#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 -0.05 3.17 2.03 -1.26 -5.02 116.55 115.42 1n91 n ASP 2 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1n91 n ASP 2 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1n91 n ASP 2 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n91 n GLY 3 N -1.18 -0.51 4.71 0.27 0.00 -1.26 -4.94 105.19 102.28 1n91 n GLY 3 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1n91 n GLY 3 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1n91 n VAL 4 N -3.55 0.00 -3.98 1.61 0.24 -1.26 -4.84 118.33 106.56 1n91 n VAL 4 Ca -0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.90 1n91 n VAL 4 Cb 0.28 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.51 1n91 n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n91 s MET 5 N 0.00 2.03 -0.22 7.34 0.23 -1.26 -4.86 119.30 122.56 1n91 s MET 5 Ca 0.00 -1.55 0.01 0.00 -1.03 0.00 0.00 55.69 53.12 1n91 s MET 5 Cb 0.00 -3.14 0.06 0.00 -1.53 0.00 0.00 34.83 30.21 1n91 s MET 5 CO 0.00 -0.76 -0.06 -1.54 -2.03 0.00 0.00 175.02 170.63 1n91 s SER 6 N 1.17 3.68 0.00 -1.18 1.04 -1.11 -4.84 113.70 112.46 1n91 s SER 6 Ca 0.00 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1n91 s SER 6 Cb -0.20 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1n91 s SER 6 CO -0.05 -0.21 0.00 0.00 0.98 0.00 0.00 173.24 173.96 1n91 n ALA 7 N 4.69 0.00 -3.47 5.32 0.00 -1.26 -4.66 120.51 121.13 1n91 n ALA 7 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1n91 n ALA 7 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.14 0.00 0.11 -1.26 0.11 120.40 119.22 1n91 s VAL 8 Ca 0.00 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 1n91 s VAL 8 Cb 0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1n91 s VAL 8 CO 0.00 0.00 0.37 -0.89 -3.33 0.00 0.00 175.10 171.25 1n91 s THR 9 N -2.61 -0.00 -0.40 5.04 2.01 -0.88 -4.97 115.64 113.83 1n91 s THR 9 Ca -0.03 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1n91 s THR 9 Cb -0.01 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 72.05 1n91 s THR 9 CO -0.03 0.00 0.22 -0.69 -0.69 0.00 0.00 174.62 173.43 1n91 s VAL 10 N 0.22 4.05 0.00 3.82 1.01 -1.26 0.32 120.40 128.56 1n91 s VAL 10 Ca -0.00 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1n91 s VAL 10 Cb -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1n91 s VAL 10 CO 0.00 -0.44 0.00 0.59 0.00 0.00 0.00 175.10 175.25 1n91 n ASN 11 N 4.87 0.00 -0.73 3.32 4.13 -1.00 -5.00 115.26 120.84 1n91 n ASN 11 Ca -0.10 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.24 1n91 n ASN 11 Cb 0.43 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.81 1n91 n ASN 11 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1n91 n ASP 12 N 0.00 2.77 -0.02 6.41 8.00 -1.26 -4.30 116.55 128.16 1n91 n ASP 12 Ca 0.00 -1.82 0.02 0.00 0.71 0.00 0.00 54.79 53.70 1n91 n ASP 12 Cb 0.00 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 40.85 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 2.35 0.00 -2.24 2.03 -1.26 -5.08 116.55 113.20 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 1.29 0.00 0.00 -0.72 0.00 0.00 41.12 42.13 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 2.00 -0.53 3.10 0.27 0.00 -1.26 -3.00 105.19 105.76 1n91 n GLY 14 Ca -0.07 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 1.39 -0.18 0.99 2.34 -0.87 -2.37 118.68 119.98 1n91 s LEU 15 Ca 0.00 0.06 -0.06 0.00 0.06 0.00 0.00 54.13 54.19 1n91 s LEU 15 Cb 0.00 0.70 -0.04 0.00 -0.56 0.00 0.00 46.19 46.30 1n91 s LEU 15 CO 0.00 -0.25 0.03 -0.69 -1.06 0.00 0.00 176.35 174.39 1n91 s VAL 16 N -0.75 4.47 -0.44 1.48 1.01 0.15 -0.61 120.40 125.71 1n91 s VAL 16 Ca -0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1n91 s VAL 16 Cb -0.05 -3.00 0.12 0.00 0.00 0.00 0.00 36.38 33.44 1n91 s VAL 16 CO 0.01 0.46 0.27 -0.22 0.00 0.00 0.00 175.10 175.62 1n91 s LEU 17 N 0.48 5.46 -0.20 3.92 0.20 0.08 -2.08 118.68 126.54 1n91 s LEU 17 Ca 0.01 -2.00 -0.08 0.00 0.69 0.00 0.00 54.13 52.75 1n91 s LEU 17 Cb -0.13 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1n91 s LEU 17 CO 0.01 -0.61 0.08 -0.13 -0.29 0.00 0.00 176.35 175.41 1n91 s ARG 18 N 1.22 3.93 0.33 1.98 0.52 0.31 -0.20 118.95 127.03 1n91 s ARG 18 Ca 0.07 -0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 54.87 1n91 s ARG 18 Cb -0.24 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 31.94 1n91 s ARG 18 CO -0.03 0.15 0.50 -0.48 0.02 0.00 0.00 175.30 175.46 1n91 s LEU 19 N 0.73 0.77 -0.64 2.53 2.34 -1.04 -4.39 118.68 118.98 1n91 s LEU 19 Ca 0.04 -1.34 -0.07 0.00 0.06 0.00 0.00 54.13 52.82 1n91 s LEU 19 Cb -0.13 1.65 0.17 0.00 -0.56 0.00 0.00 46.19 47.32 1n91 s LEU 19 CO 0.02 -1.30 0.50 -0.47 -1.06 0.00 0.00 176.35 174.04 1n91 s TYR 20 N -3.18 3.51 0.20 3.48 5.04 0.29 -0.93 117.35 125.77 1n91 s TYR 20 Ca 0.28 -2.34 -0.30 0.00 -2.44 0.00 0.00 57.07 52.27 1n91 s TYR 20 Cb -0.01 -3.43 -0.08 0.00 0.35 0.00 0.00 41.96 38.79 1n91 s TYR 20 CO 0.17 -0.92 1.08 -1.50 -1.34 0.00 0.00 175.55 173.04 1n91 s ILE 21 N 0.33 3.82 -0.41 3.14 1.10 0.13 -2.62 121.20 126.69 1n91 s ILE 21 Ca 0.15 1.64 0.02 0.00 -0.51 0.00 0.00 60.65 61.95 1n91 s ILE 21 Cb -0.19 -4.05 0.12 0.00 0.15 0.00 0.00 42.46 38.50 1n91 s ILE 21 CO -0.04 0.31 0.18 -1.58 -2.11 0.00 0.00 174.94 171.70 1n91 s GLN 22 N -0.65 1.37 0.66 3.50 -0.44 0.60 -4.47 119.66 120.23 1n91 s GLN 22 Ca 0.48 -1.94 -0.13 0.00 -2.50 0.00 0.00 55.36 51.26 1n91 s GLN 22 Cb -0.29 -2.67 -0.01 0.00 -1.64 0.00 0.00 33.01 28.41 1n91 s GLN 22 CO 0.36 -1.07 1.07 -2.14 0.50 0.00 0.00 175.29 174.00 1n91 s PRO 23 N 0.56 3.00 -0.47 1.67 0.02 -1.25 -0.36 135.00 138.16 1n91 s PRO 23 Ca 0.15 1.13 -0.01 0.00 0.02 0.00 0.00 61.00 62.29 1n91 s PRO 23 Cb -0.22 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1n91 s PRO 23 CO -0.06 -1.06 0.40 1.63 -0.33 0.00 0.00 177.00 177.57 1n91 n LYS 24 N -2.66 -2.65 -0.01 5.54 5.02 -0.31 -4.86 118.16 118.23 1n91 n LYS 24 Ca 0.08 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.69 1n91 n LYS 24 Cb 0.53 -3.79 -0.00 0.00 -0.02 0.00 0.00 35.03 31.74 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 -2.46 0.11 0.00 7.82 0.00 -0.90 -5.00 120.51 120.08 1n91 n ALA 25 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1n91 n ALA 25 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.75 0.00 -3.64 0.00 3.41 -1.26 -5.00 113.62 104.38 1n91 n SER 26 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.52 1n91 n SER 26 Cb 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 1n91 n SER 26 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1n91 s ARG 27 N 0.00 0.37 -0.77 4.33 3.52 -1.26 -4.83 118.95 120.30 1n91 s ARG 27 Ca 0.00 0.44 -0.25 0.00 -0.13 0.00 0.00 55.73 55.78 1n91 s ARG 27 Cb 0.00 0.18 -0.06 0.00 -1.56 0.00 0.00 34.95 33.51 1n91 s ARG 27 CO 0.00 -0.04 2.04 0.16 -0.81 0.00 0.00 175.30 176.64 1n91 s ASP 28 N 0.18 4.91 -0.09 -2.12 1.47 -1.19 -4.45 116.67 115.39 1n91 s ASP 28 Ca 0.04 -0.13 0.03 0.00 1.18 0.00 0.00 52.55 53.67 1n91 s ASP 28 Cb -0.05 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 39.99 1n91 s ASP 28 CO -0.09 -2.84 -0.17 -0.44 0.68 0.00 0.00 175.17 172.31 1n91 s SER 29 N 8.87 2.37 -1.43 2.11 0.01 -1.08 -4.96 113.70 119.59 1n91 s SER 29 Ca 0.75 -0.42 -0.09 0.00 1.31 0.00 0.00 55.95 57.51 1n91 s SER 29 Cb -0.10 -1.09 0.05 0.00 0.21 0.00 0.00 66.02 65.09 1n91 s SER 29 CO 0.09 0.07 2.46 2.30 0.41 0.00 0.00 173.24 178.58 1n91 n ILE 30 N 3.79 4.57 -0.15 1.44 -5.35 -1.26 -2.18 119.36 120.22 1n91 n ILE 30 Ca -0.21 -3.62 0.06 0.00 -0.27 0.00 0.00 62.75 58.71 1n91 n ILE 30 Cb 0.52 -2.36 0.27 0.00 -1.74 0.00 0.00 39.64 36.32 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 3.02 1.62 -2.34 7.28 0.24 -1.25 -4.04 118.33 122.86 1n91 n VAL 31 Ca 0.62 -0.90 0.02 0.00 -2.04 0.00 0.00 64.34 62.04 1n91 n VAL 31 Cb 0.28 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 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 0.64 0.86 3.61 7.63 0.00 -0.37 -5.03 105.19 112.52 1n91 n GLY 32 Ca 0.19 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 3.54 0.12 0.99 1.43 -1.24 -1.21 118.68 122.30 1n91 s LEU 33 Ca 0.23 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 1n91 s LEU 33 Cb 0.27 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1n91 s LEU 33 CO -0.12 -1.86 0.27 -2.28 0.23 0.00 0.00 176.35 172.59 1n91 s HIS 34 N 7.85 3.50 -0.32 0.29 5.65 0.24 -4.90 115.29 127.60 1n91 s HIS 34 Ca 0.98 0.22 0.25 0.00 0.25 0.00 0.00 55.06 56.76 1n91 s HIS 34 Cb -0.33 -1.74 1.11 0.00 -1.18 0.00 0.00 32.58 30.44 1n91 s HIS 34 CO 0.35 0.53 1.76 0.78 -0.65 0.00 0.00 174.74 177.51 1n91 h GLY 35 N 2.56 0.00 0.00 1.59 0.00 -2.02 -2.97 103.07 102.23 1n91 h GLY 35 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1n91 h GLY 35 CO 0.72 0.00 -0.67 1.22 0.00 0.00 0.00 176.54 177.81 1n91 n ASP 36 N -2.37 3.33 -1.75 0.19 8.00 -1.26 -4.84 116.55 117.85 1n91 n ASP 36 Ca 0.01 -0.12 -0.06 0.00 0.71 0.00 0.00 54.79 55.33 1n91 n ASP 36 Cb 0.20 0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 42.18 1n91 n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n91 n GLU 37 N -1.24 0.20 -3.58 -1.24 1.02 -1.12 -2.77 120.64 111.91 1n91 n GLU 37 Ca 0.00 -1.04 -0.21 0.00 -0.02 0.00 0.00 57.16 55.89 1n91 n GLU 37 Cb 0.00 0.83 -0.15 0.00 -0.02 0.00 0.00 31.44 32.09 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 -2.38 -0.22 -0.33 2.62 1.01 -1.26 -0.59 120.40 119.24 1n91 s VAL 38 Ca 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1n91 s VAL 38 Cb 0.01 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.91 1n91 s VAL 38 CO 0.08 -0.13 0.09 -0.54 0.00 0.00 0.00 175.10 174.60 1n91 s LYS 39 N 2.25 2.55 -0.07 2.72 1.02 -0.35 0.10 119.74 127.96 1n91 s LYS 39 Ca 0.04 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 54.84 1n91 s LYS 39 Cb -0.15 -3.41 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1n91 s LYS 39 CO -0.09 -0.68 -0.22 0.54 -0.92 0.00 0.00 175.35 173.98 1n91 s VAL 40 N 1.35 1.85 -0.55 3.17 0.11 -1.08 -1.24 120.40 124.02 1n91 s VAL 40 Ca -0.02 -0.92 -0.16 0.00 -2.93 0.00 0.00 61.98 57.95 1n91 s VAL 40 Cb -0.20 -1.59 0.13 0.00 -1.53 0.00 0.00 36.38 33.19 1n91 s VAL 40 CO 0.02 0.52 0.52 0.00 -3.33 0.00 0.00 175.10 172.82 1n91 s ALA 41 N 0.18 3.64 0.33 1.54 0.00 -0.93 -0.29 121.76 126.23 1n91 s ALA 41 Ca -0.11 -2.53 -0.17 0.00 0.00 0.00 0.00 51.96 49.15 1n91 s ALA 41 Cb -0.15 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1n91 s ALA 41 CO 0.06 -2.05 0.78 -1.50 0.00 0.00 0.00 175.76 173.05 1n91 s ILE 42 N 1.65 4.61 -0.64 0.00 2.07 0.51 -2.64 121.20 126.77 1n91 s ILE 42 Ca 0.04 1.08 -0.03 0.00 -1.41 0.00 0.00 60.65 60.33 1n91 s ILE 42 Cb -0.29 -3.63 0.24 0.00 0.13 0.00 0.00 42.46 38.90 1n91 s ILE 42 CO 0.03 -0.18 2.32 1.07 -1.91 0.00 0.00 174.94 176.27 1n91 n THR 43 N -0.33 3.43 -4.97 4.00 5.66 -1.26 -1.16 114.28 119.65 1n91 n THR 43 Ca 0.04 -3.46 -0.31 0.00 -3.05 0.00 0.00 64.05 57.27 1n91 n THR 43 Cb 0.53 -1.38 -0.15 0.00 -1.55 0.00 0.00 70.33 67.79 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 -2.96 2.33 1.15 1.79 0.00 -1.26 -4.75 121.76 118.04 1n91 s ALA 44 Ca 0.54 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 1n91 s ALA 44 Cb 0.41 -0.59 0.17 0.00 0.00 0.00 0.00 23.12 23.11 1n91 s ALA 44 CO -0.27 0.54 0.31 -0.35 0.00 0.00 0.00 175.76 175.99 1n91 n PRO 45 N 1.97 -1.93 -2.70 0.00 -0.04 -1.26 -2.18 135.00 128.86 1n91 n PRO 45 Ca -0.17 -0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 62.33 1n91 n PRO 45 Cb 0.52 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1n91 n PRO 45 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1n91 s PRO 46 N -3.73 3.72 0.00 0.54 0.05 -1.26 -4.48 135.00 129.84 1n91 s PRO 46 Ca 0.60 -1.61 0.00 0.00 0.05 0.00 0.00 61.00 60.04 1n91 s PRO 46 Cb -0.16 -5.24 0.00 0.00 0.05 0.00 0.00 34.50 29.15 1n91 s PRO 46 CO 0.66 -2.06 0.00 1.55 0.05 0.00 0.00 177.00 177.20 1n91 n VAL 47 N 6.18 0.00 -0.02 -0.36 3.14 -1.26 -5.06 118.33 120.95 1n91 n VAL 47 Ca 0.34 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.71 1n91 n VAL 47 Cb 0.49 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1n91 n VAL 47 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1n91 h ASP 48 N 0.00 0.00 -1.35 6.55 3.32 -1.89 -3.37 116.42 119.67 1n91 h ASP 48 Ca 0.00 0.00 0.39 0.00 0.02 0.00 0.00 57.03 57.44 1n91 h ASP 48 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1n91 h ASP 48 CO 0.00 0.22 1.07 1.23 -1.72 0.00 0.00 179.24 180.04 1n91 h GLY 49 N -0.31 0.00 0.02 2.75 0.00 -1.95 0.88 103.07 104.45 1n91 h GLY 49 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n91 h GLY 49 CO 0.00 0.00 -0.01 0.06 0.00 0.00 0.00 176.54 176.59 1n91 h GLN 50 N 0.00 -0.03 0.25 4.80 -0.00 -1.83 -2.75 115.11 115.55 1n91 h GLN 50 Ca 0.64 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.96 1n91 h GLN 50 Cb 2.78 0.01 0.04 0.00 -0.00 0.00 0.00 27.48 30.30 1n91 h GLN 50 CO -0.01 -0.02 -1.51 0.00 -0.00 0.00 0.00 178.83 177.29 1n91 h ALA 51 N -1.99 -0.12 0.05 0.06 0.00 -1.55 -3.04 119.26 112.67 1n91 h ALA 51 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 54.91 54.04 1n91 h ALA 51 Cb 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1n91 h ALA 51 CO 0.00 0.74 -0.30 -0.97 0.00 0.00 0.00 179.25 178.73 1n91 h ASN 52 N 0.14 -0.87 -0.10 0.00 -0.73 0.60 0.65 115.58 115.28 1n91 h ASN 52 Ca -0.27 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 1n91 h ASN 52 Cb 2.17 0.34 -0.00 0.00 0.27 0.00 0.00 38.32 41.09 1n91 h ASN 52 CO 0.27 -0.37 0.03 0.77 -0.37 0.00 0.00 177.43 177.75 1n91 h SER 53 N -0.48 0.14 0.16 1.15 4.64 -1.60 -2.43 113.55 115.14 1n91 h SER 53 Ca 0.05 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1n91 h SER 53 Cb 0.54 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1n91 h SER 53 CO -0.22 0.31 -0.16 0.45 -0.87 0.00 0.00 176.83 176.35 1n91 h HIS 54 N -0.03 -0.41 -0.14 4.77 3.86 -1.39 -2.04 115.15 119.77 1n91 h HIS 54 Ca 0.03 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1n91 h HIS 54 Cb 0.22 0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 1n91 h HIS 54 CO -0.00 -0.24 -0.47 1.25 0.86 0.00 0.00 177.93 179.32 1n91 h LEU 55 N -0.35 -1.49 -2.04 2.43 5.85 0.32 1.13 115.31 121.16 1n91 h LEU 55 Ca 0.00 0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1n91 h LEU 55 Cb 0.33 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1n91 h LEU 55 CO -0.04 -0.45 0.36 1.62 -0.34 0.00 0.00 178.44 179.58 1n91 h VAL 56 N -0.53 0.23 0.00 1.05 3.04 -1.33 -0.69 116.25 118.02 1n91 h VAL 56 Ca 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1n91 h VAL 56 Cb 0.65 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1n91 h VAL 56 CO -0.42 0.00 -0.14 0.50 -1.01 0.00 0.00 177.57 176.51 1n91 h LYS 57 N 0.00 0.00 -0.43 4.17 3.64 0.81 -2.30 116.57 122.46 1n91 h LYS 57 Ca 0.10 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1n91 h LYS 57 Cb 0.82 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.56 1n91 h LYS 57 CO -0.00 0.00 -0.55 0.35 -2.27 0.00 0.00 179.45 176.98 1n91 h PHE 58 N -0.53 -1.69 -0.07 1.91 3.57 0.13 0.23 116.94 120.50 1n91 h PHE 58 Ca 0.00 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1n91 h PHE 58 Cb 0.14 0.79 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1n91 h PHE 58 CO -0.06 -0.49 -0.10 1.25 -2.23 0.00 0.00 178.31 176.69 1n91 h LEU 59 N -0.38 0.20 -1.99 0.59 5.85 -1.35 -2.23 115.31 116.00 1n91 h LEU 59 Ca 0.08 -0.53 0.31 0.00 0.84 0.00 0.00 57.88 58.58 1n91 h LEU 59 Cb 0.59 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1n91 h LEU 59 CO -0.61 0.69 0.78 1.23 -0.34 0.00 0.00 178.44 180.19 1n91 h GLY 60 N -0.29 0.02 0.00 3.75 0.00 -1.05 0.71 103.07 106.21 1n91 h GLY 60 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n91 h GLY 60 CO 0.02 -0.00 -0.04 0.50 0.00 0.00 0.00 176.54 177.02 1n91 h LYS 61 N 0.01 0.00 -0.73 4.80 6.56 -0.43 -1.13 116.57 125.65 1n91 h LYS 61 Ca 0.51 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 60.14 1n91 h LYS 61 Cb 2.05 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 33.67 1n91 h LYS 61 CO -0.01 0.00 0.48 1.96 -2.06 0.00 0.00 179.45 179.82 1n91 h GLN 62 N -0.69 0.84 0.00 3.15 1.08 -0.93 -1.00 115.11 117.55 1n91 h GLN 62 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1n91 h GLN 62 Cb 0.04 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1n91 h GLN 62 CO 0.00 0.55 -0.67 0.74 -0.95 0.00 0.00 178.83 178.51 1n91 h PHE 63 N 0.86 0.00 -0.12 2.96 -1.00 0.27 -3.43 116.94 116.48 1n91 h PHE 63 Ca 0.29 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.04 1n91 h PHE 63 Cb 0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1n91 h PHE 63 CO -0.00 0.00 -0.03 0.54 -1.61 0.00 0.00 178.31 177.21 1n91 n ARG 64 N -2.67 -1.94 0.00 1.51 1.74 -0.38 -1.50 116.66 113.42 1n91 n ARG 64 Ca 0.02 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1n91 n ARG 64 Cb 0.52 -4.67 0.00 0.00 -1.02 0.00 0.00 32.46 27.29 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 -1.72 0.00 -4.34 1.55 0.31 -1.23 -4.83 118.33 108.07 1n91 n VAL 65 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.10 1n91 n VAL 65 Cb 0.43 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.26 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 -2.92 2.01 0.26 3.52 0.00 -1.26 -4.98 121.76 118.40 1n91 s ALA 66 Ca 0.00 -1.53 0.20 0.00 0.00 0.00 0.00 51.96 50.63 1n91 s ALA 66 Cb 0.00 -0.16 0.89 0.00 0.00 0.00 0.00 23.12 23.85 1n91 s ALA 66 CO 0.00 0.19 1.84 1.57 0.00 0.00 0.00 175.76 179.36 1n91 h LYS 67 N 3.08 0.00 0.00 0.00 2.10 -1.91 0.86 116.57 120.70 1n91 h LYS 67 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 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 0.54 0.30 -0.50 1.03 -2.00 0.00 0.00 179.45 178.81 1n91 h SER 68 N 0.00 0.00 0.29 7.07 0.87 -2.00 -3.30 113.55 116.48 1n91 h SER 68 Ca -0.00 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1n91 h SER 68 Cb 0.71 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1n91 h SER 68 CO 0.04 0.05 -1.73 0.00 -0.53 0.00 0.00 176.83 174.66 1n91 n GLN 69 N -2.36 0.65 -3.37 2.24 1.13 -0.76 -4.73 117.38 110.17 1n91 n GLN 69 Ca 0.03 -0.09 -0.45 0.00 -1.94 0.00 0.00 57.00 54.55 1n91 n GLN 69 Cb 0.47 -1.61 -0.05 0.00 0.11 0.00 0.00 30.24 29.16 1n91 n GLN 69 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1n91 s VAL 70 N -3.41 5.06 -0.11 5.09 0.11 0.23 -1.05 120.40 126.31 1n91 s VAL 70 Ca -0.06 -1.75 0.01 0.00 -2.93 0.00 0.00 61.98 57.25 1n91 s VAL 70 Cb 0.12 -4.24 -0.01 0.00 -1.53 0.00 0.00 36.38 30.72 1n91 s VAL 70 CO 0.87 -0.88 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.92 1n91 s VAL 71 N 1.28 2.87 -0.96 2.04 1.01 -0.53 -4.84 120.40 121.26 1n91 s VAL 71 Ca 0.06 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1n91 s VAL 71 Cb -0.26 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1n91 s VAL 71 CO 0.00 0.54 1.33 -0.63 0.00 0.00 0.00 175.10 176.34 1n91 s ILE 72 N 0.21 4.16 -1.16 2.22 1.01 -1.26 -0.14 121.20 126.22 1n91 s ILE 72 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1n91 s ILE 72 Cb -0.16 -4.96 0.00 0.00 0.01 0.00 0.00 42.46 37.36 1n91 s ILE 72 CO 0.06 -1.79 0.80 -0.62 0.00 0.00 0.00 174.94 173.38 1n91 n GLU 73 N 8.20 0.00 0.00 2.79 1.02 0.23 -4.60 120.64 128.29 1n91 n GLU 73 Ca 0.27 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1n91 n GLU 73 Cb 0.50 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.30 0.00 0.00 3.49 5.02 -1.23 -4.96 118.16 119.18 1n91 n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n91 n LYS 74 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1n91 n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n91 n GLY 75 N 0.00 0.07 0.68 0.72 0.00 -1.25 -0.21 105.19 105.21 1n91 n GLY 75 Ca 0.00 0.00 0.51 0.00 0.00 0.00 0.00 46.02 46.53 1n91 n GLY 75 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1n91 h GLU 76 N 0.00 0.00 0.00 1.61 4.11 -1.84 -3.02 114.58 115.44 1n91 h GLU 76 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1n91 h GLU 76 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1n91 h GLU 76 CO 0.00 0.00 -0.57 -0.11 0.07 0.00 0.00 179.01 178.40 1n91 n LEU 77 N -4.02 1.35 -4.78 3.06 0.00 -1.26 -4.15 117.00 107.20 1n91 n LEU 77 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 56.12 1n91 n LEU 77 Cb 1.92 0.00 0.07 0.00 0.00 0.00 0.00 43.42 45.41 1n91 n LEU 77 CO 0.42 0.23 0.71 -0.83 0.00 0.00 0.00 177.39 177.92 1n91 s GLY 78 N -3.27 1.83 0.50 -3.96 0.00 -1.14 -4.82 107.32 96.46 1n91 s GLY 78 Ca 0.00 0.32 0.17 0.00 0.00 0.00 0.00 44.72 45.21 1n91 s GLY 78 CO 0.00 0.66 2.10 3.21 0.00 0.00 0.00 173.10 179.07 1n91 h ARG 79 N -0.65 0.00 -7.02 2.90 3.08 -1.84 -3.42 114.38 107.44 1n91 h ARG 79 Ca -0.45 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.09 1n91 h ARG 79 Cb 1.23 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.35 1n91 h ARG 79 CO 0.53 0.07 0.48 -3.38 -1.07 0.00 0.00 179.97 176.60 1n91 s HIS 80 N -4.85 2.80 0.00 3.04 -3.43 -1.26 0.21 115.29 111.80 1n91 s HIS 80 Ca -0.05 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 55.74 1n91 s HIS 80 Cb 0.16 -3.40 -0.00 0.00 -1.43 0.00 0.00 32.58 27.91 1n91 s HIS 80 CO 0.66 -1.62 -0.01 0.21 -2.00 0.00 0.00 174.74 171.98 1n91 s LYS 81 N -2.81 0.10 -0.43 -0.38 2.20 -0.10 -3.88 119.74 114.44 1n91 s LYS 81 Ca 0.66 -0.15 0.04 0.00 -0.36 0.00 0.00 55.97 56.16 1n91 s LYS 81 Cb -0.29 -0.01 0.17 0.00 -1.51 0.00 0.00 37.83 36.19 1n91 s LYS 81 CO 0.34 -0.00 0.42 -0.65 -0.36 0.00 0.00 175.35 175.10 1n91 s GLN 82 N -0.34 0.91 0.51 4.03 -1.52 0.71 -2.50 119.66 121.47 1n91 s GLN 82 Ca -0.03 -1.83 -0.13 0.00 -1.95 0.00 0.00 55.36 51.41 1n91 s GLN 82 Cb -0.02 -1.11 -0.06 0.00 -0.22 0.00 0.00 33.01 31.59 1n91 s GLN 82 CO -0.00 -1.36 0.93 0.42 -0.25 0.00 0.00 175.29 175.03 1n91 s ILE 83 N 0.31 4.65 -0.24 1.08 1.01 0.72 0.77 121.20 129.50 1n91 s ILE 83 Ca 0.31 0.94 -0.03 0.00 0.00 0.00 0.00 60.65 61.88 1n91 s ILE 83 Cb 0.02 -3.77 0.08 0.00 0.01 0.00 0.00 42.46 38.80 1n91 s ILE 83 CO -0.16 -0.77 0.08 -0.75 0.00 0.00 0.00 174.94 173.35 1n91 s LYS 84 N -4.31 0.45 -0.52 2.79 2.47 0.80 -0.74 119.74 120.67 1n91 s LYS 84 Ca 0.56 -0.55 -0.18 0.00 -1.56 0.00 0.00 55.97 54.24 1n91 s LYS 84 Cb -0.10 -1.78 0.09 0.00 -1.46 0.00 0.00 37.83 34.57 1n91 s LYS 84 CO 0.37 -0.83 0.57 0.42 0.16 0.00 0.00 175.35 176.04 1n91 s ILE 85 N 1.91 5.01 0.01 5.43 1.09 0.22 -1.45 121.20 133.42 1n91 s ILE 85 Ca 0.05 -0.93 -0.24 0.00 -1.10 0.00 0.00 60.65 58.42 1n91 s ILE 85 Cb -0.17 -4.31 -0.05 0.00 -1.06 0.00 0.00 42.46 36.87 1n91 s ILE 85 CO -0.20 -0.84 0.73 -0.63 -0.10 0.00 0.00 174.94 173.90 1n91 s ILE 86 N 2.22 4.83 -0.38 2.92 1.01 -0.22 -2.06 121.20 129.53 1n91 s ILE 86 Ca 0.09 1.55 -0.19 0.00 0.00 0.00 0.00 60.65 62.10 1n91 s ILE 86 Cb -0.24 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.18 1n91 s ILE 86 CO 0.08 0.34 0.47 -3.20 0.00 0.00 0.00 174.94 172.63 1n91 n ASN 87 N 3.05 -7.11 -4.77 3.58 5.15 -1.16 -4.84 115.26 109.16 1n91 n ASN 87 Ca -0.03 0.45 -0.38 0.00 -0.60 0.00 0.00 54.58 54.03 1n91 n ASN 87 Cb 0.51 -3.91 -0.01 0.00 -0.53 0.00 0.00 39.78 35.84 1n91 n ASN 87 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1n91 s PRO 88 N -2.26 3.93 -0.02 1.20 0.02 -1.26 -4.88 135.00 131.73 1n91 s PRO 88 Ca 0.23 1.85 0.02 0.00 0.02 0.00 0.00 61.00 63.11 1n91 s PRO 88 Cb -0.04 -2.58 -0.03 0.00 0.02 0.00 0.00 34.50 31.87 1n91 s PRO 88 CO 0.73 -0.42 0.01 0.94 -0.33 0.00 0.00 177.00 177.93 1n91 n GLN 89 N -0.13 3.59 -3.68 5.54 -0.06 -1.26 -5.01 117.38 116.37 1n91 n GLN 89 Ca 0.05 -0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.92 1n91 n GLN 89 Cb 0.47 -1.05 -0.13 0.00 -4.06 0.00 0.00 30.24 25.47 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 -2.05 0.17 -0.22 3.69 0.74 -0.56 -5.00 119.66 116.43 1n91 s GLN 90 Ca -0.01 0.72 -0.01 0.00 0.05 0.00 0.00 55.36 56.11 1n91 s GLN 90 Cb 0.01 -0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.10 1n91 s GLN 90 CO 0.08 -0.26 -0.11 -1.50 -0.55 0.00 0.00 175.29 172.96 1n91 s ILE 91 N 2.17 2.64 0.40 -2.34 2.07 -1.26 -4.15 121.20 120.72 1n91 s ILE 91 Ca -0.01 -0.95 -0.26 0.00 -1.41 0.00 0.00 60.65 58.02 1n91 s ILE 91 Cb -0.12 -2.26 -0.09 0.00 0.13 0.00 0.00 42.46 40.13 1n91 s ILE 91 CO -0.09 0.34 1.20 -2.84 -1.91 0.00 0.00 174.94 171.64 1n91 s PRO 92 N 1.32 4.05 0.60 3.50 0.02 -1.26 -4.85 135.00 138.39 1n91 s PRO 92 Ca 0.02 1.92 0.28 0.00 0.02 0.00 0.00 61.00 63.24 1n91 s PRO 92 Cb -0.15 -2.72 1.34 0.00 0.02 0.00 0.00 34.50 32.99 1n91 s PRO 92 CO -0.07 -0.34 1.74 -1.00 -0.33 0.00 0.00 177.00 177.00 1n91 h PRO 93 N 2.69 0.00 0.66 5.54 0.13 -1.99 -1.08 132.00 137.94 1n91 h PRO 93 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1n91 h PRO 93 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1n91 h PRO 93 CO 0.63 0.00 -0.31 1.49 -0.23 0.00 0.00 178.00 179.57 1n91 h GLU 94 N 0.00 -0.85 0.00 0.86 4.57 -2.00 0.74 114.58 117.90 1n91 h GLU 94 Ca 0.26 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1n91 h GLU 94 Cb 1.58 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 1n91 h GLU 94 CO -0.00 -0.54 0.00 0.28 -1.18 0.00 0.00 179.01 177.56 1n91 h VAL 95 N -0.95 0.00 0.00 0.32 2.07 -1.62 -2.23 116.25 113.85 1n91 h VAL 95 Ca -0.09 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1n91 h VAL 95 Cb 0.70 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1n91 h VAL 95 CO 0.15 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.51 1n91 h ALA 96 N 2.01 0.92 0.00 1.67 0.00 -0.81 -2.99 119.26 120.07 1n91 h ALA 96 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1n91 h ALA 96 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n91 h ALA 96 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1n91 h ALA 97 N 1.77 1.00 0.00 0.00 0.00 -0.21 1.40 119.26 123.22 1n91 h ALA 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n91 h ALA 97 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1n91 h ALA 97 CO 0.03 0.00 -1.39 1.28 0.00 0.00 0.00 179.25 179.17 1n91 n LEU 98 N -2.97 0.24 -0.09 0.00 4.77 -1.14 -4.16 117.00 113.64 1n91 n LEU 98 Ca -0.01 -0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 1n91 n LEU 98 Cb 0.17 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1n91 n LEU 98 CO 0.22 0.06 -1.12 -0.38 -1.33 0.00 0.00 177.39 174.84 1n91 n ILE 99 N -1.82 1.15 1.29 -0.08 5.41 -0.88 -4.37 119.36 120.07 1n91 n ILE 99 Ca -0.01 -0.53 0.13 0.00 1.00 0.00 0.00 62.75 63.34 1n91 n ILE 99 Cb 0.35 -1.00 0.69 0.00 -0.71 0.00 0.00 39.64 38.97 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 -2.92 0.00 0.00 4.38 2.85 0.48 -4.54 115.26 115.50 1n91 n ASN 100 Ca -0.33 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.05 1n91 n ASN 100 Cb 0.93 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.67 1n91 n ASN 100 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1n91 n LEU 101 N -1.29 0.00 -3.05 1.20 4.77 -1.25 -4.59 117.00 112.79 1n91 n LEU 101 Ca 0.13 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 1n91 n LEU 101 Cb 0.22 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1n91 n LEU 101 CO 0.21 0.00 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.58 1n91 n GLU 102 N 0.00 -1.62 -0.00 3.23 1.02 -1.26 -4.75 120.64 117.25 1n91 n GLU 102 Ca 0.00 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 1n91 n GLU 102 Cb 0.00 -3.65 -0.05 0.00 -0.02 0.00 0.00 31.44 27.73 1n91 n GLU 102 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1n91 h HIS 103 N -0.36 0.03 -3.67 -0.32 2.76 -1.99 -3.38 115.15 108.22 1n91 h HIS 103 Ca -0.25 0.01 -0.58 0.00 -2.20 0.00 0.00 60.37 57.35 1n91 h HIS 103 Cb 0.95 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.83 1n91 h HIS 103 CO 0.63 0.01 0.77 -3.38 -1.30 0.00 0.00 177.93 174.67 1n91 s HIS 104 N -6.19 2.88 0.00 5.26 0.00 -1.26 -4.71 115.29 111.27 1n91 s HIS 104 Ca -0.13 0.60 0.00 0.00 -3.00 0.00 0.00 55.06 52.53 1n91 s HIS 104 Cb 0.08 -4.19 0.00 0.00 -4.00 0.00 0.00 32.58 24.47 1n91 s HIS 104 CO 0.67 -1.17 0.34 -2.39 -1.00 0.00 0.00 174.74 171.19 1n91 n HIS 105 N 7.49 0.00 -3.71 0.38 -0.00 -1.26 -5.11 115.22 113.02 1n91 n HIS 105 Ca 0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.68 1n91 n HIS 105 Cb 0.49 0.10 -0.09 0.00 -0.00 0.00 0.00 29.99 30.49 1n91 n HIS 105 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1n91 s HIS 106 N 0.00 -0.48 0.00 -1.40 5.04 -1.26 -5.15 115.29 112.04 1n91 s HIS 106 Ca 0.00 1.13 0.00 0.00 -1.54 0.00 0.00 55.06 54.65 1n91 s HIS 106 Cb 0.00 0.18 0.00 0.00 0.04 0.00 0.00 32.58 32.80 1n91 s HIS 106 CO 0.00 -0.28 0.00 1.58 -2.34 0.00 0.00 174.74 173.70 1n91 n HIS 107 N 2.55 0.00 1.12 3.88 -0.00 -1.26 -5.23 115.22 116.29 1n91 n HIS 107 Ca -0.15 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.12 1n91 n HIS 107 Cb 0.57 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.97 1n91 n HIS 107 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52