#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ar5 n ASP 2 N 0.00 0.00 -3.63 7.83 8.00 -1.22 -4.92 116.55 122.60 2ar5 n ASP 2 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 2ar5 n ASP 2 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 2ar5 n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ar5 n GLY 3 N 5.00 -3.14 0.37 0.44 0.00 -1.26 -4.82 105.19 101.78 2ar5 n GLY 3 Ca 0.00 -1.32 0.28 0.00 0.00 0.00 0.00 46.02 44.98 2ar5 n GLY 3 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ar5 h ARG 4 N -3.13 0.23 -6.41 1.61 2.43 -1.98 -3.36 114.38 103.77 2ar5 h ARG 4 Ca -0.41 -0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.20 2ar5 h ARG 4 Cb 1.19 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2ar5 h ARG 4 CO 0.28 0.15 0.88 0.42 -1.51 0.00 0.00 179.97 180.18 2ar5 s ILE 5 N -5.54 3.48 -0.16 1.20 1.09 -1.26 0.25 121.20 120.25 2ar5 s ILE 5 Ca -0.09 0.90 0.15 0.00 -1.10 0.00 0.00 60.65 60.51 2ar5 s ILE 5 Cb 0.30 -3.58 -0.21 0.00 -1.06 0.00 0.00 42.46 37.91 2ar5 s ILE 5 CO 0.80 0.00 0.07 1.17 -0.10 0.00 0.00 174.94 176.88 2ar5 n LYS 6 N 5.35 1.21 -3.74 2.79 4.81 0.96 -3.45 118.16 126.08 2ar5 n LYS 6 Ca 0.14 -0.02 -0.12 0.00 -0.87 0.00 0.00 58.31 57.44 2ar5 n LYS 6 Cb 0.43 -1.43 -0.11 0.00 0.02 0.00 0.00 35.03 33.93 2ar5 n LYS 6 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ar5 s GLU 7 N -2.45 0.37 0.07 1.64 2.02 -0.96 0.53 118.70 119.92 2ar5 s GLU 7 Ca -0.08 0.54 0.02 0.00 0.02 0.00 0.00 54.97 55.47 2ar5 s GLU 7 Cb 0.05 0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.36 2ar5 s GLU 7 CO 0.69 -0.08 -0.07 0.54 0.02 0.00 0.00 175.26 176.36 2ar5 s VAL 8 N 0.56 0.61 -0.01 2.63 0.11 -1.26 -0.91 120.40 122.13 2ar5 s VAL 8 Ca -0.03 -1.49 -0.28 0.00 -2.93 0.00 0.00 61.98 57.25 2ar5 s VAL 8 Cb -0.05 -1.12 0.09 0.00 -1.53 0.00 0.00 36.38 33.77 2ar5 s VAL 8 CO -0.03 -0.62 0.78 -0.94 -3.33 0.00 0.00 175.10 170.96 2ar5 s SER 9 N -2.28 -0.50 -0.53 3.54 1.04 -0.66 -4.80 113.70 109.51 2ar5 s SER 9 Ca 0.00 0.29 -0.25 0.00 0.48 0.00 0.00 55.95 56.48 2ar5 s SER 9 Cb -0.03 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.60 2ar5 s SER 9 CO -0.02 -0.65 0.97 -0.69 0.98 0.00 0.00 173.24 173.83 2ar5 s VAL 10 N -2.30 4.37 0.00 5.02 1.01 -1.26 -0.87 120.40 126.37 2ar5 s VAL 10 Ca -0.02 0.48 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 2ar5 s VAL 10 Cb -0.01 -4.53 -0.26 0.00 0.00 0.00 0.00 36.38 31.58 2ar5 s VAL 10 CO -0.02 -1.07 1.06 0.15 0.00 0.00 0.00 175.10 175.22 2ar5 h PHE 11 N 9.28 0.66 -1.52 5.22 3.57 -0.25 -3.48 116.94 130.42 2ar5 h PHE 11 Ca -0.25 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 60.85 2ar5 h PHE 11 Cb 1.07 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2ar5 h PHE 11 CO 0.92 1.24 0.00 -2.37 -2.23 0.00 0.00 178.31 175.86 2ar5 n THR 12 N -4.13 0.00 -3.62 4.41 5.66 -1.21 -5.01 114.28 110.39 2ar5 n THR 12 Ca -0.12 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.78 2ar5 n THR 12 Cb 0.75 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.50 2ar5 n THR 12 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2ar5 s TYR 13 N -5.76 -0.24 0.06 1.09 -0.85 -1.26 -0.70 117.35 109.68 2ar5 s TYR 13 Ca 0.00 -0.06 -0.18 0.00 -0.52 0.00 0.00 57.07 56.32 2ar5 s TYR 13 Cb 0.00 0.35 0.04 0.00 0.38 0.00 0.00 41.96 42.73 2ar5 s TYR 13 CO 0.00 -0.79 0.41 -3.38 -1.52 0.00 0.00 175.55 170.27 2ar5 s HIS 14 N -3.81 -0.25 -4.70 -3.49 -3.43 -0.48 -4.98 115.29 94.15 2ar5 s HIS 14 Ca 0.04 0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 2ar5 s HIS 14 Cb 0.01 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 2ar5 s HIS 14 CO -0.10 -0.60 0.00 1.63 -2.00 0.00 0.00 174.74 173.68 2ar5 n LYS 15 N 0.36 0.00 -2.20 -0.38 4.76 -1.26 -0.88 118.16 118.56 2ar5 n LYS 15 Ca -0.18 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.22 2ar5 n LYS 15 Cb 0.61 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.77 2ar5 n LYS 15 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2ar5 n LYS 16 N 0.00 -2.92 -4.08 1.97 4.76 -1.25 -4.83 118.16 111.80 2ar5 n LYS 16 Ca 0.00 2.38 -0.07 0.00 -2.87 0.00 0.00 58.31 57.75 2ar5 n LYS 16 Cb 0.00 -3.63 -0.10 0.00 -1.84 0.00 0.00 35.03 29.46 2ar5 n LYS 16 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2ar5 s TYR 17 N -0.46 0.51 -0.69 2.13 2.02 -1.26 -4.73 117.35 114.86 2ar5 s TYR 17 Ca -0.18 -1.06 -0.08 0.00 -0.37 0.00 0.00 57.07 55.38 2ar5 s TYR 17 Cb 0.01 -0.38 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 2ar5 s TYR 17 CO 0.51 -0.39 0.57 0.09 -1.57 0.00 0.00 175.55 174.77 2ar5 n ASN 18 N 0.10 -4.58 0.00 2.29 3.02 -1.26 -4.68 115.26 110.16 2ar5 n ASN 18 Ca -0.14 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 2ar5 n ASN 18 Cb 0.61 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 2ar5 n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2ar5 n PRO 19 N -1.98 0.00 0.00 3.52 -0.02 -1.26 -4.68 135.00 130.58 2ar5 n PRO 19 Ca -0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2ar5 n PRO 19 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 2ar5 n PRO 19 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2ar5 n ASP 20 N 0.00 -0.05 -2.82 2.55 4.64 -1.26 -5.11 116.55 114.49 2ar5 n ASP 20 Ca 0.00 0.06 0.00 0.00 -1.38 0.00 0.00 54.79 53.47 2ar5 n ASP 20 Cb 0.00 0.14 0.00 0.00 -1.04 0.00 0.00 41.12 40.22 2ar5 n ASP 20 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2ar5 n LYS 21 N -2.16 1.48 -4.05 -0.67 4.76 -1.26 -5.06 118.16 111.20 2ar5 n LYS 21 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 2ar5 n LYS 21 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 2ar5 n LYS 21 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2ar5 s HIS 22 N 0.13 0.44 0.20 2.13 -3.43 -1.26 -4.89 115.29 108.61 2ar5 s HIS 22 Ca 0.00 -0.92 -0.08 0.00 -0.80 0.00 0.00 55.06 53.26 2ar5 s HIS 22 Cb 0.00 -0.32 -0.06 0.00 -1.43 0.00 0.00 32.58 30.76 2ar5 s HIS 22 CO 0.00 -0.36 0.49 0.71 -2.00 0.00 0.00 174.74 173.58 2ar5 s TYR 23 N -3.43 3.44 -0.04 0.38 1.51 -1.26 -3.97 117.35 113.99 2ar5 s TYR 23 Ca 0.02 0.74 0.05 0.00 -1.01 0.00 0.00 57.07 56.88 2ar5 s TYR 23 Cb 0.04 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2ar5 s TYR 23 CO -0.08 0.32 -0.20 -1.50 -1.11 0.00 0.00 175.55 172.98 2ar5 s ILE 24 N -1.77 1.65 -0.16 2.71 -1.16 -0.06 -4.36 121.20 118.04 2ar5 s ILE 24 Ca 0.45 -0.85 -0.07 0.00 -0.51 0.00 0.00 60.65 59.66 2ar5 s ILE 24 Cb -0.11 -1.40 -0.04 0.00 0.61 0.00 0.00 42.46 41.52 2ar5 s ILE 24 CO 0.23 0.47 0.09 -0.31 -2.81 0.00 0.00 174.94 172.61 2ar5 s TYR 25 N -0.15 3.37 -0.25 3.50 1.51 0.19 -1.38 117.35 124.14 2ar5 s TYR 25 Ca -0.01 0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 56.18 2ar5 s TYR 25 Cb -0.11 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 2ar5 s TYR 25 CO 0.02 0.37 0.31 0.08 -1.11 0.00 0.00 175.55 175.22 2ar5 s VAL 26 N -0.13 5.23 -0.18 0.71 1.01 0.12 -0.50 120.40 126.67 2ar5 s VAL 26 Ca 0.08 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 2ar5 s VAL 26 Cb -0.12 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2ar5 s VAL 26 CO 0.01 0.22 -0.01 -0.69 0.00 0.00 0.00 175.10 174.62 2ar5 s VAL 27 N 1.73 3.95 -0.19 2.92 1.01 0.67 0.54 120.40 131.02 2ar5 s VAL 27 Ca 0.13 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 2ar5 s VAL 27 Cb -0.15 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2ar5 s VAL 27 CO 0.09 0.46 0.13 -0.60 0.00 0.00 0.00 175.10 175.18 2ar5 s ARG 28 N 0.71 4.12 -0.08 2.72 3.52 -0.04 -1.27 118.95 128.62 2ar5 s ARG 28 Ca -0.01 -0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.41 2ar5 s ARG 28 Cb -0.14 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 2ar5 s ARG 28 CO 0.02 0.34 -0.17 0.42 -0.81 0.00 0.00 175.30 175.10 2ar5 s ILE 29 N 0.24 1.51 -0.15 4.11 -1.09 0.12 -1.65 121.20 124.30 2ar5 s ILE 29 Ca 0.09 -0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 57.81 2ar5 s ILE 29 Cb -0.11 -1.35 -0.01 0.00 -1.58 0.00 0.00 42.46 39.41 2ar5 s ILE 29 CO -0.01 0.44 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.79 2ar5 s LEU 30 N 0.61 2.70 0.12 2.97 2.96 -0.09 -0.32 118.68 127.63 2ar5 s LEU 30 Ca -0.15 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.49 2ar5 s LEU 30 Cb -0.16 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2ar5 s LEU 30 CO 0.05 0.13 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.93 2ar5 s ARG 31 N 0.58 1.92 0.44 1.98 0.52 -1.26 -0.03 118.95 123.10 2ar5 s ARG 31 Ca -0.08 -1.15 0.20 0.00 -0.52 0.00 0.00 55.73 54.18 2ar5 s ARG 31 Cb -0.16 -2.17 1.16 0.00 0.52 0.00 0.00 34.95 34.30 2ar5 s ARG 31 CO 0.03 0.48 1.87 0.93 0.02 0.00 0.00 175.30 178.63 2ar5 h GLU 32 N 3.57 0.32 -0.00 3.54 5.08 -0.55 -1.91 114.58 124.62 2ar5 h GLU 32 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2ar5 h GLU 32 Cb 1.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2ar5 h GLU 32 CO 0.49 0.21 -0.21 0.41 -1.00 0.00 0.00 179.01 178.91 2ar5 n GLY 33 N -1.55 -1.25 3.61 -3.84 0.00 -1.26 -4.87 105.19 96.04 2ar5 n GLY 33 Ca 0.18 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2ar5 n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ar5 s GLN 34 N -2.85 2.22 -0.14 1.61 0.74 -0.72 -5.04 119.66 115.48 2ar5 s GLN 34 Ca 0.17 -1.24 -0.17 0.00 0.05 0.00 0.00 55.36 54.17 2ar5 s GLN 34 Cb 0.19 -2.23 -0.25 0.00 1.10 0.00 0.00 33.01 31.82 2ar5 s GLN 34 CO 0.57 0.43 0.46 0.82 -0.55 0.00 0.00 175.29 177.02 2ar5 h ILE 35 N 2.50 1.01 -3.06 -2.34 1.08 -1.89 -3.43 117.51 111.37 2ar5 h ILE 35 Ca -0.46 -2.33 -0.60 0.00 -0.39 0.00 0.00 64.86 61.08 2ar5 h ILE 35 Cb 1.21 2.61 -0.04 0.00 -3.07 0.00 0.00 36.82 37.53 2ar5 h ILE 35 CO 0.57 0.62 -0.34 -1.61 -0.69 0.00 0.00 178.15 176.70 2ar5 s GLU 36 N -2.44 3.62 0.87 2.37 0.41 -1.26 -5.04 118.70 117.23 2ar5 s GLU 36 Ca -0.22 -0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.16 2ar5 s GLU 36 Cb 0.04 -2.96 0.12 0.00 -1.78 0.00 0.00 34.13 29.56 2ar5 s GLU 36 CO 0.71 0.55 1.10 -1.25 -0.49 0.00 0.00 175.26 175.89 2ar5 s PRO 37 N -2.25 1.40 0.23 0.39 0.04 -1.26 -4.81 135.00 128.75 2ar5 s PRO 37 Ca 0.35 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.65 2ar5 s PRO 37 Cb -0.13 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2ar5 s PRO 37 CO 0.21 -2.25 0.20 -1.12 0.04 0.00 0.00 177.00 174.08 2ar5 s SER 38 N -3.10 5.58 -0.06 6.66 0.01 0.56 -4.94 113.70 118.42 2ar5 s SER 38 Ca 0.64 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.73 2ar5 s SER 38 Cb -0.20 -1.45 0.01 0.00 0.21 0.00 0.00 66.02 64.59 2ar5 s SER 38 CO 0.57 -0.02 -0.15 -0.36 0.41 0.00 0.00 173.24 173.69 2ar5 s PHE 39 N -2.05 1.64 0.27 2.43 0.40 -1.26 -0.70 117.98 118.70 2ar5 s PHE 39 Ca 0.33 -0.57 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 2ar5 s PHE 39 Cb -0.08 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 2ar5 s PHE 39 CO 0.25 -0.25 -0.10 0.14 0.70 0.00 0.00 175.22 175.96 2ar5 s VAL 40 N 0.40 1.84 -0.19 -0.44 -7.23 -0.40 -4.60 120.40 109.79 2ar5 s VAL 40 Ca -0.11 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 57.88 2ar5 s VAL 40 Cb -0.14 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2ar5 s VAL 40 CO 0.04 -0.38 -0.19 -0.36 -0.31 0.00 0.00 175.10 173.90 2ar5 s PHE 41 N -2.89 2.81 -0.02 2.82 0.40 0.24 -0.24 117.98 121.10 2ar5 s PHE 41 Ca 0.28 -1.71 -0.00 0.00 -0.60 0.00 0.00 56.93 54.90 2ar5 s PHE 41 Cb 0.01 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.66 2ar5 s PHE 41 CO 0.11 -0.81 0.03 1.03 0.70 0.00 0.00 175.22 176.29 2ar5 s ARG 42 N 1.28 -0.02 0.84 0.44 1.81 0.35 -4.63 118.95 119.01 2ar5 s ARG 42 Ca 0.03 0.17 -0.12 0.00 -1.72 0.00 0.00 55.73 54.09 2ar5 s ARG 42 Cb -0.14 -0.19 0.10 0.00 -0.45 0.00 0.00 34.95 34.27 2ar5 s ARG 42 CO -0.12 -0.14 1.12 0.95 -0.68 0.00 0.00 175.30 176.44 2ar5 s THR 43 N 0.87 2.51 0.24 0.02 -4.23 -1.26 -0.63 115.64 113.16 2ar5 s THR 43 Ca -0.07 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 2ar5 s THR 43 Cb -0.10 -2.96 0.23 0.00 1.34 0.00 0.00 72.50 71.00 2ar5 s THR 43 CO -0.03 -0.22 1.87 0.15 -0.54 0.00 0.00 174.62 175.86 2ar5 h PHE 44 N -1.23 1.07 -0.19 3.99 3.57 -1.99 -1.82 116.94 120.34 2ar5 h PHE 44 Ca -0.48 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 60.97 2ar5 h PHE 44 Cb 1.30 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2ar5 h PHE 44 CO 0.37 0.57 -0.21 -0.44 -2.23 0.00 0.00 178.31 176.38 2ar5 h ASP 45 N 1.07 0.33 -0.35 0.41 3.32 -1.94 -0.23 116.42 119.03 2ar5 h ASP 45 Ca 0.38 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 2ar5 h ASP 45 Cb 0.10 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2ar5 h ASP 45 CO -0.15 0.56 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.47 2ar5 h GLU 46 N 0.31 0.81 -0.47 3.56 5.08 -1.72 0.21 114.58 122.35 2ar5 h GLU 46 Ca 0.05 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2ar5 h GLU 46 Cb 0.55 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2ar5 h GLU 46 CO 0.04 0.90 0.19 0.74 -1.00 0.00 0.00 179.01 179.88 2ar5 h PHE 47 N 0.72 0.70 -0.54 4.33 -1.00 -0.70 -1.54 116.94 118.92 2ar5 h PHE 47 Ca 0.12 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 2ar5 h PHE 47 Cb 0.63 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 2ar5 h PHE 47 CO 0.03 0.59 -0.03 0.37 -1.61 0.00 0.00 178.31 177.67 2ar5 h GLN 48 N 0.61 0.93 -0.44 1.51 5.75 -0.74 -1.64 115.11 121.09 2ar5 h GLN 48 Ca 0.16 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2ar5 h GLN 48 Cb 0.18 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 2ar5 h GLN 48 CO -0.01 0.94 0.25 1.49 -2.65 0.00 0.00 178.83 178.84 2ar5 h GLU 49 N 0.86 0.61 -0.34 1.69 4.81 -0.56 0.45 114.58 122.10 2ar5 h GLU 49 Ca 0.15 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2ar5 h GLU 49 Cb 0.54 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2ar5 h GLU 49 CO 0.03 0.48 0.04 1.25 -0.73 0.00 0.00 179.01 180.08 2ar5 h LEU 50 N 0.58 -0.06 -0.59 1.64 5.85 -0.83 0.66 115.31 122.56 2ar5 h LEU 50 Ca 0.16 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2ar5 h LEU 50 Cb 0.05 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2ar5 h LEU 50 CO -0.03 0.01 0.33 -0.74 -0.34 0.00 0.00 178.44 177.67 2ar5 h HIS 51 N 0.14 0.81 -0.80 1.25 2.76 -0.79 -0.91 115.15 117.62 2ar5 h HIS 51 Ca 0.16 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2ar5 h HIS 51 Cb 0.20 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 2ar5 h HIS 51 CO -0.21 0.58 0.42 -0.91 -1.30 0.00 0.00 177.93 176.51 2ar5 h ASN 52 N 0.80 1.01 -0.21 3.26 2.35 -0.61 -1.09 115.58 121.08 2ar5 h ASN 52 Ca 0.21 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2ar5 h ASN 52 Cb 0.04 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2ar5 h ASN 52 CO -0.03 0.82 -0.14 0.11 -1.65 0.00 0.00 177.43 176.54 2ar5 h LYS 53 N 1.12 0.47 -0.38 0.81 1.57 -0.48 -2.89 116.57 116.80 2ar5 h LYS 53 Ca 0.28 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2ar5 h LYS 53 Cb 0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2ar5 h LYS 53 CO -0.04 0.77 0.25 -0.07 -0.57 0.00 0.00 179.45 179.80 2ar5 h LEU 54 N 0.17 0.38 -1.54 2.94 3.38 -0.92 -2.08 115.31 117.64 2ar5 h LEU 54 Ca 0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2ar5 h LEU 54 Cb 0.65 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ar5 h LEU 54 CO 0.04 0.27 -0.19 0.28 0.09 0.00 0.00 178.44 178.93 2ar5 h SER 55 N 0.45 0.06 -0.66 -0.43 0.02 -1.00 0.12 113.55 112.11 2ar5 h SER 55 Ca 0.15 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2ar5 h SER 55 Cb 0.05 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2ar5 h SER 55 CO -0.03 0.25 0.42 0.40 -1.14 0.00 0.00 176.83 176.73 2ar5 h ILE 56 N 0.06 1.12 0.00 3.27 1.08 -1.20 -3.31 117.51 118.53 2ar5 h ILE 56 Ca 0.01 -0.29 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 2ar5 h ILE 56 Cb 0.37 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 2ar5 h ILE 56 CO 0.03 0.15 -1.99 2.30 -0.69 0.00 0.00 178.15 177.95 2ar5 n ILE 57 N -4.67 0.31 -4.84 -0.67 -5.35 -0.84 -4.95 119.36 98.35 2ar5 n ILE 57 Ca 0.06 -0.57 -0.30 0.00 -0.27 0.00 0.00 62.75 61.67 2ar5 n ILE 57 Cb 0.05 -0.12 -0.14 0.00 -1.74 0.00 0.00 39.64 37.69 2ar5 n ILE 57 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2ar5 s PHE 58 N -3.32 2.38 0.51 4.28 0.40 0.37 -5.13 117.98 117.48 2ar5 s PHE 58 Ca -0.08 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 55.66 2ar5 s PHE 58 Cb 0.12 -1.41 -0.06 0.00 0.51 0.00 0.00 43.02 42.19 2ar5 s PHE 58 CO 0.89 0.16 1.22 -1.25 0.70 0.00 0.00 175.22 176.93 2ar5 s PRO 59 N -1.29 3.42 0.55 0.24 0.04 -1.26 -4.44 135.00 132.25 2ar5 s PRO 59 Ca 0.12 1.89 0.36 0.00 0.04 0.00 0.00 61.00 63.41 2ar5 s PRO 59 Cb -0.10 -2.24 1.73 0.00 0.04 0.00 0.00 34.50 33.93 2ar5 s PRO 59 CO 0.03 -0.86 2.08 -0.07 0.04 0.00 0.00 177.00 178.22 2ar5 h LEU 60 N 1.60 0.00 -2.04 -3.56 3.38 -1.94 -2.09 115.31 110.66 2ar5 h LEU 60 Ca -0.50 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2ar5 h LEU 60 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2ar5 h LEU 60 CO 0.58 0.00 -0.09 4.11 0.09 0.00 0.00 178.44 183.13 2ar5 h TRP 61 N 0.00 0.00 0.00 1.13 5.08 -1.99 -1.87 115.95 118.30 2ar5 h TRP 61 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2ar5 h TRP 61 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 2ar5 h TRP 61 CO 0.00 0.09 -0.06 1.63 -1.28 0.00 0.00 178.44 178.82 2ar5 n LYS 62 N -3.77 0.15 -4.17 0.12 5.02 -0.79 -4.89 118.16 109.83 2ar5 n LYS 62 Ca -0.02 0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 56.12 2ar5 n LYS 62 Cb 0.19 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 2ar5 n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ar5 s LEU 63 N -3.83 3.50 0.73 -0.35 1.43 -0.71 -4.74 118.68 114.71 2ar5 s LEU 63 Ca 0.12 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 2ar5 s LEU 63 Cb 0.15 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2ar5 s LEU 63 CO 0.58 0.06 1.20 -2.84 0.23 0.00 0.00 176.35 175.58 2ar5 s PRO 64 N -3.18 2.18 0.27 1.29 0.02 -1.26 -4.98 135.00 129.34 2ar5 s PRO 64 Ca 0.29 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 2ar5 s PRO 64 Cb -0.09 -1.84 -0.13 0.00 0.02 0.00 0.00 34.50 32.46 2ar5 s PRO 64 CO 0.21 -1.80 1.45 0.41 -0.33 0.00 0.00 177.00 176.94 2ar5 n GLY 65 N 0.33 0.92 3.63 0.52 0.00 -1.26 -5.01 105.19 104.33 2ar5 n GLY 65 Ca 0.13 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.27 2ar5 n GLY 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ar5 s PHE 66 N -0.17 3.21 -1.28 1.61 5.36 -1.26 -4.86 117.98 120.59 2ar5 s PHE 66 Ca 0.65 0.05 -0.17 0.00 -0.96 0.00 0.00 56.93 56.50 2ar5 s PHE 66 Cb -0.59 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.10 2ar5 s PHE 66 CO 0.51 0.21 2.01 -0.35 -1.46 0.00 0.00 175.22 176.14 2ar5 n PRO 67 N 3.17 2.62 -2.75 10.12 -0.04 -1.26 -4.95 135.00 141.92 2ar5 n PRO 67 Ca -0.17 -2.66 -0.40 0.00 -0.04 0.00 0.00 63.50 60.22 2ar5 n PRO 67 Cb 0.53 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.60 2ar5 n PRO 67 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2ar5 s ASN 68 N 4.08 7.59 0.00 3.54 3.84 -1.26 -5.00 114.94 127.73 2ar5 s ASN 68 Ca 0.53 1.89 0.00 0.00 0.21 0.00 0.00 52.86 55.49 2ar5 s ASN 68 Cb 0.10 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 2ar5 s ASN 68 CO 0.01 0.08 0.00 -1.14 -2.79 0.00 0.00 177.10 173.26 2ar5 n ARG 69 N 1.95 0.00 0.00 0.43 0.63 -1.26 -5.16 116.66 113.24 2ar5 n ARG 69 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2ar5 n ARG 69 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 2ar5 n ARG 69 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 2ar5 n MET 70 N 0.00 0.00 0.00 -0.14 1.56 -1.26 -5.09 117.12 112.19 2ar5 n MET 70 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2ar5 n MET 70 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 2ar5 n MET 70 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 2ar5 n VAL 71 N 0.00 0.00 0.00 1.12 3.14 -1.26 -5.05 118.33 116.28 2ar5 n VAL 71 Ca 0.00 0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2ar5 n VAL 71 Cb 0.00 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 2ar5 n VAL 71 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2ar5 n LEU 72 N -1.09 0.00 0.00 6.55 4.32 -1.26 -5.16 117.00 120.36 2ar5 n LEU 72 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2ar5 n LEU 72 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2ar5 n LEU 72 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2ar5 n GLY 73 N 0.00 1.54 1.83 -0.72 0.00 -1.26 -4.85 105.19 101.73 2ar5 n GLY 73 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2ar5 n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ar5 n ARG 74 N -0.19 -4.48 0.00 1.61 -4.01 -1.26 -5.13 116.66 103.20 2ar5 n ARG 74 Ca 0.00 3.28 0.00 0.00 -1.04 0.00 0.00 57.85 60.09 2ar5 n ARG 74 Cb 0.00 -3.54 0.00 0.00 -3.04 0.00 0.00 32.46 25.88 2ar5 n ARG 74 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2ar5 n THR 75 N 1.53 0.00 -1.17 8.89 5.66 -1.26 -4.97 114.28 122.97 2ar5 n THR 75 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 2ar5 n THR 75 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 2ar5 n THR 75 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2ar5 n HIS 76 N 0.00 1.42 0.00 1.09 -0.00 -1.26 -5.02 115.22 111.46 2ar5 n HIS 76 Ca 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 57.72 55.82 2ar5 n HIS 76 Cb 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 29.99 28.80 2ar5 n HIS 76 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2ar5 n ILE 77 N 0.77 0.00 -2.66 3.57 5.41 -1.26 -3.17 119.36 122.02 2ar5 n ILE 77 Ca 0.39 0.00 0.02 0.00 1.00 0.00 0.00 62.75 64.16 2ar5 n ILE 77 Cb 0.59 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.55 2ar5 n ILE 77 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2ar5 n LYS 78 N 14.00 0.86 0.00 0.38 4.76 -1.26 -4.32 118.16 132.58 2ar5 n LYS 78 Ca 0.00 -2.70 0.06 0.00 -2.87 0.00 0.00 58.31 52.80 2ar5 n LYS 78 Cb 0.00 -0.76 0.27 0.00 -1.84 0.00 0.00 35.03 32.70 2ar5 n LYS 78 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ar5 n ASP 79 N -0.08 0.00 -0.13 4.39 8.00 -1.19 -3.51 116.55 124.03 2ar5 n ASP 79 Ca 0.05 0.46 -0.10 0.00 0.71 0.00 0.00 54.79 55.92 2ar5 n ASP 79 Cb 0.97 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 2ar5 n ASP 79 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ar5 h VAL 80 N 0.00 1.25 -0.49 2.53 2.07 -1.75 -0.60 116.25 119.25 2ar5 h VAL 80 Ca 0.00 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2ar5 h VAL 80 Cb 0.20 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2ar5 h VAL 80 CO 0.00 0.31 0.25 0.00 0.02 0.00 0.00 177.57 178.14 2ar5 h ALA 81 N 0.90 0.63 -0.64 1.67 0.00 -1.89 0.21 119.26 120.14 2ar5 h ALA 81 Ca 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2ar5 h ALA 81 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2ar5 h ALA 81 CO 0.01 -0.10 0.14 0.00 0.00 0.00 0.00 179.25 179.30 2ar5 h ALA 82 N 1.27 0.85 -0.54 0.00 0.00 -1.69 -1.22 119.26 117.92 2ar5 h ALA 82 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ar5 h ALA 82 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2ar5 h ALA 82 CO -0.15 0.58 0.20 -0.22 0.00 0.00 0.00 179.25 179.66 2ar5 h LYS 83 N 0.96 0.82 -0.02 0.00 3.64 -0.55 -3.04 116.57 118.38 2ar5 h LYS 83 Ca 0.20 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2ar5 h LYS 83 Cb 0.38 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2ar5 h LYS 83 CO 0.01 0.73 -0.36 0.00 -2.27 0.00 0.00 179.45 177.55 2ar5 h ARG 84 N 0.74 0.03 -0.40 1.90 3.08 -0.21 -1.82 114.38 117.70 2ar5 h ARG 84 Ca 0.18 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.29 2ar5 h ARG 84 Cb 0.22 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 2ar5 h ARG 84 CO -0.01 0.39 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.04 2ar5 h LYS 85 N 0.03 0.09 -0.20 0.04 3.64 -1.11 0.27 116.57 119.33 2ar5 h LYS 85 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2ar5 h LYS 85 Cb 0.66 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2ar5 h LYS 85 CO 0.05 0.06 -0.04 0.82 -2.27 0.00 0.00 179.45 178.07 2ar5 h ILE 86 N 0.09 1.28 -0.22 2.00 2.04 -1.51 -2.23 117.51 118.96 2ar5 h ILE 86 Ca 0.20 -1.00 -0.15 0.00 1.00 0.00 0.00 64.86 64.91 2ar5 h ILE 86 Cb 0.28 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2ar5 h ILE 86 CO -0.34 0.30 -0.48 -0.33 0.00 0.00 0.00 178.15 177.30 2ar5 h GLU 87 N 0.10 0.60 -0.16 2.37 5.08 -0.99 -0.42 114.58 121.16 2ar5 h GLU 87 Ca 0.05 -0.34 -0.19 0.00 -1.00 0.00 0.00 59.36 57.87 2ar5 h GLU 87 Cb 0.47 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ar5 h GLU 87 CO 0.02 0.95 -0.69 -0.07 -1.00 0.00 0.00 179.01 178.22 2ar5 h LEU 88 N 0.47 0.74 -0.86 1.33 3.38 -0.54 -1.10 115.31 118.74 2ar5 h LEU 88 Ca 0.02 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.60 2ar5 h LEU 88 Cb 1.01 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2ar5 h LEU 88 CO 0.09 1.22 0.54 -1.13 0.09 0.00 0.00 178.44 179.25 2ar5 h ASN 89 N 0.46 0.85 0.04 -0.43 -0.73 -1.11 -1.00 115.58 113.65 2ar5 h ASN 89 Ca -0.02 0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.05 2ar5 h ASN 89 Cb 1.28 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 2ar5 h ASN 89 CO 0.13 0.55 -0.33 0.28 -0.37 0.00 0.00 177.43 177.70 2ar5 h SER 90 N 0.99 0.43 -0.07 1.15 0.02 -0.78 -1.65 113.55 113.63 2ar5 h SER 90 Ca 0.37 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2ar5 h SER 90 Cb 0.15 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2ar5 h SER 90 CO -0.17 0.73 0.03 0.22 -1.14 0.00 0.00 176.83 176.51 2ar5 h TYR 91 N 0.36 0.09 -0.99 3.45 3.20 -0.83 -1.78 116.97 120.48 2ar5 h TYR 91 Ca 0.04 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2ar5 h TYR 91 Cb 0.75 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 2ar5 h TYR 91 CO 0.02 0.18 0.64 -0.07 -1.64 0.00 0.00 178.16 177.29 2ar5 h LEU 92 N -0.01 1.15 -0.38 2.82 3.38 -0.92 0.87 115.31 122.21 2ar5 h LEU 92 Ca 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2ar5 h LEU 92 Cb 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2ar5 h LEU 92 CO -0.00 0.84 0.21 1.56 0.09 0.00 0.00 178.44 181.15 2ar5 h GLN 93 N 1.34 0.53 -0.38 1.13 1.08 -1.03 -1.41 115.11 116.37 2ar5 h GLN 93 Ca 0.36 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2ar5 h GLN 93 Cb -0.13 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 2ar5 h GLN 93 CO -0.07 0.43 0.25 0.77 -0.95 0.00 0.00 178.83 179.25 2ar5 h SER 94 N 0.49 0.43 -0.50 1.46 0.02 -1.12 -1.54 113.55 112.80 2ar5 h SER 94 Ca 0.13 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2ar5 h SER 94 Cb 0.05 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2ar5 h SER 94 CO -0.02 0.32 0.33 0.25 -1.14 0.00 0.00 176.83 176.56 2ar5 h LEU 95 N 0.51 0.57 0.00 5.07 6.46 -0.57 -1.79 115.31 125.56 2ar5 h LEU 95 Ca 0.14 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2ar5 h LEU 95 Cb -0.06 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 2ar5 h LEU 95 CO -0.03 0.41 0.00 0.23 -0.62 0.00 0.00 178.44 178.43 2ar5 n MET 96 N -4.74 0.20 -0.39 1.25 2.81 -0.56 -2.36 117.12 113.33 2ar5 n MET 96 Ca 0.03 0.02 0.09 0.00 -1.81 0.00 0.00 57.70 56.02 2ar5 n MET 96 Cb 0.03 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.31 2ar5 n MET 96 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2ar5 n ASN 97 N -1.39 3.86 -3.81 7.83 5.03 -0.60 -4.91 115.26 121.28 2ar5 n ASN 97 Ca 0.10 -2.26 -0.30 0.00 0.87 0.00 0.00 54.58 52.99 2ar5 n ASN 97 Cb 0.28 -0.44 0.24 0.00 -1.02 0.00 0.00 39.78 38.83 2ar5 n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ar5 s ALA 98 N -1.48 0.83 0.60 5.41 0.00 -0.73 -4.99 121.76 121.39 2ar5 s ALA 98 Ca 0.40 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 2ar5 s ALA 98 Cb 0.24 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 2ar5 s ALA 98 CO 0.22 -3.46 0.87 -1.13 0.00 0.00 0.00 175.76 172.26 2ar5 n SER 99 N -4.65 0.38 -0.18 0.00 3.41 -1.26 -4.61 113.62 106.72 2ar5 n SER 99 Ca 0.14 0.79 0.05 0.00 -0.26 0.00 0.00 58.87 59.59 2ar5 n SER 99 Cb 0.60 -1.34 0.34 0.00 -0.26 0.00 0.00 64.21 63.54 2ar5 n SER 99 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2ar5 h THR 100 N 0.43 1.06 -0.12 6.66 2.02 -1.96 -0.23 112.91 120.77 2ar5 h THR 100 Ca -0.48 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.44 2ar5 h THR 100 Cb 1.37 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2ar5 h THR 100 CO 0.50 0.14 0.08 -2.24 0.37 0.00 0.00 175.52 174.37 2ar5 h ASP 101 N 0.79 0.09 0.00 4.18 2.03 -1.95 0.43 116.42 121.99 2ar5 h ASP 101 Ca 0.30 -0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.47 2ar5 h ASP 101 Cb 0.17 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 2ar5 h ASP 101 CO -0.09 0.07 -0.70 0.58 -1.03 0.00 0.00 179.24 178.07 2ar5 h VAL 102 N 0.11 1.14 0.00 4.15 2.07 -1.61 -3.29 116.25 118.82 2ar5 h VAL 102 Ca 0.05 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.43 2ar5 h VAL 102 Cb 0.06 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2ar5 h VAL 102 CO -0.01 0.39 -0.12 0.00 0.02 0.00 0.00 177.57 177.85 2ar5 h ALA 103 N -0.36 1.77 -0.31 1.67 0.00 -0.93 -2.81 119.26 118.28 2ar5 h ALA 103 Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ar5 h ALA 103 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ar5 h ALA 103 CO -0.11 0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.67 2ar5 n GLU 104 N -4.34 3.06 -1.73 0.00 1.02 0.13 -4.74 120.64 114.03 2ar5 n GLU 104 Ca -0.03 -2.69 -0.31 0.00 -0.02 0.00 0.00 57.16 54.11 2ar5 n GLU 104 Cb 0.19 -1.75 0.05 0.00 -0.02 0.00 0.00 31.44 29.91 2ar5 n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ar5 h ASP 106 N -0.68 0.76 -0.41 0.00 1.82 -1.90 0.45 116.42 116.45 2ar5 h ASP 106 Ca -0.45 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.15 2ar5 h ASP 106 Cb 1.23 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 2ar5 h ASP 106 CO 0.61 0.56 0.18 -0.07 -1.61 0.00 0.00 179.24 178.91 2ar5 h LEU 107 N 0.88 0.55 0.04 2.28 3.38 -1.94 -0.11 115.31 120.40 2ar5 h LEU 107 Ca 0.24 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ar5 h LEU 107 Cb -0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2ar5 h LEU 107 CO -0.05 0.54 -0.02 0.58 0.09 0.00 0.00 178.44 179.58 2ar5 h VAL 108 N 0.52 1.19 -0.67 1.22 2.07 -1.71 -2.24 116.25 116.64 2ar5 h VAL 108 Ca 0.14 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 67.02 2ar5 h VAL 108 Cb 0.15 1.71 -0.10 0.00 -1.52 0.00 0.00 31.29 31.53 2ar5 h VAL 108 CO -0.01 0.20 0.17 0.00 0.02 0.00 0.00 177.57 177.94 2ar5 h THR 110 N 0.29 1.17 -0.89 0.00 2.02 -0.99 -2.32 112.91 112.18 2ar5 h THR 110 Ca 0.36 -0.41 0.11 0.00 0.77 0.00 0.00 66.41 67.25 2ar5 h THR 110 Cb 0.57 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 2ar5 h THR 110 CO -0.44 0.18 0.57 0.15 0.37 0.00 0.00 175.52 176.35 2ar5 h PHE 111 N 0.70 0.91 -0.01 3.16 3.57 -0.75 -2.30 116.94 122.23 2ar5 h PHE 111 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2ar5 h PHE 111 Cb 0.02 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2ar5 h PHE 111 CO -0.02 0.40 -0.08 1.19 -2.23 0.00 0.00 178.31 177.57 2ar5 n PHE 112 N -4.54 0.00 -3.70 0.41 0.99 -0.90 -4.86 117.46 104.86 2ar5 n PHE 112 Ca 0.16 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.25 2ar5 n PHE 112 Cb 0.35 -0.06 -0.07 0.00 -1.00 0.00 0.00 39.48 38.70 2ar5 n PHE 112 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 2ar5 s HIS 113 N -2.20 3.48 0.00 1.38 3.76 -0.87 -4.91 115.29 115.93 2ar5 s HIS 113 Ca 0.34 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 2ar5 s HIS 113 Cb 0.21 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.73 2ar5 s HIS 113 CO 0.41 0.39 0.00 0.41 -0.85 0.00 0.00 174.74 175.09 2ar5 n GLY 114 N 3.08 -0.30 0.27 -2.22 0.00 -1.26 -4.82 105.19 99.94 2ar5 n GLY 114 Ca -0.16 -1.06 0.05 0.00 0.00 0.00 0.00 46.02 44.85 2ar5 n GLY 114 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ar5 h SER 115 N 0.00 -0.20 0.00 1.61 0.02 -1.93 -3.37 113.55 109.68 2ar5 h SER 115 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2ar5 h SER 115 Cb 0.00 0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2ar5 h SER 115 CO 0.00 -0.13 -0.30 1.41 -1.14 0.00 0.00 176.83 176.67 2ar5 n HIS 116 N -5.27 0.00 -1.30 3.45 8.25 -1.26 -0.59 115.22 118.50 2ar5 n HIS 116 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2ar5 n HIS 116 Cb 0.48 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2ar5 n HIS 116 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70