#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 0.00 -3.55 7.83 8.00 -1.26 -5.09 116.55 122.48 1n91 n ASP 2 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1n91 n ASP 2 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 1n91 n ASP 2 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1n91 s GLY 3 N 0.00 1.27 0.00 0.44 0.00 -1.26 -4.88 107.32 102.89 1n91 s GLY 3 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 44.72 42.43 1n91 s GLY 3 CO 0.00 1.87 0.00 3.33 0.00 0.00 0.00 173.10 178.30 1n91 n VAL 4 N 3.58 0.00 -2.79 1.40 0.24 -1.26 -5.12 118.33 114.37 1n91 n VAL 4 Ca 0.14 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.44 1n91 n VAL 4 Cb 0.38 -0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.16 -3.07 -1.94 7.34 1.56 -1.26 -5.06 117.12 112.53 1n91 n MET 5 Ca 0.00 2.52 0.00 0.00 -0.27 0.00 0.00 57.70 59.95 1n91 n MET 5 Cb 0.00 -4.51 0.00 0.00 2.15 0.00 0.00 33.22 30.86 1n91 n MET 5 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1n91 n SER 6 N 0.99 1.38 0.00 6.12 3.41 -1.20 -4.98 113.62 119.34 1n91 n SER 6 Ca -0.06 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 1n91 n SER 6 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.49 7.33 0.00 -1.26 -4.12 120.51 115.97 1n91 n ALA 7 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 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 0.00 -0.01 0.00 0.11 -1.26 0.41 120.40 119.65 1n91 s VAL 8 Ca 0.00 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1n91 s VAL 8 Cb 0.00 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1n91 s VAL 8 CO 0.00 -0.01 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.86 1n91 s THR 9 N -1.57 0.08 -0.53 5.04 2.01 -1.08 -4.94 115.64 114.65 1n91 s THR 9 Ca -0.09 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.79 1n91 s THR 9 Cb -0.00 -0.12 0.13 0.00 0.01 0.00 0.00 72.50 72.52 1n91 s THR 9 CO 0.06 0.06 0.48 0.68 -0.69 0.00 0.00 174.62 175.21 1n91 s VAL 10 N 0.38 5.02 0.00 3.82 -7.23 -1.26 -0.26 120.40 120.87 1n91 s VAL 10 Ca -0.03 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1n91 s VAL 10 Cb -0.05 -4.23 0.00 0.00 0.56 0.00 0.00 36.38 32.66 1n91 s VAL 10 CO -0.01 -0.86 0.00 0.59 -0.31 0.00 0.00 175.10 174.52 1n91 n ASN 11 N 5.16 0.00 -0.76 4.85 3.02 -0.82 -4.97 115.26 121.74 1n91 n ASN 11 Ca -0.12 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.50 1n91 n ASN 11 Cb 0.40 0.00 0.16 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 2.90 -0.01 6.41 8.00 -1.26 -4.36 116.55 128.24 1n91 n ASP 12 Ca 0.00 -1.88 -0.00 0.00 0.71 0.00 0.00 54.79 53.62 1n91 n ASP 12 Cb 0.00 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 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 0.83 4.44 0.00 -2.24 2.03 -1.26 -5.09 116.55 115.26 1n91 n ASP 13 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1n91 n ASP 13 Cb 0.45 0.81 0.00 0.00 -0.72 0.00 0.00 41.12 41.66 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 2.63 -0.47 3.20 0.27 0.00 -1.26 -2.74 105.19 106.81 1n91 n GLY 14 Ca -0.02 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 1.11 -0.09 0.99 2.34 -0.85 -1.94 118.68 120.23 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 1.07 -0.03 0.00 -0.56 0.00 0.00 46.19 46.67 1n91 s LEU 15 CO 0.00 -0.45 0.00 -0.69 -1.06 0.00 0.00 176.35 174.15 1n91 s VAL 16 N -1.55 4.32 -0.35 1.48 1.01 0.64 0.06 120.40 126.01 1n91 s VAL 16 Ca -0.13 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1n91 s VAL 16 Cb -0.05 -2.82 0.09 0.00 0.00 0.00 0.00 36.38 33.60 1n91 s VAL 16 CO 0.02 0.60 0.08 -0.76 0.00 0.00 0.00 175.10 175.04 1n91 s LEU 17 N -0.84 4.66 -0.34 3.92 2.01 0.22 -2.65 118.68 125.67 1n91 s LEU 17 Ca 0.13 -1.89 -0.08 0.00 0.01 0.00 0.00 54.13 52.30 1n91 s LEU 17 Cb -0.11 -1.70 0.03 0.00 0.01 0.00 0.00 46.19 44.41 1n91 s LEU 17 CO 0.02 -0.40 0.13 -0.13 1.01 0.00 0.00 176.35 176.98 1n91 s ARG 18 N 1.06 2.77 0.33 1.70 0.52 0.16 -1.52 118.95 123.99 1n91 s ARG 18 Ca 0.05 -1.09 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 1n91 s ARG 18 Cb -0.21 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 1n91 s ARG 18 CO -0.05 -0.63 0.33 1.47 0.02 0.00 0.00 175.30 176.44 1n91 n LEU 19 N 4.87 0.00 -4.20 2.53 -0.00 -0.75 -4.51 117.00 114.94 1n91 n LEU 19 Ca -0.13 -3.07 -0.37 0.00 -0.00 0.00 0.00 56.01 52.44 1n91 n LEU 19 Cb 0.46 1.87 -0.12 0.00 -0.00 0.00 0.00 43.42 45.63 1n91 n LEU 19 CO 0.33 -0.55 -0.21 -0.47 -0.00 0.00 0.00 177.39 176.49 1n91 s TYR 20 N -3.24 3.39 0.20 1.47 5.04 0.12 -1.08 117.35 123.25 1n91 s TYR 20 Ca 0.37 -1.88 -0.30 0.00 -2.44 0.00 0.00 57.07 52.82 1n91 s TYR 20 Cb 0.01 -2.75 -0.08 0.00 0.35 0.00 0.00 41.96 39.49 1n91 s TYR 20 CO 0.26 -0.86 1.22 0.42 -1.34 0.00 0.00 175.55 175.25 1n91 s ILE 21 N 1.29 3.46 -0.52 3.14 -1.09 0.29 -2.48 121.20 125.29 1n91 s ILE 21 Ca 0.02 1.24 0.04 0.00 -2.23 0.00 0.00 60.65 59.72 1n91 s ILE 21 Cb -0.22 -3.79 0.14 0.00 -1.58 0.00 0.00 42.46 37.01 1n91 s ILE 21 CO -0.01 0.20 0.30 -1.10 -1.23 0.00 0.00 174.94 173.11 1n91 s GLN 22 N -0.31 1.79 0.76 2.79 -1.52 0.11 -4.73 119.66 118.56 1n91 s GLN 22 Ca 0.53 -2.53 -0.11 0.00 -1.95 0.00 0.00 55.36 51.30 1n91 s GLN 22 Cb -0.34 -2.93 0.05 0.00 -0.22 0.00 0.00 33.01 29.57 1n91 s GLN 22 CO 0.38 -1.17 1.08 -2.14 -0.25 0.00 0.00 175.29 173.18 1n91 s PRO 23 N -0.28 2.39 -0.92 2.91 0.02 -1.26 -1.05 135.00 136.82 1n91 s PRO 23 Ca 0.19 0.92 -0.02 0.00 0.02 0.00 0.00 61.00 62.11 1n91 s PRO 23 Cb -0.20 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1n91 s PRO 23 CO -0.04 -1.47 0.78 1.63 -0.33 0.00 0.00 177.00 177.57 1n91 n LYS 24 N -3.38 -5.20 0.00 5.54 4.01 -0.77 -4.86 118.16 113.50 1n91 n LYS 24 Ca 0.08 0.62 0.00 0.00 -0.51 0.00 0.00 58.31 58.50 1n91 n LYS 24 Cb 0.54 -4.99 0.00 0.00 -0.51 0.00 0.00 35.03 30.07 1n91 n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n91 n ALA 25 N -3.63 0.00 0.00 7.82 0.00 -1.11 -5.03 120.51 118.56 1n91 n ALA 25 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1n91 n ALA 25 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1n91 n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n91 n SER 26 N -2.19 0.00 -3.64 0.00 7.64 -1.26 -5.02 113.62 109.14 1n91 n SER 26 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1n91 n SER 26 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1n91 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n91 s ARG 27 N 0.00 0.37 -0.93 1.43 1.70 -1.26 -4.86 118.95 115.41 1n91 s ARG 27 Ca 0.00 0.41 -0.25 0.00 -0.47 0.00 0.00 55.73 55.41 1n91 s ARG 27 Cb 0.00 0.18 -0.13 0.00 -0.57 0.00 0.00 34.95 34.43 1n91 s ARG 27 CO 0.00 -0.05 2.17 -0.51 -1.08 0.00 0.00 175.30 175.83 1n91 s ASP 28 N 0.07 4.25 -0.04 -2.89 1.01 -1.21 -4.44 116.67 113.42 1n91 s ASP 28 Ca 0.04 -0.55 0.03 0.00 0.71 0.00 0.00 52.55 52.78 1n91 s ASP 28 Cb -0.05 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1n91 s ASP 28 CO -0.09 -3.68 -0.11 -0.44 0.21 0.00 0.00 175.17 171.06 1n91 s SER 29 N 9.14 1.49 -1.02 0.27 0.01 -0.65 -4.98 113.70 117.96 1n91 s SER 29 Ca 0.82 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.66 1n91 s SER 29 Cb -0.08 -0.51 0.14 0.00 0.21 0.00 0.00 66.02 65.77 1n91 s SER 29 CO 0.08 0.06 1.24 0.27 0.41 0.00 0.00 173.24 175.30 1n91 s ILE 30 N 0.37 4.79 -0.20 1.44 -4.36 -1.26 -1.78 121.20 120.20 1n91 s ILE 30 Ca -0.07 -1.88 0.17 0.00 -0.26 0.00 0.00 60.65 58.61 1n91 s ILE 30 Cb -0.12 -4.83 0.44 0.00 1.25 0.00 0.00 42.46 39.20 1n91 s ILE 30 CO 0.02 -1.56 1.33 0.52 0.24 0.00 0.00 174.94 175.49 1n91 n VAL 31 N 5.28 2.09 -2.70 8.37 0.31 -1.25 -4.60 118.33 125.83 1n91 n VAL 31 Ca 0.28 -1.93 0.00 0.00 -0.01 0.00 0.00 64.34 62.68 1n91 n VAL 31 Cb 0.47 -0.20 0.05 0.00 -0.91 0.00 0.00 33.84 33.25 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 -0.72 1.59 3.66 2.92 0.00 -0.82 -5.06 105.19 106.76 1n91 n GLY 32 Ca 0.19 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.86 4.22 0.21 0.99 1.43 -1.24 -0.94 118.68 120.48 1n91 s LEU 33 Ca 0.25 1.82 0.05 0.00 -1.03 0.00 0.00 54.13 55.22 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 -0.08 -0.80 0.27 -2.28 0.23 0.00 0.00 176.35 173.70 1n91 s HIS 34 N 3.60 3.34 0.03 0.29 5.65 0.71 -4.89 115.29 124.02 1n91 s HIS 34 Ca 0.59 -0.00 0.32 0.00 0.25 0.00 0.00 55.06 56.22 1n91 s HIS 34 Cb -0.24 -1.55 1.39 0.00 -1.18 0.00 0.00 32.58 30.99 1n91 s HIS 34 CO 0.18 0.49 1.96 0.78 -0.65 0.00 0.00 174.74 177.50 1n91 h GLY 35 N 1.66 0.00 0.00 1.59 0.00 -1.97 -3.09 103.07 101.27 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 0.63 0.00 -0.86 1.22 0.00 0.00 0.00 176.54 177.53 1n91 n ASP 36 N -2.89 4.07 -2.85 0.19 9.92 -1.26 -4.81 116.55 118.92 1n91 n ASP 36 Ca 0.01 -0.08 -0.15 0.00 -0.53 0.00 0.00 54.79 54.03 1n91 n ASP 36 Cb 0.26 1.02 -0.05 0.00 -0.64 0.00 0.00 41.12 41.71 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 -1.44 0.53 -3.68 -1.24 -0.58 -1.17 -3.26 120.64 109.80 1n91 n GLU 37 Ca -0.00 -2.28 -0.16 0.00 -0.42 0.00 0.00 57.16 54.30 1n91 n GLU 37 Cb 0.01 1.48 -0.15 0.00 -0.57 0.00 0.00 31.44 32.21 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 -2.70 -0.23 -0.22 2.62 1.01 -1.26 -0.21 120.40 119.41 1n91 s VAL 38 Ca 0.19 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1n91 s VAL 38 Cb 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.14 1n91 s VAL 38 CO 0.13 0.13 -0.12 -0.75 0.00 0.00 0.00 175.10 174.49 1n91 s LYS 39 N 2.08 2.28 -0.00 2.72 2.20 -0.12 0.14 119.74 129.04 1n91 s LYS 39 Ca 0.01 -1.04 0.05 0.00 -0.36 0.00 0.00 55.97 54.63 1n91 s LYS 39 Cb -0.12 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.53 1n91 s LYS 39 CO -0.06 -0.45 -0.15 0.54 -0.36 0.00 0.00 175.35 174.87 1n91 s VAL 40 N 1.26 2.97 -0.38 4.02 0.11 -1.03 -1.94 120.40 125.41 1n91 s VAL 40 Ca -0.03 -0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 57.98 1n91 s VAL 40 Cb -0.17 -2.22 0.05 0.00 -1.53 0.00 0.00 36.38 32.52 1n91 s VAL 40 CO -0.08 0.45 0.18 0.00 -3.33 0.00 0.00 175.10 172.32 1n91 s ALA 41 N -0.85 3.18 0.15 1.54 0.00 -0.73 0.05 121.76 125.10 1n91 s ALA 41 Ca 0.14 -1.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.08 1n91 s ALA 41 Cb -0.11 -2.47 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 1n91 s ALA 41 CO 0.04 -1.48 0.45 -1.50 0.00 0.00 0.00 175.76 173.27 1n91 s ILE 42 N 1.42 5.04 -0.49 0.00 1.10 -0.22 -1.64 121.20 126.42 1n91 s ILE 42 Ca 0.01 0.37 -0.01 0.00 -0.51 0.00 0.00 60.65 60.51 1n91 s ILE 42 Cb -0.21 -3.64 0.36 0.00 0.15 0.00 0.00 42.46 39.13 1n91 s ILE 42 CO 0.03 0.09 1.99 1.07 -2.11 0.00 0.00 174.94 176.01 1n91 n THR 43 N 0.32 3.18 -3.95 4.00 5.66 -1.26 -1.85 114.28 120.38 1n91 n THR 43 Ca -0.03 -2.25 -0.34 0.00 -3.05 0.00 0.00 64.05 58.38 1n91 n THR 43 Cb 0.52 -1.16 -0.06 0.00 -1.55 0.00 0.00 70.33 68.08 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 -2.88 3.86 1.11 1.79 0.00 -1.26 -4.77 121.76 119.61 1n91 s ALA 44 Ca 0.49 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1n91 s ALA 44 Cb 0.39 -1.83 0.17 0.00 0.00 0.00 0.00 23.12 21.85 1n91 s ALA 44 CO 0.00 0.71 0.27 -2.30 0.00 0.00 0.00 175.76 174.44 1n91 n PRO 45 N 1.23 -2.36 0.00 0.00 -0.01 -1.26 -2.60 135.00 130.00 1n91 n PRO 45 Ca -0.13 -0.69 0.08 0.00 -0.01 0.00 0.00 63.50 62.75 1n91 n PRO 45 Cb 0.53 -1.62 0.48 0.00 -0.01 0.00 0.00 33.50 32.88 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 -2.41 0.80 -4.04 0.52 -0.02 -1.26 -4.56 135.00 124.02 1n91 n PRO 46 Ca 0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.19 1n91 n PRO 46 Cb 0.49 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 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 5.02 0.04 -1.45 0.11 -1.26 -5.04 120.40 115.81 1n91 s VAL 47 Ca 0.24 -0.21 -0.31 0.00 -2.93 0.00 0.00 61.98 58.77 1n91 s VAL 47 Cb 0.11 -3.27 -0.17 0.00 -1.53 0.00 0.00 36.38 31.52 1n91 s VAL 47 CO 0.19 0.42 1.36 0.44 -3.33 0.00 0.00 175.10 174.18 1n91 h ASP 48 N 4.31 -0.95 -0.54 3.54 3.32 -1.88 -1.05 116.42 123.18 1n91 h ASP 48 Ca -0.50 0.03 0.18 0.00 0.02 0.00 0.00 57.03 56.76 1n91 h ASP 48 Cb 1.19 0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.89 1n91 h ASP 48 CO 0.62 -0.63 0.12 0.61 -1.72 0.00 0.00 179.24 178.24 1n91 n GLY 49 N -1.27 -0.60 0.13 2.75 0.00 -1.26 0.18 105.19 105.13 1n91 n GLY 49 Ca -0.14 0.49 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 0.38 0.25 1.61 7.50 -1.90 -3.03 115.11 119.92 1n91 h GLN 50 Ca 0.38 -0.65 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 1n91 h GLN 50 Cb 0.88 0.24 0.00 0.00 0.05 0.00 0.00 27.48 28.66 1n91 h GLN 50 CO -0.47 1.31 -0.12 0.00 -1.50 0.00 0.00 178.83 178.05 1n91 h ALA 51 N 0.08 -0.34 -0.80 3.87 0.00 0.30 -2.87 119.26 119.50 1n91 h ALA 51 Ca -0.26 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.64 1n91 h ALA 51 Cb 1.92 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.73 1n91 h ALA 51 CO 0.17 -0.49 0.25 -0.97 0.00 0.00 0.00 179.25 178.22 1n91 h ASN 52 N -0.75 0.11 -0.66 0.00 -0.73 0.18 0.37 115.58 114.11 1n91 h ASN 52 Ca -0.03 0.15 0.09 0.00 1.87 0.00 0.00 56.30 58.38 1n91 h ASN 52 Cb 0.50 0.18 -0.07 0.00 0.27 0.00 0.00 38.32 39.20 1n91 h ASN 52 CO 0.06 -0.03 0.30 0.28 -0.37 0.00 0.00 177.43 177.68 1n91 h SER 53 N 0.32 0.38 -0.40 1.15 0.02 -1.48 0.37 113.55 113.91 1n91 h SER 53 Ca 0.47 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.39 1n91 h SER 53 Cb 0.83 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1n91 h SER 53 CO -0.52 0.22 -0.10 0.45 -1.14 0.00 0.00 176.83 175.74 1n91 h HIS 54 N 0.53 0.87 0.43 3.45 3.86 -0.23 -2.13 115.15 121.92 1n91 h HIS 54 Ca 0.33 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1n91 h HIS 54 Cb 0.36 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1n91 h HIS 54 CO -0.13 0.90 -0.48 1.25 0.86 0.00 0.00 177.93 180.33 1n91 h LEU 55 N 0.58 -1.34 -2.47 2.43 5.85 0.73 0.86 115.31 121.95 1n91 h LEU 55 Ca 0.10 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1n91 h LEU 55 Cb 0.63 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1n91 h LEU 55 CO 0.04 -0.62 0.11 1.62 -0.34 0.00 0.00 178.44 179.25 1n91 h VAL 56 N -0.92 0.31 0.02 1.05 3.04 -1.02 -2.79 116.25 115.94 1n91 h VAL 56 Ca -0.05 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1n91 h VAL 56 Cb 0.81 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1n91 h VAL 56 CO -0.09 0.00 -0.01 0.50 -1.01 0.00 0.00 177.57 176.96 1n91 h LYS 57 N 0.00 -0.02 -0.82 4.17 3.64 -0.40 -1.78 116.57 121.37 1n91 h LYS 57 Ca 0.03 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.53 1n91 h LYS 57 Cb 0.26 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.96 1n91 h LYS 57 CO -0.00 -0.01 -0.35 0.34 -2.27 0.00 0.00 179.45 177.15 1n91 n PHE 58 N -3.27 -0.06 0.11 1.91 7.35 0.28 0.10 117.46 123.90 1n91 n PHE 58 Ca -0.00 1.01 -0.05 0.00 -0.76 0.00 0.00 57.45 57.65 1n91 n PHE 58 Cb 0.01 -0.75 -0.02 0.00 0.35 0.00 0.00 39.48 39.06 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 -0.26 -1.37 -2.13 -0.00 -1.67 0.21 115.31 110.09 1n91 h LEU 59 Ca 0.25 0.01 0.48 0.00 -0.00 0.00 0.00 57.88 58.62 1n91 h LEU 59 Cb 0.46 0.07 -0.14 0.00 -0.00 0.00 0.00 40.66 41.04 1n91 h LEU 59 CO -0.80 -0.10 0.87 1.23 -0.00 0.00 0.00 178.44 179.64 1n91 h GLY 60 N -0.47 1.43 0.00 0.83 0.00 -0.46 1.30 103.07 105.70 1n91 h GLY 60 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1n91 h GLY 60 CO 0.05 -0.51 -0.09 0.50 0.00 0.00 0.00 176.54 176.49 1n91 h LYS 61 N 0.00 0.00 -0.94 4.80 6.56 0.71 -0.47 116.57 127.24 1n91 h LYS 61 Ca 0.88 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 60.51 1n91 h LYS 61 Cb 2.82 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 34.43 1n91 h LYS 61 CO -0.49 0.00 0.61 0.37 -2.06 0.00 0.00 179.45 177.89 1n91 h GLN 62 N -0.92 1.15 0.00 3.15 5.75 0.52 -1.53 115.11 123.23 1n91 h GLN 62 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1n91 h GLN 62 Cb 0.09 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.38 1n91 h GLN 62 CO 0.00 0.76 -0.57 0.74 -2.65 0.00 0.00 178.83 177.11 1n91 h PHE 63 N 1.18 0.00 0.00 3.99 -1.00 0.15 -3.46 116.94 117.80 1n91 h PHE 63 Ca 0.38 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.16 1n91 h PHE 63 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1n91 h PHE 63 CO -0.01 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.23 1n91 n ARG 64 N -2.60 -0.82 0.00 1.51 1.74 -0.19 -2.23 116.66 114.07 1n91 n ARG 64 Ca 0.02 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1n91 n ARG 64 Cb 0.51 -4.67 0.00 0.00 -1.02 0.00 0.00 32.46 27.28 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 -2.01 0.00 -3.99 1.55 0.31 -1.20 -4.93 118.33 108.06 1n91 n VAL 65 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1n91 n VAL 65 Cb 0.20 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.54 0.15 0.13 3.52 0.00 -1.26 -4.98 121.76 116.78 1n91 s ALA 66 Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 51.96 51.12 1n91 s ALA 66 Cb 0.00 0.77 0.30 0.00 0.00 0.00 0.00 23.12 24.19 1n91 s ALA 66 CO 0.00 -0.58 1.55 1.57 0.00 0.00 0.00 175.76 178.30 1n91 h LYS 67 N 2.67 0.00 0.00 0.00 2.10 -1.91 -2.00 116.57 117.43 1n91 h LYS 67 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1n91 h LYS 67 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1n91 h LYS 67 CO 0.52 0.59 0.00 0.45 -2.00 0.00 0.00 179.45 179.02 1n91 n SER 68 N -3.51 0.79 0.01 7.07 2.88 -1.26 -2.70 113.62 116.90 1n91 n SER 68 Ca -0.00 0.59 0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1n91 n SER 68 Cb 0.67 -0.80 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 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 -2.26 0.32 -3.14 -1.46 3.00 -1.01 -4.77 117.38 108.07 1n91 n GLN 69 Ca 0.05 -0.06 -0.45 0.00 -0.01 0.00 0.00 57.00 56.53 1n91 n GLN 69 Cb 0.40 -1.55 -0.04 0.00 0.00 0.00 0.00 30.24 29.05 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 -3.24 4.88 -0.23 5.09 1.01 -0.78 -0.81 120.40 126.31 1n91 s VAL 70 Ca 0.01 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1n91 s VAL 70 Cb 0.15 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1n91 s VAL 70 CO 0.86 -1.10 0.04 -0.69 0.00 0.00 0.00 175.10 174.20 1n91 s VAL 71 N 2.49 4.10 -0.82 2.92 1.01 -0.11 -4.84 120.40 125.15 1n91 s VAL 71 Ca 0.11 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.61 1n91 s VAL 71 Cb -0.24 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1n91 s VAL 71 CO 0.05 0.38 1.18 -0.63 0.00 0.00 0.00 175.10 176.08 1n91 s ILE 72 N 1.39 4.20 -1.59 2.22 1.01 -1.26 0.85 121.20 128.02 1n91 s ILE 72 Ca 0.05 -0.58 0.20 0.00 0.00 0.00 0.00 60.65 60.32 1n91 s ILE 72 Cb -0.15 -4.84 0.41 0.00 0.01 0.00 0.00 42.46 37.89 1n91 s ILE 72 CO 0.02 -1.66 1.61 -0.62 0.00 0.00 0.00 174.94 174.29 1n91 n GLU 73 N 8.04 0.38 0.00 2.79 1.02 0.21 -4.83 120.64 128.25 1n91 n GLU 73 Ca 0.12 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1n91 n GLU 73 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.20 0.00 0.00 3.49 5.02 -1.24 -4.91 118.16 119.32 1n91 n LYS 74 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1n91 n LYS 74 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 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 -0.70 1.52 0.27 0.72 0.00 -1.25 0.24 105.19 105.98 1n91 n GLY 75 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.01 1.61 1.02 -1.26 -0.83 120.64 121.12 1n91 n GLU 76 Ca 0.00 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 1n91 n GLU 76 Cb 0.00 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 1n91 n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1n91 n LEU 77 N -4.58 0.79 -4.35 -4.62 4.77 -1.26 -4.83 117.00 102.92 1n91 n LEU 77 Ca 0.29 -0.83 -0.24 0.00 -0.03 0.00 0.00 56.01 55.21 1n91 n LEU 77 Cb 1.02 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.99 1n91 n LEU 77 CO 0.04 0.21 -0.50 -0.83 -1.33 0.00 0.00 177.39 174.97 1n91 s GLY 78 N -0.45 1.46 0.56 -0.72 0.00 -0.01 -5.01 107.32 103.15 1n91 s GLY 78 Ca 0.01 -1.49 0.26 0.00 0.00 0.00 0.00 44.72 43.49 1n91 s GLY 78 CO 0.00 -1.53 2.05 3.21 0.00 0.00 0.00 173.10 176.83 1n91 h ARG 79 N 3.38 0.00 -7.31 2.90 -0.00 -1.85 -3.42 114.38 108.08 1n91 h ARG 79 Ca -0.44 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.53 1n91 h ARG 79 Cb 1.20 0.00 0.14 0.00 0.00 0.00 0.00 29.97 31.31 1n91 h ARG 79 CO 0.48 0.00 0.30 -1.01 0.00 0.00 0.00 179.97 179.74 1n91 s HIS 80 N -4.82 2.46 -0.15 3.04 3.76 -1.26 0.10 115.29 118.42 1n91 s HIS 80 Ca -0.05 1.53 -0.13 0.00 -0.15 0.00 0.00 55.06 56.27 1n91 s HIS 80 Cb 0.17 -3.09 0.04 0.00 1.11 0.00 0.00 32.58 30.82 1n91 s HIS 80 CO 0.63 -1.97 0.39 0.21 -0.85 0.00 0.00 174.74 173.15 1n91 s LYS 81 N -4.89 0.44 -0.41 1.40 2.20 -0.24 -3.91 119.74 114.33 1n91 s LYS 81 Ca 0.62 0.59 0.06 0.00 -0.36 0.00 0.00 55.97 56.87 1n91 s LYS 81 Cb -0.18 0.17 0.20 0.00 -1.51 0.00 0.00 37.83 36.51 1n91 s LYS 81 CO 0.56 -0.08 0.42 1.04 -0.36 0.00 0.00 175.35 176.94 1n91 n GLN 82 N 3.17 0.40 -2.88 4.03 6.02 0.14 -1.82 117.38 126.44 1n91 n GLN 82 Ca -0.15 -3.15 -0.32 0.00 -0.01 0.00 0.00 57.00 53.36 1n91 n GLN 82 Cb 0.57 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.41 4.54 -0.14 5.09 1.01 -0.57 0.63 121.20 131.36 1n91 s ILE 83 Ca 0.34 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.19 1n91 s ILE 83 Cb 0.09 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1n91 s ILE 83 CO -0.16 -0.34 -0.17 -0.75 0.00 0.00 0.00 174.94 173.52 1n91 s LYS 84 N -3.29 2.48 -0.48 2.79 2.36 0.25 0.73 119.74 124.57 1n91 s LYS 84 Ca 0.58 -0.64 -0.16 0.00 -2.55 0.00 0.00 55.97 53.20 1n91 s LYS 84 Cb -0.10 -2.15 0.08 0.00 -1.05 0.00 0.00 37.83 34.61 1n91 s LYS 84 CO 0.19 -0.14 0.41 0.42 1.55 0.00 0.00 175.35 177.78 1n91 s ILE 85 N 1.19 5.22 0.28 5.43 1.09 0.11 -0.94 121.20 133.59 1n91 s ILE 85 Ca -0.01 -1.08 -0.13 0.00 -1.10 0.00 0.00 60.65 58.34 1n91 s ILE 85 Cb -0.14 -4.15 -0.08 0.00 -1.06 0.00 0.00 42.46 37.03 1n91 s ILE 85 CO -0.07 -0.61 0.67 -0.63 -0.10 0.00 0.00 174.94 174.20 1n91 s ILE 86 N 1.68 4.77 -1.36 2.92 1.01 0.01 -2.02 121.20 128.20 1n91 s ILE 86 Ca 0.04 0.78 -0.13 0.00 0.00 0.00 0.00 60.65 61.35 1n91 s ILE 86 Cb -0.25 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1n91 s ILE 86 CO 0.07 -0.13 0.40 -3.20 0.00 0.00 0.00 174.94 172.08 1n91 n ASN 87 N -0.24 -1.63 -4.42 3.58 4.05 -1.11 -4.80 115.26 110.69 1n91 n ASN 87 Ca 0.02 -1.18 -0.41 0.00 0.45 0.00 0.00 54.58 53.46 1n91 n ASN 87 Cb 0.53 -2.24 0.01 0.00 1.23 0.00 0.00 39.78 39.31 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 -4.62 0.45 0.00 1.20 -0.04 -1.26 -4.94 135.00 125.79 1n91 n PRO 88 Ca -0.23 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1n91 n PRO 88 Cb 0.64 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1n91 n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1n91 n GLN 89 N 0.71 0.63 -3.63 0.54 1.13 -1.26 -5.03 117.38 110.47 1n91 n GLN 89 Ca 0.11 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 55.00 1n91 n GLN 89 Cb 0.40 -0.97 -0.15 0.00 0.11 0.00 0.00 30.24 29.63 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 -1.94 0.08 -0.26 -1.09 0.74 -0.95 -5.03 119.66 111.22 1n91 s GLN 90 Ca 0.00 0.49 -0.04 0.00 0.05 0.00 0.00 55.36 55.86 1n91 s GLN 90 Cb 0.00 -0.49 0.01 0.00 1.10 0.00 0.00 33.01 33.63 1n91 s GLN 90 CO 0.00 -0.38 0.00 -1.50 -0.55 0.00 0.00 175.29 172.86 1n91 s ILE 91 N 2.31 3.50 0.62 -2.34 2.07 -1.26 -4.31 121.20 121.78 1n91 s ILE 91 Ca 0.03 -0.70 -0.18 0.00 -1.41 0.00 0.00 60.65 58.39 1n91 s ILE 91 Cb -0.13 -2.73 -0.02 0.00 0.13 0.00 0.00 42.46 39.71 1n91 s ILE 91 CO -0.07 0.23 1.20 -2.84 -1.91 0.00 0.00 174.94 171.54 1n91 s PRO 92 N 1.45 2.84 0.42 3.50 0.02 -1.26 -4.83 135.00 137.13 1n91 s PRO 92 Ca 0.03 1.78 0.18 0.00 0.02 0.00 0.00 61.00 63.00 1n91 s PRO 92 Cb -0.16 -1.92 1.09 0.00 0.02 0.00 0.00 34.50 33.53 1n91 s PRO 92 CO -0.01 -1.30 1.84 -1.00 -0.33 0.00 0.00 177.00 176.20 1n91 h PRO 93 N 0.65 0.39 -0.52 5.54 0.13 -1.99 -2.32 132.00 133.89 1n91 h PRO 93 Ca -0.50 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1n91 h PRO 93 Cb 1.29 -0.09 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1n91 h PRO 93 CO 0.54 0.26 -0.50 0.93 -0.23 0.00 0.00 178.00 179.00 1n91 h GLU 94 N 0.41 -0.29 0.00 0.86 3.07 -2.01 0.92 114.58 117.55 1n91 h GLU 94 Ca 0.49 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1n91 h GLU 94 Cb 1.24 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1n91 h GLU 94 CO -0.19 -0.19 0.00 0.28 -1.40 0.00 0.00 179.01 177.50 1n91 h VAL 95 N -0.30 0.00 -0.01 3.13 2.07 -1.83 -3.13 116.25 116.19 1n91 h VAL 95 Ca 0.13 -0.86 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 1n91 h VAL 95 Cb 0.57 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1n91 h VAL 95 CO -0.66 0.00 -0.75 0.00 0.02 0.00 0.00 177.57 176.19 1n91 h ALA 96 N 2.01 0.75 -0.11 1.67 0.00 -0.17 -3.09 119.26 120.32 1n91 h ALA 96 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.28 1n91 h ALA 96 Cb 0.86 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n91 h ALA 96 CO 0.00 0.90 0.22 0.00 0.00 0.00 0.00 179.25 180.36 1n91 h ALA 97 N 1.20 1.53 0.00 0.00 0.00 0.78 2.03 119.26 124.80 1n91 h ALA 97 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n91 h ALA 97 Cb 1.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1n91 h ALA 97 CO 0.10 -0.27 -1.61 1.28 0.00 0.00 0.00 179.25 178.75 1n91 n LEU 98 N -3.39 0.39 -0.09 0.00 7.99 -1.17 -3.79 117.00 116.93 1n91 n LEU 98 Ca 0.00 -0.18 -0.11 0.00 -0.01 0.00 0.00 56.01 55.70 1n91 n LEU 98 Cb 0.31 -0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.51 1n91 n LEU 98 CO 0.22 0.09 -1.09 -0.38 -1.51 0.00 0.00 177.39 174.72 1n91 n ILE 99 N -1.97 1.12 1.00 -0.08 5.41 0.27 -4.44 119.36 120.67 1n91 n ILE 99 Ca -0.01 -0.54 0.13 0.00 1.00 0.00 0.00 62.75 63.34 1n91 n ILE 99 Cb 0.48 -0.94 0.51 0.00 -0.71 0.00 0.00 39.64 38.98 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 -2.87 0.15 -3.19 4.38 4.13 0.66 -4.99 115.26 113.53 1n91 n ASN 100 Ca -0.31 0.27 -0.20 0.00 1.68 0.00 0.00 54.58 56.02 1n91 n ASN 100 Cb 0.94 -0.28 0.02 0.00 -1.54 0.00 0.00 39.78 38.92 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 -1.50 -4.80 0.00 3.41 7.94 -1.25 -4.75 117.00 116.06 1n91 n LEU 101 Ca 0.07 0.30 0.04 0.00 -1.11 0.00 0.00 56.01 55.31 1n91 n LEU 101 Cb 0.34 -2.29 0.25 0.00 0.53 0.00 0.00 43.42 42.25 1n91 n LEU 101 CO 0.29 -1.25 0.51 -0.62 -1.11 0.00 0.00 177.39 175.21 1n91 n GLU 102 N 0.13 0.24 -3.29 1.96 -0.58 -1.25 -4.68 120.64 113.17 1n91 n GLU 102 Ca -0.01 0.05 -0.28 0.00 -0.42 0.00 0.00 57.16 56.50 1n91 n GLU 102 Cb 0.52 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 1n91 n GLU 102 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1n91 s HIS 103 N -2.13 3.48 0.03 -0.32 3.76 -1.26 -5.11 115.29 113.74 1n91 s HIS 103 Ca 0.12 0.65 -0.05 0.00 -0.15 0.00 0.00 55.06 55.63 1n91 s HIS 103 Cb 0.06 -2.11 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 1n91 s HIS 103 CO 0.11 0.14 0.09 -3.38 -0.85 0.00 0.00 174.74 170.84 1n91 s HIS 104 N -2.14 0.17 -0.40 1.40 -3.43 -1.26 -5.09 115.29 104.55 1n91 s HIS 104 Ca 0.44 -0.43 0.10 0.00 -0.80 0.00 0.00 55.06 54.38 1n91 s HIS 104 Cb -0.11 -0.13 0.36 0.00 -1.43 0.00 0.00 32.58 31.28 1n91 s HIS 104 CO 0.31 -0.32 1.00 -2.39 -2.00 0.00 0.00 174.74 171.33 1n91 n HIS 105 N 1.03 -1.16 -3.59 0.38 1.44 -1.26 -4.96 115.22 107.11 1n91 n HIS 105 Ca -0.20 -2.78 -0.25 0.00 -2.01 0.00 0.00 57.72 52.48 1n91 n HIS 105 Cb 0.57 0.62 -0.03 0.00 0.12 0.00 0.00 29.99 31.27 1n91 n HIS 105 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1n91 n HIS 106 N 0.12 -1.62 -2.96 -1.40 -0.00 -1.26 -4.89 115.22 103.21 1n91 n HIS 106 Ca 0.12 0.44 -0.33 0.00 0.46 0.00 0.00 57.72 58.40 1n91 n HIS 106 Cb 0.73 -2.06 -0.07 0.00 -0.12 0.00 0.00 29.99 28.47 1n91 n HIS 106 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1n91 s HIS 107 N -2.81 3.35 -2.97 1.57 5.04 -1.26 -5.37 115.29 112.83 1n91 s HIS 107 Ca 0.46 1.44 0.24 0.00 -1.54 0.00 0.00 55.06 55.66 1n91 s HIS 107 Cb -0.26 -2.71 0.19 0.00 0.04 0.00 0.00 32.58 29.84 1n91 s HIS 107 CO 0.57 -0.01 1.25 -2.39 -2.34 0.00 0.00 174.74 171.83