#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 0.00 7.83 5.75 -1.26 -5.03 116.55 123.84 1n91 n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1n91 n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1n91 n ASP 2 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n91 n GLY 3 N 3.74 0.79 2.58 6.12 0.00 -1.26 -4.71 105.19 112.45 1n91 n GLY 3 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.48-13.02 -3.20 1.61 0.31 -1.26 -4.91 118.33 95.38 1n91 n VAL 4 Ca 0.00 2.85 -0.46 0.00 -0.01 0.00 0.00 64.34 66.72 1n91 n VAL 4 Cb 0.04 -6.52 -0.03 0.00 -0.91 0.00 0.00 33.84 26.42 1n91 n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n91 s MET 5 N -0.66 3.35 -0.15 5.55 0.23 -1.26 -4.92 119.30 121.44 1n91 s MET 5 Ca -0.27 -1.92 -0.00 0.00 -1.03 0.00 0.00 55.69 52.47 1n91 s MET 5 Cb 0.02 -4.45 0.03 0.00 -1.53 0.00 0.00 34.83 28.90 1n91 s MET 5 CO 0.73 -1.44 -0.09 -1.54 -2.03 0.00 0.00 175.02 170.64 1n91 s SER 6 N 3.04 2.71 0.00 -1.18 1.04 -1.18 -4.89 113.70 113.25 1n91 s SER 6 Ca 0.16 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1n91 s SER 6 Cb -0.16 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 64.94 1n91 s SER 6 CO -0.03 -0.13 0.00 0.00 0.98 0.00 0.00 173.24 174.06 1n91 n ALA 7 N 4.84 0.79 -2.69 5.32 0.00 -1.25 -4.49 120.51 123.03 1n91 n ALA 7 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1n91 n ALA 7 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 1n91 n ALA 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n91 s VAL 8 N -1.00 0.06 -0.17 0.00 -7.23 -1.26 0.11 120.40 110.92 1n91 s VAL 8 Ca 0.00 -1.44 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 1n91 s VAL 8 Cb 0.00 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 35.09 1n91 s VAL 8 CO 0.00 -0.27 0.40 -0.89 -0.31 0.00 0.00 175.10 174.03 1n91 s THR 9 N -3.98 -0.02 -0.66 5.32 2.01 -1.14 -4.93 115.64 112.24 1n91 s THR 9 Ca 0.19 0.09 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 1n91 s THR 9 Cb 0.03 -0.60 0.12 0.00 0.01 0.00 0.00 72.50 72.07 1n91 s THR 9 CO 0.01 0.04 0.75 0.68 -0.69 0.00 0.00 174.62 175.41 1n91 s VAL 10 N 1.34 4.94 0.00 3.82 -7.23 -1.26 0.00 120.40 122.01 1n91 s VAL 10 Ca -0.09 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1n91 s VAL 10 Cb -0.08 -4.51 0.00 0.00 0.56 0.00 0.00 36.38 32.35 1n91 s VAL 10 CO -0.12 -1.14 0.00 0.59 -0.31 0.00 0.00 175.10 174.12 1n91 n ASN 11 N 5.98 0.00 -1.19 4.85 3.02 -0.94 -4.97 115.26 122.00 1n91 n ASN 11 Ca -0.03 -0.30 0.10 0.00 -0.03 0.00 0.00 54.58 54.32 1n91 n ASN 11 Cb 0.44 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.89 1n91 n ASN 11 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1n91 n ASP 12 N -0.91 3.71 -0.00 6.41 2.03 -1.26 -4.12 116.55 122.41 1n91 n ASP 12 Ca 0.00 -2.00 0.01 0.00 0.52 0.00 0.00 54.79 53.32 1n91 n ASP 12 Cb 0.00 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 1n91 n ASP 12 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1n91 n ASP 13 N 1.39 4.44 0.00 1.67 2.03 -1.26 -5.09 116.55 119.74 1n91 n ASP 13 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1n91 n ASP 13 Cb 0.58 1.03 0.00 0.00 -0.72 0.00 0.00 41.12 42.01 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 2.44 -0.51 3.10 0.27 0.00 -1.26 -2.80 105.19 106.43 1n91 n GLY 14 Ca -0.01 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.04 0.99 2.34 -0.93 -2.22 118.68 120.45 1n91 s LEU 15 Ca 0.00 -0.29 -0.01 0.00 0.06 0.00 0.00 54.13 53.89 1n91 s LEU 15 Cb 0.00 0.64 -0.04 0.00 -0.56 0.00 0.00 46.19 46.24 1n91 s LEU 15 CO 0.00 -0.40 0.04 -0.69 -1.06 0.00 0.00 176.35 174.25 1n91 s VAL 16 N -1.65 4.55 -0.45 1.48 1.01 0.10 -0.78 120.40 124.66 1n91 s VAL 16 Ca -0.13 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1n91 s VAL 16 Cb -0.06 -3.01 0.13 0.00 0.00 0.00 0.00 36.38 33.43 1n91 s VAL 16 CO 0.00 0.46 0.21 -0.76 0.00 0.00 0.00 175.10 175.01 1n91 s LEU 17 N -1.36 3.62 -0.37 3.92 2.01 0.28 -2.88 118.68 123.89 1n91 s LEU 17 Ca 0.18 -2.64 -0.17 0.00 0.01 0.00 0.00 54.13 51.52 1n91 s LEU 17 Cb -0.12 -1.36 0.00 0.00 0.01 0.00 0.00 46.19 44.73 1n91 s LEU 17 CO 0.09 -0.28 0.44 -0.13 1.01 0.00 0.00 176.35 177.47 1n91 s ARG 18 N 0.27 3.44 0.23 1.70 1.81 0.31 -0.86 118.95 125.84 1n91 s ARG 18 Ca 0.16 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.73 1n91 s ARG 18 Cb -0.24 -3.86 -0.04 0.00 -0.45 0.00 0.00 34.95 30.37 1n91 s ARG 18 CO -0.03 -0.67 0.16 -0.48 -0.68 0.00 0.00 175.30 173.60 1n91 s LEU 19 N 2.19 1.29 -0.66 2.53 2.34 0.31 -4.37 118.68 122.31 1n91 s LEU 19 Ca 0.14 -1.46 -0.13 0.00 0.06 0.00 0.00 54.13 52.74 1n91 s LEU 19 Cb -0.16 0.39 0.17 0.00 -0.56 0.00 0.00 46.19 46.03 1n91 s LEU 19 CO 0.13 -0.88 0.58 -0.47 -1.06 0.00 0.00 176.35 174.65 1n91 s TYR 20 N -4.00 3.51 0.05 3.48 5.04 0.24 -0.16 117.35 125.51 1n91 s TYR 20 Ca 0.39 -1.84 -0.31 0.00 -2.44 0.00 0.00 57.07 52.88 1n91 s TYR 20 Cb 0.06 -3.69 -0.06 0.00 0.35 0.00 0.00 41.96 38.62 1n91 s TYR 20 CO 0.15 -0.98 1.29 0.42 -1.34 0.00 0.00 175.55 175.08 1n91 s ILE 21 N 0.78 3.81 -0.47 3.14 -1.09 0.27 -2.99 121.20 124.65 1n91 s ILE 21 Ca 0.11 1.27 0.03 0.00 -2.23 0.00 0.00 60.65 59.83 1n91 s ILE 21 Cb -0.20 -3.81 0.13 0.00 -1.58 0.00 0.00 42.46 37.00 1n91 s ILE 21 CO -0.03 0.07 0.24 -1.10 -1.23 0.00 0.00 174.94 172.89 1n91 s GLN 22 N 1.43 1.59 0.60 2.79 -1.52 -0.61 -4.56 119.66 119.38 1n91 s GLN 22 Ca 0.61 -2.27 -0.14 0.00 -1.95 0.00 0.00 55.36 51.61 1n91 s GLN 22 Cb -0.31 -2.77 -0.04 0.00 -0.22 0.00 0.00 33.01 29.67 1n91 s GLN 22 CO 0.28 -1.14 1.04 -2.14 -0.25 0.00 0.00 175.29 173.09 1n91 s PRO 23 N 0.08 3.41 -0.45 2.91 0.02 -1.26 -1.90 135.00 137.81 1n91 s PRO 23 Ca 0.17 1.05 -0.01 0.00 0.02 0.00 0.00 61.00 62.24 1n91 s PRO 23 Cb -0.25 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.21 1n91 s PRO 23 CO 0.00 -0.72 0.38 1.63 -0.33 0.00 0.00 177.00 177.96 1n91 n LYS 24 N -2.22 -2.05 -0.09 5.54 5.02 -0.53 -4.89 118.16 118.93 1n91 n LYS 24 Ca 0.08 0.33 -0.09 0.00 -2.02 0.00 0.00 58.31 56.61 1n91 n LYS 24 Cb 0.53 -3.62 -0.03 0.00 -0.02 0.00 0.00 35.03 31.89 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 -2.21 0.87 0.00 7.82 0.00 -1.11 -5.04 120.51 120.85 1n91 n ALA 25 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1n91 n ALA 25 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.46 0.00 -3.59 0.00 7.64 -1.26 -5.05 113.62 106.90 1n91 n SER 26 Ca -0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.62 1n91 n SER 26 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1n91 n SER 26 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1n91 s ARG 27 N 0.00 0.64 -0.77 1.43 0.52 -1.26 -4.83 118.95 114.68 1n91 s ARG 27 Ca 0.00 0.32 -0.26 0.00 -0.52 0.00 0.00 55.73 55.28 1n91 s ARG 27 Cb 0.00 0.30 -0.09 0.00 0.52 0.00 0.00 34.95 35.69 1n91 s ARG 27 CO 0.00 -0.17 2.21 -0.51 0.02 0.00 0.00 175.30 176.86 1n91 s ASP 28 N -0.68 4.48 -0.11 0.23 1.11 -1.17 -4.40 116.67 116.13 1n91 s ASP 28 Ca -0.02 -0.01 -0.00 0.00 0.18 0.00 0.00 52.55 52.70 1n91 s ASP 28 Cb -0.02 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.45 1n91 s ASP 28 CO 0.00 -3.25 -0.08 -0.55 1.18 0.00 0.00 175.17 172.48 1n91 s SER 29 N 9.92 2.17 -1.30 0.27 0.15 -0.32 -4.97 113.70 119.62 1n91 s SER 29 Ca 0.84 -0.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 1n91 s SER 29 Cb -0.11 -0.84 0.11 0.00 -1.71 0.00 0.00 66.02 63.47 1n91 s SER 29 CO 0.09 -0.12 1.77 2.30 1.20 0.00 0.00 173.24 178.48 1n91 n ILE 30 N 4.94 4.00 -0.93 6.45 -5.35 -1.26 -1.91 119.36 125.29 1n91 n ILE 30 Ca -0.12 -4.12 0.08 0.00 -0.27 0.00 0.00 62.75 58.32 1n91 n ILE 30 Cb 0.50 -2.43 0.31 0.00 -1.74 0.00 0.00 39.64 36.28 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 5.15 2.41 -2.32 7.28 0.31 -1.25 -4.44 118.33 125.47 1n91 n VAL 31 Ca 0.45 -1.68 0.02 0.00 -0.01 0.00 0.00 64.34 63.11 1n91 n VAL 31 Cb 0.42 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 -0.05 0.84 3.70 2.92 0.00 -0.65 -5.05 105.19 106.90 1n91 n GLY 32 Ca 0.23 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 4.38 0.22 0.99 1.43 -1.23 -1.41 118.68 123.06 1n91 s LEU 33 Ca 0.22 2.65 0.09 0.00 -1.03 0.00 0.00 54.13 56.06 1n91 s LEU 33 Cb 0.25 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1n91 s LEU 33 CO -0.11 -0.93 -0.04 -2.28 0.23 0.00 0.00 176.35 173.23 1n91 s HIS 34 N 2.20 2.69 0.14 0.29 2.46 0.70 -4.85 115.29 118.92 1n91 s HIS 34 Ca 0.76 -0.21 0.34 0.00 0.47 0.00 0.00 55.06 56.42 1n91 s HIS 34 Cb -0.44 -1.26 1.43 0.00 -0.13 0.00 0.00 32.58 32.19 1n91 s HIS 34 CO 0.33 0.57 2.01 0.78 -2.47 0.00 0.00 174.74 175.96 1n91 h GLY 35 N 2.41 0.00 0.00 1.59 0.00 -2.02 -3.08 103.07 101.97 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 -0.90 1.22 0.00 0.00 0.00 176.54 177.44 1n91 n ASP 36 N -3.10 2.92 -2.14 0.19 9.92 -1.26 -4.79 116.55 118.29 1n91 n ASP 36 Ca 0.00 -0.17 -0.10 0.00 -0.53 0.00 0.00 54.79 53.99 1n91 n ASP 36 Cb 0.29 1.14 -0.04 0.00 -0.64 0.00 0.00 41.12 41.87 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 -1.49 0.22 -3.59 -1.24 -0.58 -1.16 -3.08 120.64 109.73 1n91 n GLU 37 Ca -0.00 -1.69 -0.20 0.00 -0.42 0.00 0.00 57.16 54.84 1n91 n GLU 37 Cb 0.10 1.40 -0.15 0.00 -0.57 0.00 0.00 31.44 32.22 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 -2.69 -0.22 -0.32 2.62 1.01 -1.26 -0.21 120.40 119.32 1n91 s VAL 38 Ca 0.20 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1n91 s VAL 38 Cb 0.01 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.90 1n91 s VAL 38 CO 0.14 -0.11 0.11 -0.75 0.00 0.00 0.00 175.10 174.50 1n91 s LYS 39 N 2.25 2.89 0.03 2.72 2.20 -0.50 0.81 119.74 130.14 1n91 s LYS 39 Ca 0.04 -1.00 0.07 0.00 -0.36 0.00 0.00 55.97 54.72 1n91 s LYS 39 Cb -0.15 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1n91 s LYS 39 CO -0.09 -0.56 -0.20 0.54 -0.36 0.00 0.00 175.35 174.68 1n91 s VAL 40 N 1.48 2.64 -0.43 4.02 0.11 -1.16 -1.64 120.40 125.41 1n91 s VAL 40 Ca 0.01 -1.20 -0.06 0.00 -2.93 0.00 0.00 61.98 57.81 1n91 s VAL 40 Cb -0.18 -2.08 0.11 0.00 -1.53 0.00 0.00 36.38 32.69 1n91 s VAL 40 CO 0.03 0.37 0.25 0.00 -3.33 0.00 0.00 175.10 172.43 1n91 s ALA 41 N -0.87 3.25 0.18 1.54 0.00 -0.80 -1.57 121.76 123.47 1n91 s ALA 41 Ca 0.14 -2.47 -0.10 0.00 0.00 0.00 0.00 51.96 49.52 1n91 s ALA 41 Cb -0.10 -2.57 -0.07 0.00 0.00 0.00 0.00 23.12 20.38 1n91 s ALA 41 CO 0.04 -1.81 0.50 -1.50 0.00 0.00 0.00 175.76 172.99 1n91 s ILE 42 N 1.25 4.97 -0.31 0.00 2.07 -0.80 -1.17 121.20 127.21 1n91 s ILE 42 Ca 0.06 0.48 0.03 0.00 -1.41 0.00 0.00 60.65 59.82 1n91 s ILE 42 Cb -0.24 -3.65 0.41 0.00 0.13 0.00 0.00 42.46 39.11 1n91 s ILE 42 CO -0.02 0.07 1.49 1.07 -1.91 0.00 0.00 174.94 175.64 1n91 n THR 43 N 0.26 2.18 -3.57 4.00 5.66 -1.26 -1.46 114.28 120.10 1n91 n THR 43 Ca -0.02 -1.08 -0.20 0.00 -3.05 0.00 0.00 64.05 59.70 1n91 n THR 43 Cb 0.52 -0.63 -0.01 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.95 4.06 0.99 1.79 0.00 -1.26 -4.77 121.76 120.61 1n91 s ALA 44 Ca 0.33 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1n91 s ALA 44 Cb 0.28 -1.77 0.20 0.00 0.00 0.00 0.00 23.12 21.83 1n91 s ALA 44 CO 0.07 0.02 1.25 -2.14 0.00 0.00 0.00 175.76 174.96 1n91 s PRO 45 N -4.16 0.45 0.00 0.00 0.02 -1.26 -2.31 135.00 127.74 1n91 s PRO 45 Ca 0.42 -0.23 0.17 0.00 0.02 0.00 0.00 61.00 61.38 1n91 s PRO 45 Cb -0.09 -1.81 1.04 0.00 0.02 0.00 0.00 34.50 33.66 1n91 s PRO 45 CO 0.31 -2.57 1.57 -0.35 -0.33 0.00 0.00 177.00 175.63 1n91 n PRO 46 N -3.92 0.85 -3.87 5.54 -0.05 -1.26 -4.32 135.00 127.98 1n91 n PRO 46 Ca 0.13 0.00 -0.32 0.00 -0.05 0.00 0.00 63.50 63.26 1n91 n PRO 46 Cb 0.60 -1.32 -0.04 0.00 -0.05 0.00 0.00 33.50 32.68 1n91 n PRO 46 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1n91 s VAL 47 N -2.00 5.37 0.01 0.52 0.11 -1.26 -4.91 120.40 118.24 1n91 s VAL 47 Ca 0.26 -0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 58.86 1n91 s VAL 47 Cb 0.12 -3.59 -0.18 0.00 -1.53 0.00 0.00 36.38 31.20 1n91 s VAL 47 CO 0.20 0.22 1.31 -0.78 -3.33 0.00 0.00 175.10 172.72 1n91 h ASP 48 N 3.40 -0.18 -0.85 3.54 3.58 -1.87 0.31 116.42 124.34 1n91 h ASP 48 Ca -0.47 -0.26 0.15 0.00 0.42 0.00 0.00 57.03 56.88 1n91 h ASP 48 Cb 1.17 0.05 -0.15 0.00 1.72 0.00 0.00 39.33 42.12 1n91 h ASP 48 CO 0.72 0.17 -0.27 0.61 -2.88 0.00 0.00 179.24 177.60 1n91 n GLY 49 N -0.23 -1.59 0.11 -0.78 0.00 -1.26 0.24 105.19 101.68 1n91 n GLY 49 Ca -0.09 0.93 -0.20 0.00 0.00 0.00 0.00 46.02 46.67 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 0.21 0.61 1.61 7.50 -1.92 -3.09 115.11 120.04 1n91 h GLN 50 Ca 0.36 -0.36 -0.03 0.00 0.50 0.00 0.00 58.65 59.11 1n91 h GLN 50 Cb 0.57 0.14 0.01 0.00 0.05 0.00 0.00 27.48 28.24 1n91 h GLN 50 CO -0.86 1.17 -0.29 0.00 -1.50 0.00 0.00 178.83 177.35 1n91 h ALA 51 N -0.02 -0.82 -0.66 3.87 0.00 0.92 -2.45 119.26 120.11 1n91 h ALA 51 Ca -0.19 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.65 1n91 h ALA 51 Cb 1.56 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.54 1n91 h ALA 51 CO 0.07 -0.80 -0.16 -0.97 0.00 0.00 0.00 179.25 177.39 1n91 h ASN 52 N -1.14 -0.60 -0.35 0.00 -0.73 0.28 -0.00 115.58 113.04 1n91 h ASN 52 Ca -0.08 0.20 0.05 0.00 1.87 0.00 0.00 56.30 58.33 1n91 h ASN 52 Cb 0.67 0.40 -0.05 0.00 0.27 0.00 0.00 38.32 39.61 1n91 h ASN 52 CO 0.14 -0.21 0.06 0.77 -0.37 0.00 0.00 177.43 177.82 1n91 h SER 53 N 0.00 -0.00 0.45 1.15 4.64 -1.52 -1.58 113.55 116.68 1n91 h SER 53 Ca 0.32 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1n91 h SER 53 Cb 0.49 0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1n91 h SER 53 CO -0.67 0.04 -0.51 0.45 -0.87 0.00 0.00 176.83 175.26 1n91 h HIS 54 N 0.18 -1.42 -0.56 4.77 3.86 -0.54 0.14 115.15 121.58 1n91 h HIS 54 Ca 0.16 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.46 1n91 h HIS 54 Cb 0.19 0.56 -0.10 0.00 1.06 0.00 0.00 27.41 29.12 1n91 h HIS 54 CO -0.19 -0.66 -0.49 1.25 0.86 0.00 0.00 177.93 178.70 1n91 h LEU 55 N -0.97 -1.67 -1.78 2.43 7.12 -0.99 1.31 115.31 120.76 1n91 h LEU 55 Ca -0.05 0.25 0.16 0.00 0.13 0.00 0.00 57.88 58.37 1n91 h LEU 55 Cb 0.86 0.73 -0.04 0.00 -0.53 0.00 0.00 40.66 41.68 1n91 h LEU 55 CO -0.10 -0.35 0.46 0.58 -0.13 0.00 0.00 178.44 178.90 1n91 h VAL 56 N -0.26 0.75 0.07 1.05 2.07 -1.06 0.11 116.25 118.98 1n91 h VAL 56 Ca 0.14 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1n91 h VAL 56 Cb 0.56 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1n91 h VAL 56 CO -0.68 0.04 -0.03 0.50 0.02 0.00 0.00 177.57 177.42 1n91 h LYS 57 N 0.22 -0.09 -0.46 1.57 3.64 0.36 -0.98 116.57 120.84 1n91 h LYS 57 Ca 0.32 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.79 1n91 h LYS 57 Cb 0.97 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.71 1n91 h LYS 57 CO -0.06 -0.06 -0.41 0.35 -2.27 0.00 0.00 179.45 177.00 1n91 h PHE 58 N -0.43 -1.18 0.69 1.91 3.57 0.14 0.18 116.94 121.83 1n91 h PHE 58 Ca -0.01 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1n91 h PHE 58 Cb 0.07 0.58 0.01 0.00 2.79 0.00 0.00 35.95 39.40 1n91 h PHE 58 CO 0.02 -0.42 -0.33 1.25 -2.23 0.00 0.00 178.31 176.60 1n91 h LEU 59 N -0.28 -0.79 -1.95 0.59 5.85 -0.96 -1.04 115.31 116.73 1n91 h LEU 59 Ca 0.16 -0.00 0.39 0.00 0.84 0.00 0.00 57.88 59.26 1n91 h LEU 59 Cb 0.57 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1n91 h LEU 59 CO -0.60 -0.44 0.99 1.23 -0.34 0.00 0.00 178.44 179.28 1n91 h GLY 60 N -1.15 0.00 0.00 3.75 0.00 -0.87 0.78 103.07 105.57 1n91 h GLY 60 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1n91 h GLY 60 CO 0.16 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.17 1n91 h LYS 61 N 0.00 0.00 -0.29 4.80 1.57 -0.42 0.02 116.57 122.25 1n91 h LYS 61 Ca 0.63 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.45 1n91 h LYS 61 Cb 2.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.90 1n91 h LYS 61 CO -0.01 0.00 0.20 -0.56 -0.57 0.00 0.00 179.45 178.51 1n91 h GLN 62 N -0.62 0.24 0.00 3.15 -0.00 -0.51 0.18 115.11 117.56 1n91 h GLN 62 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1n91 h GLN 62 Cb 0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 1n91 h GLN 62 CO 0.00 0.16 -0.86 0.74 -0.00 0.00 0.00 178.83 178.86 1n91 h PHE 63 N 0.24 0.00 0.00 0.06 0.04 0.40 -3.46 116.94 114.22 1n91 h PHE 63 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1n91 h PHE 63 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1n91 h PHE 63 CO -0.00 0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 175.58 1n91 n ARG 64 N -2.67 -0.27 0.00 1.51 0.63 0.05 -3.42 116.66 112.49 1n91 n ARG 64 Ca 0.01 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1n91 n ARG 64 Cb 0.54 -3.89 0.00 0.00 0.45 0.00 0.00 32.46 29.56 1n91 n ARG 64 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1n91 n VAL 65 N -2.07 0.00 -4.17 5.15 0.31 -1.08 -4.89 118.33 111.57 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 0.07 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.90 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 -2.82 1.01 0.10 3.52 0.00 -1.26 -4.90 121.76 117.41 1n91 s ALA 66 Ca 0.00 -1.59 0.19 0.00 0.00 0.00 0.00 51.96 50.57 1n91 s ALA 66 Cb 0.00 1.14 0.63 0.00 0.00 0.00 0.00 23.12 24.89 1n91 s ALA 66 CO 0.00 -0.54 1.70 1.57 0.00 0.00 0.00 175.76 178.49 1n91 h LYS 67 N 2.73 0.00 0.00 0.00 2.10 -1.90 -1.58 116.57 117.92 1n91 h LYS 67 Ca -0.36 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1n91 h LYS 67 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1n91 h LYS 67 CO 0.56 0.36 -0.02 1.03 -2.00 0.00 0.00 179.45 179.38 1n91 h SER 68 N 0.00 0.00 0.24 7.07 0.87 -1.99 -3.11 113.55 116.63 1n91 h SER 68 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1n91 h SER 68 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1n91 h SER 68 CO 0.05 0.02 -0.93 0.00 -0.53 0.00 0.00 176.83 175.43 1n91 n GLN 69 N -3.10 0.11 -3.33 2.24 3.00 -0.96 -4.75 117.38 110.58 1n91 n GLN 69 Ca 0.04 -0.01 -0.46 0.00 -0.01 0.00 0.00 57.00 56.56 1n91 n GLN 69 Cb 0.53 -1.52 -0.05 0.00 0.00 0.00 0.00 30.24 29.20 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 -3.08 5.15 -0.25 5.09 1.01 -0.64 -0.81 120.40 126.88 1n91 s VAL 70 Ca 0.07 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 1n91 s VAL 70 Cb 0.16 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1n91 s VAL 70 CO 0.81 -0.87 -0.03 -0.69 0.00 0.00 0.00 175.10 174.32 1n91 s VAL 71 N 1.47 3.22 -1.03 2.92 1.01 -0.95 -4.90 120.40 122.14 1n91 s VAL 71 Ca 0.04 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1n91 s VAL 71 Cb -0.28 -2.59 0.13 0.00 0.00 0.00 0.00 36.38 33.63 1n91 s VAL 71 CO 0.02 0.24 1.27 -0.63 0.00 0.00 0.00 175.10 175.99 1n91 s ILE 72 N 1.40 4.69 -1.48 2.22 1.01 -1.26 -0.41 121.20 127.37 1n91 s ILE 72 Ca 0.02 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 58.90 1n91 s ILE 72 Cb -0.16 -4.86 0.00 0.00 0.01 0.00 0.00 42.46 37.45 1n91 s ILE 72 CO -0.03 -1.61 0.61 -0.62 0.00 0.00 0.00 174.94 173.29 1n91 n GLU 73 N 6.67 0.82 0.00 2.79 1.02 -0.50 -4.68 120.64 126.75 1n91 n GLU 73 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1n91 n GLU 73 Cb 0.48 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1n91 n GLU 73 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1n91 n LYS 74 N -0.19 0.00 0.00 3.49 4.81 -1.17 -4.85 118.16 120.25 1n91 n LYS 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1n91 n LYS 74 Cb 0.11 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.16 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 -0.22 1.40 0.22 3.14 0.00 -1.11 0.81 105.19 109.42 1n91 n GLY 75 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1n91 n GLY 75 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n91 n GLU 76 N 0.00 -0.19 0.00 1.61 2.13 -1.26 -3.88 120.64 119.04 1n91 n GLU 76 Ca 0.00 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1n91 n GLU 76 Cb 0.00 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1n91 n GLU 76 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1n91 n LEU 77 N -4.71 0.34 -4.77 4.31 4.77 -1.26 -4.37 117.00 111.31 1n91 n LEU 77 Ca 0.03 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 1n91 n LEU 77 Cb 0.17 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1n91 n LEU 77 CO -0.08 0.06 0.88 -0.83 -1.33 0.00 0.00 177.39 176.08 1n91 s GLY 78 N -2.23 2.83 0.43 -0.72 0.00 -1.25 -4.91 107.32 101.47 1n91 s GLY 78 Ca 0.00 1.06 0.11 0.00 0.00 0.00 0.00 44.72 45.89 1n91 s GLY 78 CO 0.00 1.55 2.03 3.21 0.00 0.00 0.00 173.10 179.90 1n91 h ARG 79 N 2.12 0.43 -6.82 2.90 3.08 -1.87 -3.40 114.38 110.82 1n91 h ARG 79 Ca -0.50 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.01 1n91 h ARG 79 Cb 1.25 -0.10 0.05 0.00 0.08 0.00 0.00 29.97 31.26 1n91 h ARG 79 CO 0.60 0.28 0.61 -1.01 -1.07 0.00 0.00 179.97 179.39 1n91 s HIS 80 N -5.41 3.19 0.02 3.04 3.76 -1.26 0.97 115.29 119.60 1n91 s HIS 80 Ca -0.08 1.42 -0.08 0.00 -0.15 0.00 0.00 55.06 56.17 1n91 s HIS 80 Cb 0.18 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 30.28 1n91 s HIS 80 CO 0.73 -1.63 0.16 0.21 -0.85 0.00 0.00 174.74 173.37 1n91 s LYS 81 N -1.35 0.57 -0.14 1.40 2.20 0.78 -2.75 119.74 120.44 1n91 s LYS 81 Ca 0.50 -0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 1n91 s LYS 81 Cb -0.38 0.24 0.06 0.00 -1.51 0.00 0.00 37.83 36.24 1n91 s LYS 81 CO 0.47 -0.15 0.30 -1.14 -0.36 0.00 0.00 175.35 174.48 1n91 s GLN 82 N -1.88 0.22 0.03 4.03 0.74 0.24 -0.53 119.66 122.50 1n91 s GLN 82 Ca -0.11 0.75 0.09 0.00 0.05 0.00 0.00 55.36 56.14 1n91 s GLN 82 Cb -0.05 0.01 -0.03 0.00 1.10 0.00 0.00 33.01 34.04 1n91 s GLN 82 CO -0.01 -0.24 -0.26 0.42 -0.55 0.00 0.00 175.29 174.66 1n91 s ILE 83 N 2.05 2.07 -0.34 -2.34 1.01 -0.04 -1.41 121.20 122.21 1n91 s ILE 83 Ca -0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.30 1n91 s ILE 83 Cb -0.11 -1.76 0.07 0.00 0.01 0.00 0.00 42.46 40.67 1n91 s ILE 83 CO -0.10 0.41 0.07 -0.75 0.00 0.00 0.00 174.94 174.57 1n91 s LYS 84 N -1.06 2.27 -0.60 2.79 2.36 0.45 0.99 119.74 126.95 1n91 s LYS 84 Ca 0.11 -1.45 -0.21 0.00 -2.55 0.00 0.00 55.97 51.87 1n91 s LYS 84 Cb -0.10 -3.32 0.08 0.00 -1.05 0.00 0.00 37.83 33.44 1n91 s LYS 84 CO 0.01 -0.77 0.81 0.42 1.55 0.00 0.00 175.35 177.37 1n91 s ILE 85 N 1.21 4.61 0.29 5.43 1.09 0.04 -2.23 121.20 131.63 1n91 s ILE 85 Ca -0.00 -0.55 -0.25 0.00 -1.10 0.00 0.00 60.65 58.75 1n91 s ILE 85 Cb -0.21 -4.53 -0.09 0.00 -1.06 0.00 0.00 42.46 36.57 1n91 s ILE 85 CO -0.02 -1.19 0.90 -0.63 -0.10 0.00 0.00 174.94 173.90 1n91 s ILE 86 N 3.30 4.26 -0.54 2.92 1.01 0.01 -2.18 121.20 129.98 1n91 s ILE 86 Ca 0.18 1.76 -0.22 0.00 0.00 0.00 0.00 60.65 62.37 1n91 s ILE 86 Cb -0.19 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1n91 s ILE 86 CO 0.10 0.21 0.64 -3.20 0.00 0.00 0.00 174.94 172.70 1n91 n ASN 87 N 0.75 -6.24 -4.77 3.58 2.85 -1.12 -4.80 115.26 105.51 1n91 n ASN 87 Ca 0.00 -0.12 -0.38 0.00 -0.11 0.00 0.00 54.58 53.98 1n91 n ASN 87 Cb 0.50 -2.98 -0.04 0.00 1.24 0.00 0.00 39.78 38.50 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 -3.01 4.22 -0.16 1.20 0.02 -1.26 -4.87 135.00 131.14 1n91 s PRO 88 Ca 0.24 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.91 1n91 s PRO 88 Cb -0.04 -2.68 -0.11 0.00 0.02 0.00 0.00 34.50 31.69 1n91 s PRO 88 CO 0.84 -0.12 -0.14 1.04 -0.33 0.00 0.00 177.00 178.29 1n91 n GLN 89 N 0.18 0.44 -3.69 5.54 6.02 -1.26 -5.00 117.38 119.61 1n91 n GLN 89 Ca 0.04 0.09 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1n91 n GLN 89 Cb 0.48 -1.33 -0.13 0.00 1.02 0.00 0.00 30.24 30.29 1n91 n GLN 89 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1n91 s GLN 90 N -2.33 0.21 -0.33 -1.09 -2.07 -1.22 -5.10 119.66 107.74 1n91 s GLN 90 Ca -0.22 0.67 -0.08 0.00 -1.82 0.00 0.00 55.36 53.91 1n91 s GLN 90 Cb 0.06 -0.05 0.02 0.00 -1.09 0.00 0.00 33.01 31.94 1n91 s GLN 90 CO 0.38 -0.22 0.13 -1.50 -1.32 0.00 0.00 175.29 172.76 1n91 s ILE 91 N 1.81 4.18 0.62 3.63 2.07 -1.26 -4.63 121.20 127.61 1n91 s ILE 91 Ca -0.05 -0.78 -0.16 0.00 -1.41 0.00 0.00 60.65 58.25 1n91 s ILE 91 Cb -0.11 -3.24 -0.02 0.00 0.13 0.00 0.00 42.46 39.23 1n91 s ILE 91 CO -0.09 -0.05 1.11 -2.84 -1.91 0.00 0.00 174.94 171.15 1n91 s PRO 92 N 1.51 3.01 0.54 3.50 0.02 -1.26 -4.71 135.00 137.61 1n91 s PRO 92 Ca 0.02 1.41 0.36 0.00 0.02 0.00 0.00 61.00 62.82 1n91 s PRO 92 Cb -0.18 -1.98 1.54 0.00 0.02 0.00 0.00 34.50 33.90 1n91 s PRO 92 CO 0.04 -1.09 1.80 -1.00 -0.33 0.00 0.00 177.00 176.42 1n91 h PRO 93 N 0.37 0.01 0.14 5.54 0.13 -1.98 0.13 132.00 136.34 1n91 h PRO 93 Ca -0.48 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1n91 h PRO 93 Cb 1.25 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1n91 h PRO 93 CO 0.55 0.01 -0.50 1.49 -0.23 0.00 0.00 178.00 179.32 1n91 h GLU 94 N 0.01 -0.72 0.00 0.86 4.81 -2.00 1.22 114.58 118.78 1n91 h GLU 94 Ca 0.57 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.74 1n91 h GLU 94 Cb 2.27 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.80 1n91 h GLU 94 CO -0.02 -0.48 -0.80 0.28 -0.73 0.00 0.00 179.01 177.26 1n91 h VAL 95 N -0.74 0.62 0.00 0.32 2.07 -1.68 -3.25 116.25 113.59 1n91 h VAL 95 Ca 0.00 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1n91 h VAL 95 Cb 0.75 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1n91 h VAL 95 CO -0.27 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1n91 h ALA 96 N 1.55 1.00 0.00 1.67 0.00 -0.44 -2.86 119.26 120.17 1n91 h ALA 96 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1n91 h ALA 96 Cb 1.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1n91 h ALA 96 CO 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.13 1n91 h ALA 97 N 2.01 1.25 0.00 0.00 0.00 0.15 1.21 119.26 123.88 1n91 h ALA 97 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n91 h ALA 97 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1n91 h ALA 97 CO 0.00 0.21 -1.28 1.28 0.00 0.00 0.00 179.25 179.46 1n91 n LEU 98 N -3.65 0.44 -0.11 0.00 4.77 -1.16 -3.95 117.00 113.34 1n91 n LEU 98 Ca -0.01 -0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.46 1n91 n LEU 98 Cb 0.29 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1n91 n LEU 98 CO 0.32 0.11 -1.25 -0.38 -1.33 0.00 0.00 177.39 174.85 1n91 n ILE 99 N -1.74 1.26 1.51 -0.08 5.41 -1.03 -4.41 119.36 120.28 1n91 n ILE 99 Ca 0.00 -0.30 0.11 0.00 1.00 0.00 0.00 62.75 63.56 1n91 n ILE 99 Cb 0.36 -1.83 0.63 0.00 -0.71 0.00 0.00 39.64 38.09 1n91 n ILE 99 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1n91 n ASN 100 N -4.04 0.00 0.11 4.38 2.85 0.42 -3.64 115.26 115.33 1n91 n ASN 100 Ca -0.44 -0.85 0.05 0.00 -0.11 0.00 0.00 54.58 53.24 1n91 n ASN 100 Cb 0.80 0.00 0.27 0.00 1.24 0.00 0.00 39.78 42.09 1n91 n ASN 100 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1n91 n LEU 101 N -0.94 0.25 -2.47 1.20 7.94 -1.20 -3.34 117.00 118.44 1n91 n LEU 101 Ca 0.16 0.51 -0.11 0.00 -1.11 0.00 0.00 56.01 55.46 1n91 n LEU 101 Cb 0.07 -0.49 -0.08 0.00 0.53 0.00 0.00 43.42 43.46 1n91 n LEU 101 CO 0.12 -0.59 1.46 1.21 -1.11 0.00 0.00 177.39 178.48 1n91 n GLU 102 N -1.84 1.39 -3.90 1.96 2.13 -1.24 -4.66 120.64 114.49 1n91 n GLU 102 Ca -0.01 -0.80 -0.30 0.00 0.66 0.00 0.00 57.16 56.70 1n91 n GLU 102 Cb 0.24 -1.96 -0.15 0.00 0.27 0.00 0.00 31.44 29.84 1n91 n GLU 102 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1n91 s HIS 103 N 2.26 2.88 0.65 4.31 3.76 -1.21 -4.97 115.29 122.97 1n91 s HIS 103 Ca 0.39 -2.48 0.35 0.00 -0.15 0.00 0.00 55.06 53.16 1n91 s HIS 103 Cb 0.16 -2.41 1.90 0.00 1.11 0.00 0.00 32.58 33.34 1n91 s HIS 103 CO -0.01 -0.91 2.11 0.45 -0.85 0.00 0.00 174.74 175.53 1n91 h HIS 104 N 7.77 0.00 -0.51 1.40 3.86 -1.95 -3.42 115.15 122.31 1n91 h HIS 104 Ca -0.08 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.60 1n91 h HIS 104 Cb 1.01 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.43 1n91 h HIS 104 CO 0.42 0.00 1.66 0.72 0.86 0.00 0.00 177.93 181.59 1n91 n HIS 105 N -3.18 0.93 1.27 2.45 8.25 -1.26 -4.72 115.22 118.97 1n91 n HIS 105 Ca -0.01 0.34 0.04 0.00 -0.26 0.00 0.00 57.72 57.83 1n91 n HIS 105 Cb 0.27 -2.45 0.24 0.00 1.12 0.00 0.00 29.99 29.17 1n91 n HIS 105 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1n91 n HIS 106 N 11.54 0.00 -1.50 4.41 1.44 -1.26 -4.80 115.22 125.04 1n91 n HIS 106 Ca 0.55 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.86 1n91 n HIS 106 Cb 0.17 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.19 1n91 n HIS 106 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1n91 n HIS 107 N -0.70 1.04 0.00 -1.40 -0.00 -1.26 -5.29 115.22 107.61 1n91 n HIS 107 Ca 0.06 0.28 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1n91 n HIS 107 Cb 0.03 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 27.52 1n91 n HIS 107 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06