0.11 0.00 0.00 30.24 29.54 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 -2.24 0.14 -0.27 -1.09 0.74 -1.13 -5.06 119.66 110.75 1n91 s GLN 90 Ca -0.03 0.50 -0.04 0.00 0.05 0.00 0.00 55.36 55.85 1n91 s GLN 90 Cb 0.02 -0.54 0.02 0.00 1.10 0.00 0.00 33.01 33.62 1n91 s GLN 90 CO 0.23 -0.43 -0.00 -1.50 -0.55 0.00 0.00 175.29 173.04 1n91 s ILE 91 N 2.35 3.30 0.47 -2.34 2.07 -1.26 -4.23 121.20 121.56 1n91 s ILE 91 Ca 0.04 -0.94 -0.23 0.00 -1.41 0.00 0.00 60.65 58.10 1n91 s ILE 91 Cb -0.13 -2.71 -0.07 0.00 0.13 0.00 0.00 42.46 39.67 1n91 s ILE 91 CO -0.09 0.12 1.23 -2.84 -1.91 0.00 0.00 174.94 171.45 1n91 s PRO 92 N 1.38 3.67 0.65 3.50 0.02 -1.26 -4.77 135.00 138.19 1n91 s PRO 92 Ca 0.00 1.94 0.25 0.00 0.02 0.00 0.00 61.00 63.22 1n91 s PRO 92 Cb -0.17 -2.45 1.38 0.00 0.02 0.00 0.00 34.50 33.28 1n91 s PRO 92 CO -0.01 -0.67 1.77 -1.00 -0.33 0.00 0.00 177.00 176.76 1n91 h PRO 93 N 2.06 0.00 0.61 5.54 0.13 -1.99 -0.82 132.00 137.53 1n91 h PRO 93 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1n91 h PRO 93 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1n91 h PRO 93 CO 0.60 0.00 -0.29 1.49 -0.23 0.00 0.00 178.00 179.57 1n91 h GLU 94 N 0.00 -0.79 0.00 0.86 4.57 -1.99 1.50 114.58 118.74 1n91 h GLU 94 Ca 0.00 0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1n91 h GLU 94 Cb 0.83 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1n91 h GLU 94 CO 0.00 -0.50 -0.52 0.28 -1.18 0.00 0.00 179.01 177.09 1n91 h VAL 95 N -0.87 0.91 -0.02 0.32 2.07 -1.67 -3.30 116.25 113.70 1n91 h VAL 95 Ca -0.08 -2.22 -0.14 0.00 0.82 0.00 0.00 66.70 65.07 1n91 h VAL 95 Cb 0.65 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1n91 h VAL 95 CO 0.14 0.51 -0.54 0.00 0.02 0.00 0.00 177.57 177.70 1n91 h ALA 96 N 1.48 0.09 0.00 1.67 0.00 -1.05 -2.80 119.26 118.64 1n91 h ALA 96 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1n91 h ALA 96 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1n91 h ALA 96 CO 0.07 0.32 0.48 0.00 0.00 0.00 0.00 179.25 180.11 1n91 h ALA 97 N 0.34 1.47 0.00 0.00 0.00 0.21 1.22 119.26 122.50 1n91 h ALA 97 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1n91 h ALA 97 Cb 1.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1n91 h ALA 97 CO 0.11 -0.47 -2.07 1.28 0.00 0.00 0.00 179.25 178.10 1n91 n LEU 98 N -2.77 0.00 0.07 0.00 4.77 -1.21 -3.63 117.00 114.24 1n91 n LEU 98 Ca -0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1n91 n LEU 98 Cb 0.51 0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.79 1n91 n LEU 98 CO 0.10 0.24 -0.20 -0.38 -1.33 0.00 0.00 177.39 175.82 1n91 n ILE 99 N -2.44 0.62 0.01 -0.08 5.41 0.13 -4.13 119.36 118.89 1n91 n ILE 99 Ca -0.17 -0.57 0.04 0.00 1.00 0.00 0.00 62.75 63.04 1n91 n ILE 99 Cb 0.82 -0.34 -0.10 0.00 -0.71 0.00 0.00 39.64 39.30 1n91 n ILE 99 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1n91 n ASN 100 N -2.64 0.46 -3.26 4.38 2.04 0.38 -5.03 115.26 111.59 1n91 n ASN 100 Ca -0.03 0.19 -0.08 0.00 -0.44 0.00 0.00 54.58 54.22 1n91 n ASN 100 Cb 0.62 0.90 0.01 0.00 -2.53 0.00 0.00 39.78 38.78 1n91 n ASN 100 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1n91 n LEU 101 N -2.64 -5.47 0.07 -4.53 7.94 -1.24 -4.91 117.00 106.22 1n91 n LEU 101 Ca -0.10 -0.37 0.12 0.00 -1.11 0.00 0.00 56.01 54.56 1n91 n LEU 101 Cb 0.75 -2.92 0.23 0.00 0.53 0.00 0.00 43.42 42.02 1n91 n LEU 101 CO 0.43 -0.61 0.47 -1.84 -1.11 0.00 0.00 177.39 174.73 1n91 n GLU 102 N -2.23 0.27 -1.99 1.96 -0.00 -1.26 -4.80 120.64 112.58 1n91 n GLU 102 Ca -0.08 0.11 -0.43 0.00 -0.00 0.00 0.00 57.16 56.76 1n91 n GLU 102 Cb 0.55 -1.70 -0.03 0.00 -0.00 0.00 0.00 31.44 30.27 1n91 n GLU 102 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1n91 s HIS 103 N -3.14 1.79 -0.28 -1.84 3.76 -1.26 -4.84 115.29 109.47 1n91 s HIS 103 Ca 0.07 0.62 0.11 0.00 -0.15 0.00 0.00 55.06 55.71 1n91 s HIS 103 Cb 0.13 -4.12 0.47 0.00 1.11 0.00 0.00 32.58 30.17 1n91 s HIS 103 CO 0.69 -2.99 1.17 -2.39 -0.85 0.00 0.00 174.74 170.38 1n91 n HIS 104 N 10.33 2.33 -1.60 1.40 1.44 -1.26 -5.03 115.22 122.84 1n91 n HIS 104 Ca 0.23 -2.18 -0.29 0.00 -2.01 0.00 0.00 57.72 53.47 1n91 n HIS 104 Cb 0.47 -0.31 -0.04 0.00 0.12 0.00 0.00 29.99 30.22 1n91 n HIS 104 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1n91 s HIS 105 N -3.63 1.14 0.41 -1.40 3.76 -1.26 -4.90 115.29 109.42 1n91 s HIS 105 Ca 0.45 1.63 0.04 0.00 -0.15 0.00 0.00 55.06 57.03 1n91 s HIS 105 Cb 0.39 -3.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 1n91 s HIS 105 CO 0.02 -2.21 0.05 -3.38 -0.85 0.00 0.00 174.74 168.37 1n91 s HIS 106 N 12.77 2.03 -0.06 1.40 -3.43 -1.26 -5.17 115.29 121.57 1n91 s HIS 106 Ca 0.94 -0.96 -0.12 0.00 -0.80 0.00 0.00 55.06 54.11 1n91 s HIS 106 Cb -0.15 -1.46 0.02 0.00 -1.43 0.00 0.00 32.58 29.56 1n91 s HIS 106 CO 0.20 0.10 0.30 -3.38 -2.00 0.00 0.00 174.74 169.95 1n91 s HIS 107 N -3.03 -0.23 -0.56 0.38 -3.43 -1.26 -5.33 115.29 101.83 1n91 s HIS 107 Ca 0.25 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.99 1n91 s HIS 107 Cb 0.06 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 1n91 s HIS 107 CO 0.13 -0.29 0.14 0.72 -2.00 0.00 0.00 174.74 173.44