#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unr s VAL 4 N 0.00 4.83 0.16 2.12 1.01 -1.26 -5.06 120.40 122.21 1unr s VAL 4 Ca 0.00 1.59 0.11 0.00 0.00 0.00 0.00 61.98 63.68 1unr s VAL 4 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1unr s VAL 4 CO 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 175.10 175.17 1unr s ALA 5 N 0.24 2.45 0.07 5.51 0.00 -1.26 -4.97 121.76 123.79 1unr s ALA 5 Ca 0.39 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.48 1unr s ALA 5 Cb -0.20 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 1unr s ALA 5 CO 0.22 0.47 1.26 0.42 0.00 0.00 0.00 175.76 178.13 1unr s ILE 6 N -1.41 3.81 -0.16 0.00 1.01 -1.26 -1.20 121.20 121.98 1unr s ILE 6 Ca 0.18 1.30 -0.10 0.00 0.00 0.00 0.00 60.65 62.02 1unr s ILE 6 Cb -0.09 -3.83 -0.23 0.00 0.01 0.00 0.00 42.46 38.32 1unr s ILE 6 CO 0.08 0.09 0.23 0.52 0.00 0.00 0.00 174.94 175.87 1unr n VAL 7 N 3.97 1.68 -3.65 2.92 0.31 0.63 -4.90 118.33 119.30 1unr n VAL 7 Ca 0.10 -0.48 -0.14 0.00 -0.01 0.00 0.00 64.34 63.81 1unr n VAL 7 Cb 0.45 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.52 1unr n VAL 7 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1unr s LYS 8 N -2.50 0.76 0.03 5.55 2.20 -1.14 -5.03 119.74 119.60 1unr s LYS 8 Ca -0.26 0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1unr s LYS 8 Cb 0.07 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.73 1unr s LYS 8 CO 0.70 -0.11 -0.02 -1.83 -0.36 0.00 0.00 175.35 173.73 1unr s GLU 9 N 0.19 0.46 0.00 4.03 -1.05 -1.26 -0.81 118.70 120.26 1unr s GLU 9 Ca -0.01 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 1unr s GLU 9 Cb -0.04 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1unr s GLU 9 CO 0.02 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.55 1unr n GLY 10 N 0.88 -0.23 3.75 -3.83 0.00 -0.39 -5.00 105.19 100.37 1unr n GLY 10 Ca -0.19 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 1unr n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1unr s TRP 11 N -2.00 3.88 0.10 1.61 0.52 -1.26 -0.95 118.94 120.84 1unr s TRP 11 Ca 0.00 1.74 0.06 0.00 0.02 0.00 0.00 56.10 57.92 1unr s TRP 11 Cb 0.00 -2.91 -0.03 0.00 -1.15 0.00 0.00 33.47 29.37 1unr s TRP 11 CO 0.00 0.38 -0.16 -0.51 0.02 0.00 0.00 176.95 176.68 1unr s LEU 12 N -0.70 2.34 -0.28 2.99 1.43 0.15 -4.94 118.68 119.66 1unr s LEU 12 Ca 0.41 -0.71 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 1unr s LEU 12 Cb -0.24 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1unr s LEU 12 CO 0.28 -0.06 0.66 -1.00 0.23 0.00 0.00 176.35 176.46 1unr s HIS 13 N -1.58 3.25 -0.14 0.29 3.76 -0.51 -0.67 115.29 119.69 1unr s HIS 13 Ca 0.05 0.75 -0.04 0.00 -0.15 0.00 0.00 55.06 55.67 1unr s HIS 13 Cb -0.08 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.63 1unr s HIS 13 CO 0.03 -0.41 -0.00 0.21 -0.85 0.00 0.00 174.74 173.72 1unr s LYS 14 N 2.61 3.56 0.05 1.40 2.20 0.32 -0.41 119.74 129.47 1unr s LYS 14 Ca 0.27 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 55.17 1unr s LYS 14 Cb -0.15 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 1unr s LYS 14 CO 0.10 0.38 0.84 0.50 -0.36 0.00 0.00 175.35 176.81 1unr s ARG 15 N 0.01 4.56 0.58 4.03 3.52 -0.19 -1.13 118.95 130.33 1unr s ARG 15 Ca 0.03 1.21 -0.20 0.00 -0.13 0.00 0.00 55.73 56.63 1unr s ARG 15 Cb -0.13 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1unr s ARG 15 CO 0.02 0.22 1.25 0.20 -0.81 0.00 0.00 175.30 176.17 1unr s GLY 16 N 0.11 2.79 0.02 8.12 0.00 0.69 -4.62 107.32 114.44 1unr s GLY 16 Ca 0.42 1.10 -0.16 0.00 0.00 0.00 0.00 44.72 46.08 1unr s GLY 16 CO 0.25 1.53 0.99 0.83 0.00 0.00 0.00 173.10 176.70 1unr h GLU 17 N 1.05 0.53 0.00 2.90 3.07 -1.95 -3.31 114.58 116.87 1unr h GLU 17 Ca -0.51 -0.90 0.00 0.00 -0.50 0.00 0.00 59.36 57.45 1unr h GLU 17 Cb 1.30 0.34 0.00 0.00 -0.84 0.00 0.00 28.75 29.55 1unr h GLU 17 CO 0.56 1.43 -0.52 0.98 -1.40 0.00 0.00 179.01 180.05 1unr n TYR 18 N -3.75 0.84 -3.09 4.33 9.36 -1.26 -4.75 117.16 118.84 1unr n TYR 18 Ca -0.17 0.37 -0.43 0.00 3.32 0.00 0.00 57.90 60.99 1unr n TYR 18 Cb 1.09 -0.74 -0.06 0.00 -0.63 0.00 0.00 39.34 39.00 1unr n TYR 18 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1unr s ILE 19 N -2.24 4.78 0.00 2.97 1.01 -1.26 -4.93 121.20 121.52 1unr s ILE 19 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1unr s ILE 19 Cb 0.02 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1unr s ILE 19 CO 0.23 -0.72 0.66 0.29 0.00 0.00 0.00 174.94 175.40 1unr n LYS 20 N 6.39 0.66 -2.16 2.79 5.02 -1.25 -3.25 118.16 126.37 1unr n LYS 20 Ca -0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1unr n LYS 20 Cb 0.47 -1.17 0.02 0.00 -0.02 0.00 0.00 35.03 34.33 1unr n LYS 20 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1unr s THR 21 N 0.34 4.43 -0.20 -0.18 -4.23 -1.26 -4.61 115.64 109.93 1unr s THR 21 Ca 0.00 0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 60.93 1unr s THR 21 Cb 0.00 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 1unr s THR 21 CO 0.00 -0.89 0.09 0.26 -0.54 0.00 0.00 174.62 173.54 1unr s TRP 22 N -3.06 3.29 0.03 3.99 0.52 -1.26 -0.22 118.94 122.24 1unr s TRP 22 Ca 0.53 0.14 0.05 0.00 0.02 0.00 0.00 56.10 56.84 1unr s TRP 22 Cb -0.11 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 1unr s TRP 22 CO 0.50 0.16 -0.14 1.03 0.02 0.00 0.00 176.95 178.51 1unr s ARG 23 N 0.50 0.98 0.16 4.98 1.81 -0.28 -4.91 118.95 122.18 1unr s ARG 23 Ca 0.05 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 53.02 1unr s ARG 23 Cb -0.12 -0.99 -0.07 0.00 -0.45 0.00 0.00 34.95 33.31 1unr s ARG 23 CO 0.00 0.25 1.19 -1.25 -0.68 0.00 0.00 175.30 174.81 1unr s PRO 24 N -1.06 4.48 -0.00 3.54 0.04 -1.26 -0.52 135.00 140.22 1unr s PRO 24 Ca 0.02 1.84 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1unr s PRO 24 Cb -0.08 -3.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 1unr s PRO 24 CO 0.01 -0.12 -0.03 1.03 0.04 0.00 0.00 177.00 177.94 1unr s ARG 25 N 0.06 0.25 -0.37 4.56 1.81 0.15 -4.83 118.95 120.58 1unr s ARG 25 Ca 0.54 -0.10 -0.18 0.00 -1.72 0.00 0.00 55.73 54.27 1unr s ARG 25 Cb -0.32 -0.25 0.00 0.00 -0.45 0.00 0.00 34.95 33.94 1unr s ARG 25 CO 0.35 0.05 0.53 -0.47 -0.68 0.00 0.00 175.30 175.08 1unr s TYR 26 N -0.01 3.16 -0.01 -0.53 5.04 0.08 -0.68 117.35 124.40 1unr s TYR 26 Ca 0.01 0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 1unr s TYR 26 Cb -0.02 -2.99 -0.04 0.00 0.35 0.00 0.00 41.96 39.27 1unr s TYR 26 CO -0.00 -0.60 -0.01 -0.06 -1.34 0.00 0.00 175.55 173.53 1unr s PHE 27 N 2.43 3.05 -0.12 4.97 0.40 -0.13 -0.67 117.98 127.91 1unr s PHE 27 Ca 0.19 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.62 1unr s PHE 27 Cb -0.15 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1unr s PHE 27 CO 0.14 0.44 -0.21 -0.51 0.70 0.00 0.00 175.22 175.78 1unr s LEU 28 N -1.44 2.03 -0.22 -0.37 1.02 0.21 -1.26 118.68 118.64 1unr s LEU 28 Ca 0.18 -0.55 -0.09 0.00 0.02 0.00 0.00 54.13 53.69 1unr s LEU 28 Cb -0.11 -1.36 -0.04 0.00 0.02 0.00 0.00 46.19 44.70 1unr s LEU 28 CO 0.09 0.09 0.10 -0.22 0.02 0.00 0.00 176.35 176.43 1unr s LEU 29 N 0.71 3.85 0.21 1.79 2.96 0.01 -1.37 118.68 126.85 1unr s LEU 29 Ca -0.10 0.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1unr s LEU 29 Cb -0.16 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1unr s LEU 29 CO 0.01 0.08 0.01 -0.54 -1.32 0.00 0.00 176.35 174.59 1unr s LYS 30 N 0.93 2.38 0.00 1.98 1.02 -0.20 -0.27 119.74 125.59 1unr s LYS 30 Ca 0.05 -1.23 0.32 0.00 0.02 0.00 0.00 55.97 55.13 1unr s LYS 30 Cb -0.14 -2.29 1.86 0.00 -0.52 0.00 0.00 37.83 36.75 1unr s LYS 30 CO 0.03 0.42 2.21 0.27 -0.92 0.00 0.00 175.35 177.35 1unr n ASN 31 N -0.48 0.06 -0.41 2.83 0.23 -0.34 -1.14 115.26 116.00 1unr n ASN 31 Ca -0.08 -1.00 0.12 0.00 -0.53 0.00 0.00 54.58 53.09 1unr n ASN 31 Cb 0.57 -0.01 0.52 0.00 -2.08 0.00 0.00 39.78 38.78 1unr n ASN 31 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1unr n ASP 32 N -0.96 1.26 0.00 0.53 5.75 -1.26 -4.92 116.55 116.95 1unr n ASP 32 Ca 0.24 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1unr n ASP 32 Cb 0.12 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1unr n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1unr n GLY 33 N 1.10 0.34 3.72 6.12 0.00 -0.29 -4.92 105.19 111.27 1unr n GLY 33 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1unr n GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1unr n THR 34 N -2.00 0.08 -3.88 2.61 -1.04 -1.24 -0.98 114.28 107.83 1unr n THR 34 Ca 0.00 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.05 61.70 1unr n THR 34 Cb 0.00 -1.99 -0.16 0.00 -1.82 0.00 0.00 70.33 66.36 1unr n THR 34 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1unr s PHE 35 N 1.09 1.87 -0.05 -1.42 5.36 -0.43 -1.04 117.98 123.37 1unr s PHE 35 Ca 0.74 -1.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.40 1unr s PHE 35 Cb -0.50 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.80 1unr s PHE 35 CO 0.33 -0.69 -0.15 -1.50 -1.46 0.00 0.00 175.22 171.75 1unr s ILE 36 N 1.57 1.29 -0.02 3.12 2.07 -0.47 -1.51 121.20 127.26 1unr s ILE 36 Ca -0.03 -0.63 0.05 0.00 -1.41 0.00 0.00 60.65 58.64 1unr s ILE 36 Cb -0.17 -1.12 -0.01 0.00 0.13 0.00 0.00 42.46 41.28 1unr s ILE 36 CO -0.07 0.38 -0.18 -0.83 -1.91 0.00 0.00 174.94 172.33 1unr s GLY 37 N 0.17 0.90 0.16 1.50 0.00 -0.17 -0.62 107.32 109.27 1unr s GLY 37 Ca -0.06 -0.77 0.09 0.00 0.00 0.00 0.00 44.72 43.98 1unr s GLY 37 CO 0.02 -0.60 -0.20 -0.19 0.00 0.00 0.00 173.10 172.13 1unr s TYR 38 N -0.34 1.96 0.33 1.90 1.51 0.15 -0.33 117.35 122.53 1unr s TYR 38 Ca 0.05 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.73 1unr s TYR 38 Cb -0.08 -0.99 0.58 0.00 -0.11 0.00 0.00 41.96 41.36 1unr s TYR 38 CO -0.00 0.36 1.84 -0.22 -1.11 0.00 0.00 175.55 176.42 1unr h LYS 39 N 3.38 0.48 -4.95 -0.62 3.64 -1.88 0.27 116.57 116.89 1unr h LYS 39 Ca -0.44 -0.12 -0.31 0.00 -1.27 0.00 0.00 60.65 58.50 1unr h LYS 39 Cb 1.20 -0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 32.79 1unr h LYS 39 CO 0.48 0.57 -0.73 -2.00 -2.27 0.00 0.00 179.45 175.50 1unr s GLU 40 N -4.82 0.85 -0.21 1.90 -6.30 -1.26 -4.64 118.70 104.22 1unr s GLU 40 Ca -0.07 -1.17 -0.35 0.00 -2.50 0.00 0.00 54.97 50.88 1unr s GLU 40 Cb 0.15 -0.52 -0.12 0.00 0.00 0.00 0.00 34.13 33.64 1unr s GLU 40 CO 0.77 0.08 1.98 -2.13 0.02 0.00 0.00 175.26 175.97 1unr n ARG 41 N 0.51 1.66 -0.48 4.30 0.63 -1.26 -4.79 116.66 117.23 1unr n ARG 41 Ca -0.16 0.56 -0.28 0.00 -0.92 0.00 0.00 57.85 57.05 1unr n ARG 41 Cb 0.58 -2.55 0.26 0.00 0.45 0.00 0.00 32.46 31.21 1unr n ARG 41 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1unr s PRO 42 N 4.81 -1.15 -0.17 -0.14 0.04 -1.26 -5.16 135.00 131.97 1unr s PRO 42 Ca 0.99 0.85 0.18 0.00 0.04 0.00 0.00 61.00 63.06 1unr s PRO 42 Cb -0.78 -1.53 -0.26 0.00 0.04 0.00 0.00 34.50 31.98 1unr s PRO 42 CO 0.52 -3.88 0.13 0.54 0.04 0.00 0.00 177.00 174.35 1unr n ARG 48 N -5.03 0.71 -0.81 4.56 1.74 -1.26 -5.25 116.66 111.32 1unr n ARG 48 Ca 0.02 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1unr n ARG 48 Cb 0.54 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1unr n ARG 48 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1unr n GLU 49 N -2.67 -0.35 -1.60 5.56 -0.58 -1.26 -5.05 120.64 114.69 1unr n GLU 49 Ca -0.28 0.72 -0.42 0.00 -0.42 0.00 0.00 57.16 56.76 1unr n GLU 49 Cb 1.07 -0.49 0.01 0.00 -0.57 0.00 0.00 31.44 31.45 1unr n GLU 49 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1unr n ALA 50 N 0.12 0.10 -1.56 0.62 0.00 -1.26 -4.98 120.51 113.55 1unr n ALA 50 Ca 0.00 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 1unr n ALA 50 Cb 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 19.45 17.42 1unr n ALA 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1unr s PRO 51 N -1.93 2.98 0.17 0.00 0.04 -1.26 -4.85 135.00 130.15 1unr s PRO 51 Ca 0.62 1.27 0.13 0.00 0.04 0.00 0.00 61.00 63.06 1unr s PRO 51 Cb -0.58 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 1unr s PRO 51 CO 0.57 -1.09 1.22 -0.07 0.04 0.00 0.00 177.00 177.67 1unr h LEU 52 N 0.06 0.00 -8.15 -3.56 4.07 -1.03 -3.46 115.31 103.23 1unr h LEU 52 Ca -0.46 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.12 1unr h LEU 52 Cb 1.23 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.72 1unr h LEU 52 CO 0.55 0.66 -0.77 0.20 -1.08 0.00 0.00 178.44 178.01 1unr s ASN 53 N -6.34 1.18 -0.29 -0.43 -0.87 -0.88 -4.99 114.94 102.32 1unr s ASN 53 Ca 0.01 -0.34 0.02 0.00 -1.57 0.00 0.00 52.86 50.98 1unr s ASN 53 Cb 0.08 -0.08 0.20 0.00 -0.02 0.00 0.00 41.25 41.43 1unr s ASN 53 CO 0.78 0.01 0.68 0.21 -2.57 0.00 0.00 177.10 176.21 1unr s ASN 54 N -0.82 -1.37 -0.02 -1.22 2.47 -1.26 -1.00 114.94 111.72 1unr s ASN 54 Ca -0.00 0.30 -0.21 0.00 0.42 0.00 0.00 52.86 53.37 1unr s ASN 54 Cb -0.06 1.93 0.04 0.00 -1.45 0.00 0.00 41.25 41.71 1unr s ASN 54 CO 0.00 -0.25 0.45 0.72 -3.72 0.00 0.00 177.10 174.30 1unr s PHE 55 N 2.86 -0.35 0.20 0.43 -0.12 -0.57 -5.01 117.98 115.43 1unr s PHE 55 Ca 0.14 0.55 -0.28 0.00 -0.05 0.00 0.00 56.93 57.29 1unr s PHE 55 Cb -0.10 0.22 -0.08 0.00 -0.63 0.00 0.00 43.02 42.42 1unr s PHE 55 CO -0.24 -0.48 0.87 0.45 -0.05 0.00 0.00 175.22 175.77 1unr s SER 56 N -1.36 7.53 0.00 1.98 0.15 -1.26 -1.31 113.70 119.43 1unr s SER 56 Ca -0.12 1.81 0.27 0.00 0.70 0.00 0.00 55.95 58.61 1unr s SER 56 Cb -0.03 -2.56 0.76 0.00 -1.71 0.00 0.00 66.02 62.47 1unr s SER 56 CO 0.05 0.17 1.57 1.33 1.20 0.00 0.00 173.24 177.57 1unr n VAL 57 N 1.58 0.00 -1.63 4.45 0.24 -0.15 -4.89 118.33 117.93 1unr n VAL 57 Ca -0.03 -0.24 -0.58 0.00 -2.04 0.00 0.00 64.34 61.45 1unr n VAL 57 Cb 0.48 0.65 -0.07 0.00 -1.47 0.00 0.00 33.84 33.43 1unr n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1unr n ALA 58 N 0.03 -1.44 -1.34 2.33 0.00 -1.26 -1.90 120.51 116.93 1unr n ALA 58 Ca 0.15 0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.97 1unr n ALA 58 Cb 0.39 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 1unr n ALA 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1unr n GLN 59 N 3.30 -1.25 -3.18 0.00 6.02 -1.26 -4.99 117.38 116.01 1unr n GLN 59 Ca 0.23 0.88 -0.21 0.00 -0.01 0.00 0.00 57.00 57.90 1unr n GLN 59 Cb 0.11 -5.07 0.01 0.00 1.02 0.00 0.00 30.24 26.31 1unr n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1unr s GLN 61 N -4.39 2.41 -0.13 0.00 0.74 0.63 -4.94 119.66 113.97 1unr s GLN 61 Ca 0.48 -0.76 -0.06 0.00 0.05 0.00 0.00 55.36 55.07 1unr s GLN 61 Cb -0.10 -2.34 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 1unr s GLN 61 CO 0.35 0.60 0.08 -0.51 -0.55 0.00 0.00 175.29 175.25 1unr s LEU 62 N -0.95 3.97 0.08 3.68 1.43 -1.26 -0.50 118.68 125.14 1unr s LEU 62 Ca 0.13 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 1unr s LEU 62 Cb -0.11 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1unr s LEU 62 CO 0.02 0.32 -0.22 -0.04 0.23 0.00 0.00 176.35 176.66 1unr s MET 63 N -0.50 1.28 -0.01 1.70 -1.94 -0.05 -4.98 119.30 114.79 1unr s MET 63 Ca 0.11 -1.09 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1unr s MET 63 Cb -0.12 -1.50 -0.03 0.00 2.01 0.00 0.00 34.83 35.19 1unr s MET 63 CO 0.02 0.36 -0.17 0.15 -0.01 0.00 0.00 175.02 175.37 1unr s LYS 64 N -1.61 2.30 0.14 2.03 1.02 -1.26 -0.59 119.74 121.76 1unr s LYS 64 Ca 0.08 -0.83 -0.08 0.00 0.02 0.00 0.00 55.97 55.16 1unr s LYS 64 Cb -0.10 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1unr s LYS 64 CO 0.03 0.59 0.22 -0.08 -0.92 0.00 0.00 175.35 175.19 1unr s THR 65 N -0.79 0.09 -0.25 2.17 -1.32 -0.75 -5.00 115.64 109.79 1unr s THR 65 Ca 0.12 -1.42 0.02 0.00 -1.21 0.00 0.00 61.69 59.20 1unr s THR 65 Cb -0.10 -1.74 0.03 0.00 -1.51 0.00 0.00 72.50 69.17 1unr s THR 65 CO 0.02 -0.42 0.69 -0.62 -2.21 0.00 0.00 174.62 172.08 1unr n GLU 66 N -0.15 0.25 -4.26 7.08 -0.58 -1.26 -2.08 120.64 119.64 1unr n GLU 66 Ca -0.09 -0.88 -0.17 0.00 -0.42 0.00 0.00 57.16 55.59 1unr n GLU 66 Cb 0.63 -1.05 -0.14 0.00 -0.57 0.00 0.00 31.44 30.31 1unr n GLU 66 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1unr s ARG 67 N -0.39 0.61 0.20 3.49 1.81 -1.26 -2.64 118.95 120.76 1unr s ARG 67 Ca 0.03 -0.33 0.23 0.00 -1.72 0.00 0.00 55.73 53.94 1unr s ARG 67 Cb 0.02 -0.57 0.91 0.00 -0.45 0.00 0.00 34.95 34.85 1unr s ARG 67 CO 0.03 0.15 1.71 -0.35 -0.68 0.00 0.00 175.30 176.16 1unr n PRO 68 N 2.73 0.17 -4.74 3.54 -0.04 -1.26 -4.99 135.00 130.41 1unr n PRO 68 Ca -0.14 0.32 -0.33 0.00 -0.04 0.00 0.00 63.50 63.31 1unr n PRO 68 Cb 0.57 -1.78 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 1unr n PRO 68 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1unr s ARG 69 N -3.20 3.08 0.78 0.54 0.52 -1.24 -5.11 118.95 114.32 1unr s ARG 69 Ca 0.07 -0.65 -0.14 0.00 -0.52 0.00 0.00 55.73 54.49 1unr s ARG 69 Cb 0.11 -2.59 0.07 0.00 0.52 0.00 0.00 34.95 33.06 1unr s ARG 69 CO 0.44 0.40 1.20 -2.14 0.02 0.00 0.00 175.30 175.21 1unr s PRO 70 N -0.13 1.84 -1.14 3.54 0.02 -1.08 -3.56 135.00 134.49 1unr s PRO 70 Ca -0.00 1.72 -0.05 0.00 0.02 0.00 0.00 61.00 62.68 1unr s PRO 70 Cb -0.13 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.59 1unr s PRO 70 CO 0.03 -2.05 0.67 0.09 -0.33 0.00 0.00 177.00 175.41 1unr n ASN 71 N -3.11 -5.26 -4.85 2.53 3.02 -1.25 -4.69 115.26 101.66 1unr n ASN 71 Ca 0.13 -0.31 -0.36 0.00 -0.03 0.00 0.00 54.58 54.01 1unr n ASN 71 Cb 0.51 -4.00 -0.06 0.00 -0.61 0.00 0.00 39.78 35.62 1unr n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1unr s THR 72 N -3.13 4.99 0.07 3.41 2.01 -0.88 -2.57 115.64 119.54 1unr s THR 72 Ca 0.33 0.74 0.04 0.00 0.31 0.00 0.00 61.69 63.12 1unr s THR 72 Cb -0.15 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1unr s THR 72 CO 0.41 0.40 -0.13 0.72 -0.69 0.00 0.00 174.62 175.34 1unr s PHE 73 N -1.27 1.11 -0.06 4.92 -0.12 -0.03 -1.81 117.98 120.71 1unr s PHE 73 Ca 0.30 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 1unr s PHE 73 Cb -0.16 -0.62 0.00 0.00 -0.63 0.00 0.00 43.02 41.61 1unr s PHE 73 CO 0.17 0.03 -0.17 0.42 -0.05 0.00 0.00 175.22 175.62 1unr s ILE 74 N -1.48 1.46 -0.26 -4.49 1.01 0.24 -0.81 121.20 116.88 1unr s ILE 74 Ca -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1unr s ILE 74 Cb -0.09 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 1unr s ILE 74 CO 0.02 0.42 0.24 -0.63 0.00 0.00 0.00 174.94 175.00 1unr s ILE 75 N 0.33 5.28 -0.14 2.92 1.01 0.09 -0.87 121.20 129.82 1unr s ILE 75 Ca -0.11 0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1unr s ILE 75 Cb -0.15 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 1unr s ILE 75 CO 0.04 0.25 -0.17 -0.60 0.00 0.00 0.00 174.94 174.46 1unr s ARG 76 N 1.62 3.20 -0.13 2.79 3.52 0.35 -0.86 118.95 129.45 1unr s ARG 76 Ca 0.10 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1unr s ARG 76 Cb -0.15 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.72 1unr s ARG 76 CO 0.09 0.10 -0.13 0.00 -0.81 0.00 0.00 175.30 174.54 1unr s LEU 78 N 1.37 4.12 -0.30 0.00 1.98 -1.26 -1.16 118.68 123.44 1unr s LEU 78 Ca 0.01 0.08 -0.02 0.00 -2.89 0.00 0.00 54.13 51.31 1unr s LEU 78 Cb -0.13 -2.31 0.11 0.00 0.66 0.00 0.00 46.19 44.52 1unr s LEU 78 CO -0.07 -0.18 0.19 -1.10 -1.89 0.00 0.00 176.35 173.30 1unr s GLN 79 N 1.96 0.27 4.66 1.98 -0.21 -0.21 -4.99 119.66 123.12 1unr s GLN 79 Ca 0.12 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.00 1unr s GLN 79 Cb -0.16 -1.02 0.00 0.00 1.00 0.00 0.00 33.01 32.83 1unr s GLN 79 CO 0.11 -1.04 0.00 0.91 -2.12 0.00 0.00 175.29 173.14 1unr n TRP 80 N 5.14 0.00 0.38 0.91 7.02 -1.26 -1.25 117.44 128.38 1unr n TRP 80 Ca -0.03 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.52 1unr n TRP 80 Cb 0.43 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.23 1unr n TRP 80 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1unr n THR 81 N 0.00 0.00 -3.53 -0.99 -1.04 -1.26 -4.99 114.28 102.47 1unr n THR 81 Ca 0.00 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.05 61.40 1unr n THR 81 Cb 0.00 0.65 -0.08 0.00 -1.82 0.00 0.00 70.33 69.08 1unr n THR 81 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1unr s THR 82 N -2.60 5.29 -0.20 12.58 -4.23 -0.38 -5.06 115.64 121.04 1unr s THR 82 Ca 0.01 0.48 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 1unr s THR 82 Cb 0.10 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 1unr s THR 82 CO 0.58 0.33 0.38 0.54 -0.54 0.00 0.00 174.62 175.92 1unr s VAL 83 N 0.90 5.21 -0.07 2.29 0.11 -1.26 -1.05 120.40 126.53 1unr s VAL 83 Ca 0.14 0.68 -0.17 0.00 -2.93 0.00 0.00 61.98 59.71 1unr s VAL 83 Cb -0.14 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 30.95 1unr s VAL 83 CO 0.05 0.27 0.46 -0.63 -3.33 0.00 0.00 175.10 171.92 1unr s ILE 84 N 1.20 5.11 -0.03 7.04 1.09 -0.31 -4.95 121.20 130.36 1unr s ILE 84 Ca 0.19 0.93 0.04 0.00 -1.10 0.00 0.00 60.65 60.71 1unr s ILE 84 Cb -0.15 -3.79 -0.01 0.00 -1.06 0.00 0.00 42.46 37.46 1unr s ILE 84 CO 0.08 0.41 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.56 1unr s GLU 85 N 0.05 1.54 -0.09 2.79 2.02 -1.26 -1.08 118.70 122.67 1unr s GLU 85 Ca 0.25 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1unr s GLU 85 Cb -0.16 -1.39 0.02 0.00 0.10 0.00 0.00 34.13 32.70 1unr s GLU 85 CO 0.12 0.26 -0.10 1.03 0.02 0.00 0.00 175.26 176.59 1unr s ARG 86 N -0.08 1.61 -0.11 1.61 1.81 -0.04 -4.98 118.95 118.77 1unr s ARG 86 Ca -0.00 -0.33 0.02 0.00 -1.72 0.00 0.00 55.73 53.70 1unr s ARG 86 Cb -0.09 -1.51 -0.01 0.00 -0.45 0.00 0.00 34.95 32.89 1unr s ARG 86 CO 0.01 -0.14 -0.17 0.99 -0.68 0.00 0.00 175.30 175.31 1unr s THR 87 N 1.24 2.66 0.05 0.02 2.01 -1.26 -0.73 115.64 119.62 1unr s THR 87 Ca -0.04 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1unr s THR 87 Cb -0.14 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1unr s THR 87 CO -0.03 0.54 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.98 1unr s PHE 88 N 0.27 0.84 0.01 4.92 0.40 0.01 -1.03 117.98 123.40 1unr s PHE 88 Ca -0.12 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1unr s PHE 88 Cb -0.16 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 1unr s PHE 88 CO 0.07 -0.03 -0.10 -1.58 0.70 0.00 0.00 175.22 174.27 1unr s HIS 89 N -1.22 0.91 0.25 0.36 5.65 0.46 -0.85 115.29 120.85 1unr s HIS 89 Ca -0.06 -0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.04 1unr s HIS 89 Cb -0.09 -0.57 -0.05 0.00 -1.18 0.00 0.00 32.58 30.69 1unr s HIS 89 CO 0.01 -0.01 0.05 0.14 -0.65 0.00 0.00 174.74 174.28 1unr s VAL 90 N -0.48 0.80 -0.41 0.89 -7.23 -1.06 -1.42 120.40 111.49 1unr s VAL 90 Ca 0.02 -2.01 0.22 0.00 -1.81 0.00 0.00 61.98 58.41 1unr s VAL 90 Cb -0.05 -2.53 0.31 0.00 0.56 0.00 0.00 36.38 34.67 1unr s VAL 90 CO 0.00 -0.14 1.58 -0.33 -0.31 0.00 0.00 175.10 175.90 1unr h GLU 91 N 2.40 0.00 -4.53 4.82 5.08 -1.92 -3.43 114.58 117.00 1unr h GLU 91 Ca -0.38 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.77 1unr h GLU 91 Cb 1.24 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 1unr h GLU 91 CO 0.63 0.03 -0.70 0.95 -1.00 0.00 0.00 179.01 178.93 1unr s THR 92 N -3.20 0.55 0.36 1.13 -4.23 -1.26 -5.01 115.64 103.98 1unr s THR 92 Ca 0.07 -1.78 0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1unr s THR 92 Cb 0.05 -1.48 0.12 0.00 1.34 0.00 0.00 72.50 72.53 1unr s THR 92 CO 0.68 -0.84 1.85 1.55 -0.54 0.00 0.00 174.62 177.32 1unr h PRO 93 N 3.23 0.00 -0.31 3.99 0.13 -1.94 -1.84 132.00 135.25 1unr h PRO 93 Ca -0.35 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1unr h PRO 93 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1unr h PRO 93 CO 0.62 0.34 0.10 0.93 -0.23 0.00 0.00 178.00 179.75 1unr h GLU 94 N 0.00 0.49 -0.32 0.86 3.07 -1.99 -1.13 114.58 115.56 1unr h GLU 94 Ca -0.00 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1unr h GLU 94 Cb 0.63 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 1unr h GLU 94 CO 0.04 0.53 0.10 0.93 -1.40 0.00 0.00 179.01 179.22 1unr h GLU 95 N 0.35 0.22 -0.57 2.33 5.08 -1.98 -1.75 114.58 118.26 1unr h GLU 95 Ca 0.10 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1unr h GLU 95 Cb 0.25 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1unr h GLU 95 CO -0.00 0.15 0.24 -0.09 -1.00 0.00 0.00 179.01 178.30 1unr h ARG 96 N 0.23 0.85 -0.64 2.33 2.43 -0.98 -2.19 114.38 116.41 1unr h ARG 96 Ca 0.14 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1unr h ARG 96 Cb 0.12 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1unr h ARG 96 CO -0.16 0.73 0.42 1.49 -1.51 0.00 0.00 179.97 180.94 1unr h GLU 97 N 0.79 0.85 -0.46 0.20 4.57 -0.90 0.53 114.58 120.15 1unr h GLU 97 Ca 0.19 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1unr h GLU 97 Cb 0.19 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1unr h GLU 97 CO -0.02 0.57 0.27 0.93 -1.18 0.00 0.00 179.01 179.58 1unr h GLU 98 N 0.87 0.52 -0.15 1.92 5.08 -0.76 -0.59 114.58 121.48 1unr h GLU 98 Ca 0.23 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1unr h GLU 98 Cb -0.09 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1unr h GLU 98 CO -0.05 0.35 -0.19 -1.49 -1.00 0.00 0.00 179.01 176.63 1unr h TRP 99 N 0.54 0.48 -0.29 4.33 4.06 -0.85 -2.22 115.95 122.01 1unr h TRP 99 Ca 0.19 -0.15 -0.12 0.00 2.06 0.00 0.00 58.89 60.86 1unr h TRP 99 Cb 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 1unr h TRP 99 CO -0.07 0.81 -0.32 1.79 -3.56 0.00 0.00 178.44 177.09 1unr h THR 100 N 0.02 1.28 -0.46 1.49 1.35 -0.83 -0.92 112.91 114.83 1unr h THR 100 Ca 0.02 -1.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 1unr h THR 100 Cb 0.75 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 1unr h THR 100 CO 0.05 0.46 0.25 0.74 -0.25 0.00 0.00 175.52 176.77 1unr h THR 101 N 0.53 1.17 -0.17 6.82 2.02 -1.14 0.28 112.91 122.41 1unr h THR 101 Ca 0.06 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1unr h THR 101 Cb 0.81 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1unr h THR 101 CO 0.07 0.18 0.09 0.00 0.37 0.00 0.00 175.52 176.22 1unr h ALA 102 N 1.10 0.21 -0.35 6.16 0.00 -1.09 -0.03 119.26 125.26 1unr h ALA 102 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1unr h ALA 102 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1unr h ALA 102 CO -0.03 -0.25 0.08 0.82 0.00 0.00 0.00 179.25 179.88 1unr h ILE 103 N 0.16 1.23 -0.80 0.00 2.04 -1.08 -2.04 117.51 117.02 1unr h ILE 103 Ca 0.06 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1unr h ILE 103 Cb 0.08 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1unr h ILE 103 CO -0.01 0.26 0.40 -0.61 0.00 0.00 0.00 178.15 178.19 1unr h GLN 104 N 0.41 1.14 -0.67 2.37 5.75 -0.80 -0.29 115.11 123.01 1unr h GLN 104 Ca 0.11 -0.16 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1unr h GLN 104 Cb 0.31 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1unr h GLN 104 CO 0.00 0.87 0.20 1.15 -2.65 0.00 0.00 178.83 178.41 1unr h THR 105 N 1.14 1.25 -0.31 2.39 2.02 -0.77 0.15 112.91 118.78 1unr h THR 105 Ca 0.28 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1unr h THR 105 Cb 0.09 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1unr h THR 105 CO -0.04 0.34 0.06 0.58 0.37 0.00 0.00 175.52 176.83 1unr h VAL 106 N 0.98 1.23 -0.94 3.16 2.07 -1.02 -1.13 116.25 120.60 1unr h VAL 106 Ca 0.22 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1unr h VAL 106 Cb 0.30 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1unr h VAL 106 CO -0.01 0.25 0.58 0.00 0.02 0.00 0.00 177.57 178.42 1unr h ALA 107 N 0.90 1.19 -0.30 1.67 0.00 -0.85 -2.05 119.26 119.82 1unr h ALA 107 Ca 0.10 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1unr h ALA 107 Cb 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1unr h ALA 107 CO 0.00 0.63 -0.28 -0.44 0.00 0.00 0.00 179.25 179.17 1unr h ASP 108 N 1.29 0.61 -0.60 0.00 3.32 -0.39 0.12 116.42 120.77 1unr h ASP 108 Ca 0.34 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1unr h ASP 108 Cb -0.08 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1unr h ASP 108 CO -0.07 0.87 0.39 1.23 -1.72 0.00 0.00 179.24 179.94 1unr h GLY 109 N 1.01 0.85 1.63 2.75 0.00 -0.88 -1.21 103.07 107.22 1unr h GLY 109 Ca 0.07 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 1unr h GLY 109 CO 0.06 0.32 -0.55 1.41 0.00 0.00 0.00 176.54 177.78 1unr h LEU 110 N 0.81 0.43 -0.71 3.11 3.38 -0.97 -2.41 115.31 118.95 1unr h LEU 110 Ca 0.22 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1unr h LEU 110 Cb -0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1unr h LEU 110 CO -0.05 0.90 0.02 0.50 0.09 0.00 0.00 178.44 179.90 1unr h LYS 111 N 0.30 1.01 -0.32 1.13 3.64 -0.44 -0.78 116.57 121.12 1unr h LYS 111 Ca 0.01 -0.30 0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1unr h LYS 111 Cb 1.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1unr h LYS 111 CO 0.09 0.98 0.20 -0.22 -2.27 0.00 0.00 179.45 178.23 1unr h LYS 112 N 0.93 0.39 -0.74 1.90 3.11 -1.09 -1.07 116.57 120.00 1unr h LYS 112 Ca 0.17 -0.02 0.05 0.00 -2.81 0.00 0.00 60.65 58.04 1unr h LYS 112 Cb 0.51 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.60 1unr h LYS 112 CO 0.02 0.26 0.45 0.37 -2.81 0.00 0.00 179.45 177.74 1unr h GLN 113 N 0.41 0.82 -0.39 1.90 4.15 -1.19 -1.40 115.11 119.41 1unr h GLN 113 Ca 0.12 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1unr h GLN 113 Cb -0.02 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1unr h GLN 113 CO -0.04 0.54 0.23 1.49 -1.93 0.00 0.00 178.83 179.12 1unr h GLU 114 N 0.84 0.53 -0.57 1.69 4.81 -0.70 -2.52 114.58 118.66 1unr h GLU 114 Ca 0.32 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1unr h GLU 114 Cb 0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1unr h GLU 114 CO -0.15 0.40 0.28 0.93 -0.73 0.00 0.00 179.01 179.74 1unr h GLU 115 N 0.50 0.80 0.00 1.92 5.08 -0.88 -0.61 114.58 121.39 1unr h GLU 115 Ca 0.14 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1unr h GLU 115 Cb 0.02 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1unr h GLU 115 CO -0.02 0.62 0.00 0.93 -1.00 0.00 0.00 179.01 179.54 1unr h GLU 116 N 0.81 0.00 0.04 2.33 5.08 -0.84 -2.63 114.58 119.36 1unr h GLU 116 Ca 0.20 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.19 1unr h GLU 116 Cb 0.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1unr h GLU 116 CO -0.03 0.00 -2.27 0.39 -1.00 0.00 0.00 179.01 176.10 1unr n GLU 117 N -3.04 0.69 0.04 2.33 1.02 -0.35 -4.66 120.64 116.67 1unr n GLU 117 Ca -0.01 0.18 -0.22 0.00 -0.02 0.00 0.00 57.16 57.09 1unr n GLU 117 Cb 0.21 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 1unr n GLU 117 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1unr h MET 118 N 0.02 0.34 -6.56 3.49 2.86 -1.19 -3.47 114.93 110.41 1unr h MET 118 Ca -0.51 -0.57 -0.53 0.00 -2.06 0.00 0.00 59.70 56.03 1unr h MET 118 Cb 1.99 0.21 0.03 0.00 0.06 0.00 0.00 31.60 33.89 1unr h MET 118 CO -0.01 1.27 0.77 -0.51 1.06 0.00 0.00 176.91 179.49 1unr s ASP 119 N -7.19 6.76 0.00 1.22 -0.00 -1.00 -5.10 116.67 111.36 1unr s ASP 119 Ca -0.19 2.41 0.00 0.00 -0.00 0.00 0.00 52.55 54.77 1unr s ASP 119 Cb 0.06 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 1unr s ASP 119 CO 0.81 -0.70 0.00 0.49 -0.00 0.00 0.00 175.17 175.77