#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 s GLN 3 N 0.00 1.13 0.04 5.31 0.74 -1.26 -4.72 119.66 120.89 1hr0 s GLN 3 Ca 0.00 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.80 1hr0 s GLN 3 Cb 0.00 0.50 -0.03 0.00 1.10 0.00 0.00 33.01 34.59 1hr0 s GLN 3 CO 0.00 -0.46 -0.06 0.71 -0.55 0.00 0.00 175.29 174.94 1hr0 s TYR 4 N -3.73 0.54 0.00 1.67 1.51 0.12 -4.95 117.35 112.51 1hr0 s TYR 4 Ca 0.02 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1hr0 s TYR 4 Cb 0.01 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.52 1hr0 s TYR 4 CO -0.12 -0.16 0.00 0.98 -1.11 0.00 0.00 175.55 175.14 1hr0 n TYR 5 N 1.21 0.00 0.00 2.71 -0.00 -1.26 0.91 117.16 120.73 1hr0 n TYR 5 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.69 1hr0 n TYR 5 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 1hr0 n TYR 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1hr0 n GLY 6 N 3.44 4.13 0.00 2.98 0.00 -1.16 -2.33 105.19 112.24 1hr0 n GLY 6 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1hr0 n GLY 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hr0 n THR 7 N -0.82 0.00 0.00 2.61 -1.04 -1.26 -2.15 114.28 111.62 1hr0 n THR 7 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1hr0 n THR 7 Cb 0.00 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1hr0 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hr0 n GLY 8 N 3.92 1.69 3.30 3.41 0.00 -1.23 -3.07 105.19 113.21 1hr0 n GLY 8 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1hr0 n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hr0 s ARG 9 N -1.22 1.43 -0.27 1.61 0.52 -1.26 -0.53 118.95 119.23 1hr0 s ARG 9 Ca 0.00 -1.10 -0.21 0.00 -0.52 0.00 0.00 55.73 53.90 1hr0 s ARG 9 Cb 0.00 -1.66 0.07 0.00 0.52 0.00 0.00 34.95 33.89 1hr0 s ARG 9 CO 0.00 0.41 0.70 0.50 0.02 0.00 0.00 175.30 176.93 1hr0 s ARG 10 N -1.51 0.78 -0.59 3.54 6.06 -0.71 -4.71 118.95 121.80 1hr0 s ARG 10 Ca 0.09 1.08 -0.05 0.00 -2.50 0.00 0.00 55.73 54.36 1hr0 s ARG 10 Cb -0.10 0.30 0.01 0.00 0.06 0.00 0.00 34.95 35.22 1hr0 s ARG 10 CO 0.03 -0.12 0.09 1.17 -2.50 0.00 0.00 175.30 173.97 1hr0 n LYS 11 N 3.34 -0.89 -2.48 5.12 4.81 -1.26 -1.43 118.16 125.37 1hr0 n LYS 11 Ca -0.16 -0.07 -0.06 0.00 -0.87 0.00 0.00 58.31 57.14 1hr0 n LYS 11 Cb 0.57 -1.14 0.03 0.00 0.02 0.00 0.00 35.03 34.51 1hr0 n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1hr0 n GLU 12 N -2.53 -1.15 -3.64 1.64 2.13 -1.26 -4.78 120.64 111.05 1hr0 n GLU 12 Ca -0.11 0.65 -0.05 0.00 0.66 0.00 0.00 57.16 58.32 1hr0 n GLU 12 Cb 0.27 -3.99 -0.07 0.00 0.27 0.00 0.00 31.44 27.93 1hr0 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hr0 s ALA 13 N -3.16 -2.14 -0.08 4.31 0.00 -0.52 -1.93 121.76 118.24 1hr0 s ALA 13 Ca 0.19 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.31 1hr0 s ALA 13 Cb -0.03 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1hr0 s ALA 13 CO 0.43 -0.32 -0.06 0.08 0.00 0.00 0.00 175.76 175.88 1hr0 s VAL 14 N 1.09 3.78 -0.05 0.00 1.01 -0.55 -1.74 120.40 123.93 1hr0 s VAL 14 Ca -0.06 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1hr0 s VAL 14 Cb -0.04 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1hr0 s VAL 14 CO -0.13 0.59 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 1hr0 s ALA 15 N -0.72 1.09 -0.33 5.51 0.00 0.31 -1.76 121.76 125.85 1hr0 s ALA 15 Ca 0.11 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1hr0 s ALA 15 Cb -0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1hr0 s ALA 15 CO 0.02 0.10 0.22 1.03 0.00 0.00 0.00 175.76 177.13 1hr0 s ARG 16 N 0.63 3.58 -0.31 0.00 0.52 -1.21 -3.48 118.95 118.68 1hr0 s ARG 16 Ca -0.12 -0.58 -0.06 0.00 -0.52 0.00 0.00 55.73 54.44 1hr0 s ARG 16 Cb -0.14 -3.76 0.02 0.00 0.52 0.00 0.00 34.95 31.58 1hr0 s ARG 16 CO 0.03 -0.39 0.08 0.08 0.02 0.00 0.00 175.30 175.12 1hr0 s VAL 17 N 1.72 3.82 -0.41 3.52 1.01 -0.91 -1.71 120.40 127.43 1hr0 s VAL 17 Ca 0.06 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1hr0 s VAL 17 Cb -0.17 -3.04 0.10 0.00 0.00 0.00 0.00 36.38 33.27 1hr0 s VAL 17 CO 0.10 -0.00 0.23 -0.36 0.00 0.00 0.00 175.10 175.07 1hr0 s PHE 18 N 1.45 3.44 0.19 5.22 2.99 -0.15 -3.01 117.98 128.11 1hr0 s PHE 18 Ca 0.01 -1.96 -0.17 0.00 0.00 0.00 0.00 56.93 54.81 1hr0 s PHE 18 Cb -0.18 -3.08 -0.08 0.00 0.00 0.00 0.00 43.02 39.68 1hr0 s PHE 18 CO 0.02 -0.92 0.64 -0.51 -0.00 0.00 0.00 175.22 174.45 1hr0 s LEU 19 N 1.29 4.34 0.01 -0.37 1.43 0.26 -0.37 118.68 125.27 1hr0 s LEU 19 Ca 0.05 1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 54.30 1hr0 s LEU 19 Cb -0.23 -3.44 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1hr0 s LEU 19 CO -0.01 0.06 0.19 -0.13 0.23 0.00 0.00 176.35 176.69 1hr0 s ARG 20 N -1.98 0.59 0.53 1.70 0.52 -0.03 0.16 118.95 120.44 1hr0 s ARG 20 Ca 0.41 -0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 55.00 1hr0 s ARG 20 Cb -0.16 0.25 -0.06 0.00 0.52 0.00 0.00 34.95 35.50 1hr0 s ARG 20 CO 0.20 -0.16 1.05 -2.14 0.02 0.00 0.00 175.30 174.27 1hr0 s PRO 21 N -1.75 3.59 0.00 3.54 0.02 -1.26 0.47 135.00 139.61 1hr0 s PRO 21 Ca -0.12 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.22 1hr0 s PRO 21 Cb -0.05 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1hr0 s PRO 21 CO 0.00 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 1hr0 n GLY 22 N -0.52 -0.33 0.00 0.52 0.00 -0.91 -4.62 105.19 99.34 1hr0 n GLY 22 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1hr0 n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hr0 n ASN 23 N 0.00 0.00 0.00 1.61 4.05 -1.20 -3.59 115.26 116.13 1hr0 n ASN 23 Ca 0.00 0.90 0.00 0.00 0.45 0.00 0.00 54.58 55.93 1hr0 n ASN 23 Cb 0.00 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 40.61 1hr0 n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1hr0 n GLY 24 N -0.91 0.00 3.88 8.20 0.00 0.28 -3.66 105.19 112.97 1hr0 n GLY 24 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1hr0 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr0 s LYS 25 N 0.00 3.78 0.02 1.61 -2.85 -1.26 -4.86 119.74 116.18 1hr0 s LYS 25 Ca 0.00 0.40 0.05 0.00 -1.00 0.00 0.00 55.97 55.42 1hr0 s LYS 25 Cb 0.00 -2.46 -0.02 0.00 -2.06 0.00 0.00 37.83 33.30 1hr0 s LYS 25 CO 0.00 0.05 -0.14 0.08 0.10 0.00 0.00 175.35 175.44 1hr0 s VAL 26 N -2.24 1.11 -0.08 1.79 1.01 -1.26 -1.96 120.40 118.77 1hr0 s VAL 26 Ca 0.50 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1hr0 s VAL 26 Cb -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1hr0 s VAL 26 CO 0.29 0.14 -0.20 -0.89 0.00 0.00 0.00 175.10 174.44 1hr0 s THR 27 N -0.61 1.72 -0.25 3.92 2.01 -1.02 -1.69 115.64 119.73 1hr0 s THR 27 Ca 0.03 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 1hr0 s THR 27 Cb -0.07 -1.50 0.07 0.00 0.01 0.00 0.00 72.50 71.01 1hr0 s THR 27 CO 0.00 0.48 0.01 -0.69 -0.69 0.00 0.00 174.62 173.74 1hr0 s VAL 28 N 0.42 1.15 -1.83 3.82 1.01 -0.24 -0.20 120.40 124.53 1hr0 s VAL 28 Ca -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1hr0 s VAL 28 Cb -0.17 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1hr0 s VAL 28 CO 0.07 -0.30 0.00 0.59 0.00 0.00 0.00 175.10 175.46 1hr0 n ASN 29 N 4.79 -5.49 0.00 3.32 4.13 -0.70 -2.90 115.26 118.40 1hr0 n ASN 29 Ca -0.08 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1hr0 n ASN 29 Cb 0.44 -4.68 0.00 0.00 -1.54 0.00 0.00 39.78 34.01 1hr0 n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hr0 n GLY 30 N -0.77 2.03 2.51 7.41 0.00 -1.26 -5.02 105.19 110.08 1hr0 n GLY 30 Ca -0.22 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1hr0 n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hr0 n GLN 31 N 0.00 0.00 -2.33 1.61 6.02 -1.14 -4.76 117.38 116.77 1hr0 n GLN 31 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1hr0 n GLN 31 Cb 0.00 -0.77 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 1hr0 n GLN 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1hr0 s ASP 32 N -0.77 5.93 0.10 1.08 -1.08 -1.26 -1.08 116.67 119.59 1hr0 s ASP 32 Ca 0.44 2.13 -0.20 0.00 -0.52 0.00 0.00 52.55 54.39 1hr0 s ASP 32 Cb -0.38 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.46 1hr0 s ASP 32 CO 0.52 -1.07 1.25 0.33 0.52 0.00 0.00 175.17 176.72 1hr0 n PHE 33 N -1.13 -0.29 -0.94 -5.34 7.35 -0.68 0.91 117.46 117.34 1hr0 n PHE 33 Ca 0.11 0.82 -0.16 0.00 -0.76 0.00 0.00 57.45 57.45 1hr0 n PHE 33 Cb 0.51 -0.54 -0.12 0.00 0.35 0.00 0.00 39.48 39.68 1hr0 n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1hr0 n ASN 34 N -4.52 5.35 0.00 -2.13 3.02 -1.26 -1.98 115.26 113.73 1hr0 n ASN 34 Ca 0.01 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 1hr0 n ASN 34 Cb 0.17 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 1hr0 n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1hr0 n GLU 35 N 2.87 0.00 0.13 3.52 4.07 0.26 -4.72 120.64 126.77 1hr0 n GLU 35 Ca 0.45 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.32 1hr0 n GLU 35 Cb 0.65 -0.20 -0.15 0.00 -0.06 0.00 0.00 31.44 31.68 1hr0 n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1hr0 h TYR 36 N 0.00 0.92 -2.09 4.31 3.20 -0.74 -3.30 116.97 119.28 1hr0 h TYR 36 Ca 0.00 -0.66 -0.78 0.00 3.14 0.00 0.00 58.73 60.42 1hr0 h TYR 36 Cb 0.00 -0.04 -0.27 0.00 1.54 0.00 0.00 36.73 37.96 1hr0 h TYR 36 CO 0.00 1.51 1.06 1.19 -1.64 0.00 0.00 178.16 180.28 1hr0 n PHE 37 N -3.80 2.89 -2.30 -3.82 0.99 -0.84 -4.98 117.46 105.60 1hr0 n PHE 37 Ca -0.16 -2.41 -0.43 0.00 -0.00 0.00 0.00 57.45 54.45 1hr0 n PHE 37 Cb 1.05 -1.20 -0.02 0.00 -1.00 0.00 0.00 39.48 38.31 1hr0 n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1hr0 s GLN 38 N -4.16 3.73 -0.70 -1.08 -0.44 -1.24 -3.73 119.66 112.03 1hr0 s GLN 38 Ca 0.47 1.24 -0.03 0.00 -2.50 0.00 0.00 55.36 54.54 1hr0 s GLN 38 Cb 0.34 -3.98 -0.04 0.00 -1.64 0.00 0.00 33.01 27.69 1hr0 s GLN 38 CO -0.31 -1.36 0.61 0.41 0.50 0.00 0.00 175.29 175.14 1hr0 n GLY 39 N 4.72 -0.41 2.53 2.59 0.00 -1.26 -5.03 105.19 108.34 1hr0 n GLY 39 Ca 0.17 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1hr0 n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hr0 s LEU 40 N -4.60 0.66 0.11 0.99 1.43 -1.24 -5.03 118.68 110.99 1hr0 s LEU 40 Ca 0.27 -2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 50.85 1hr0 s LEU 40 Cb -0.03 0.06 0.07 0.00 0.03 0.00 0.00 46.19 46.31 1hr0 s LEU 40 CO 0.48 -0.21 0.82 0.52 0.23 0.00 0.00 176.35 178.19 1hr0 n VAL 41 N 3.43 -0.31 -0.33 -1.59 0.31 -1.26 0.18 118.33 118.76 1hr0 n VAL 41 Ca 0.21 1.25 0.29 0.00 -0.01 0.00 0.00 64.34 66.07 1hr0 n VAL 41 Cb 0.46 -1.62 0.54 0.00 -0.91 0.00 0.00 33.84 32.31 1hr0 n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1hr0 h ARG 42 N 0.00 0.12 -0.78 5.55 2.47 -1.99 -3.10 114.38 116.65 1hr0 h ARG 42 Ca 0.15 -0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.97 1hr0 h ARG 42 Cb 0.28 -0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 28.46 1hr0 h ARG 42 CO -0.52 0.08 -0.35 0.00 0.56 0.00 0.00 179.97 179.75 1hr0 n ALA 43 N -2.29 -0.21 0.00 0.04 0.00 0.13 -1.36 120.51 116.82 1hr0 n ALA 43 Ca 0.35 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.54 1hr0 n ALA 43 Cb 1.16 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1hr0 n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hr0 n VAL 44 N -5.10 0.00 -0.10 0.00 0.31 -1.17 -1.62 118.33 110.65 1hr0 n VAL 44 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.24 1hr0 n VAL 44 Cb 0.28 -0.46 -0.06 0.00 -0.91 0.00 0.00 33.84 32.69 1hr0 n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hr0 n ALA 45 N -0.19 0.78 -0.59 3.52 0.00 -0.46 -4.29 120.51 119.26 1hr0 n ALA 45 Ca 0.00 -0.65 0.46 0.00 0.00 0.00 0.00 53.44 53.26 1hr0 n ALA 45 Cb 0.00 -0.13 0.74 0.00 0.00 0.00 0.00 19.45 20.05 1hr0 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hr0 n ALA 46 N -3.84 1.63 1.42 0.00 0.00 -0.64 0.26 120.51 119.33 1hr0 n ALA 46 Ca -0.25 0.72 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1hr0 n ALA 46 Cb 0.56 -1.07 0.47 0.00 0.00 0.00 0.00 19.45 19.41 1hr0 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hr0 n LEU 47 N -4.17 1.50 0.12 0.00 4.77 -1.26 -4.07 117.00 113.88 1hr0 n LEU 47 Ca 0.41 -0.49 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 1hr0 n LEU 47 Cb 1.77 -0.02 0.41 0.00 -2.33 0.00 0.00 43.42 43.25 1hr0 n LEU 47 CO 0.33 0.25 0.92 -0.08 -1.33 0.00 0.00 177.39 177.48 1hr0 h GLU 48 N 2.27 0.25 0.00 3.23 4.57 0.34 -1.47 114.58 123.76 1hr0 h GLU 48 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1hr0 h GLU 48 Cb 0.53 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1hr0 h GLU 48 CO 0.00 0.35 0.00 -1.00 -1.18 0.00 0.00 179.01 177.18 1hr0 h PRO 49 N 0.24 0.00 0.00 0.92 0.13 -1.73 -0.57 132.00 130.98 1hr0 h PRO 49 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1hr0 h PRO 49 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1hr0 h PRO 49 CO 0.02 0.00 -0.03 -0.07 -0.23 0.00 0.00 178.00 177.69 1hr0 h LEU 50 N 0.00 0.00 -0.81 1.56 3.38 -1.57 -3.22 115.31 114.65 1hr0 h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hr0 h LEU 50 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1hr0 h LEU 50 CO 0.00 0.38 0.45 0.03 0.09 0.00 0.00 178.44 179.39 1hr0 h ARG 51 N -0.73 0.00 -0.21 1.13 3.08 -1.26 0.10 114.38 116.50 1hr0 h ARG 51 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1hr0 h ARG 51 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1hr0 h ARG 51 CO 0.00 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.84 1hr0 h ALA 52 N 0.88 0.13 -0.07 0.04 0.00 -1.12 -3.13 119.26 115.98 1hr0 h ALA 52 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hr0 h ALA 52 Cb 0.91 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1hr0 h ALA 52 CO 0.00 -0.48 -0.00 1.33 0.00 0.00 0.00 179.25 180.10 1hr0 n VAL 53 N -5.21 2.01 -2.48 0.00 0.24 0.26 -4.97 118.33 108.18 1hr0 n VAL 53 Ca -0.02 -2.17 -0.01 0.00 -2.04 0.00 0.00 64.34 60.10 1hr0 n VAL 53 Cb 0.13 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 1hr0 n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1hr0 n ASP 54 N -1.18 -2.16 -2.63 -1.34 8.00 -0.88 -5.09 116.55 111.28 1hr0 n ASP 54 Ca 0.18 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1hr0 n ASP 54 Cb 0.71 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1hr0 n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hr0 n ALA 55 N -2.41 0.00 -0.50 2.24 0.00 -0.64 -4.67 120.51 114.53 1hr0 n ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hr0 n ALA 55 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1hr0 n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hr0 n LEU 56 N 0.00 0.00 -3.52 0.00 4.77 -1.26 -4.37 117.00 112.62 1hr0 n LEU 56 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1hr0 n LEU 56 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1hr0 n LEU 56 CO 0.00 0.00 2.23 0.61 -1.33 0.00 0.00 177.39 178.90 1hr0 n GLY 57 N 0.00 2.86 0.00 -0.72 0.00 -1.26 -0.56 105.19 105.52 1hr0 n GLY 57 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1hr0 n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hr0 n ARG 58 N 6.23 0.00 -1.05 1.61 0.00 -1.24 -5.07 116.66 117.14 1hr0 n ARG 58 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 1hr0 n ARG 58 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.80 1hr0 n ARG 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1hr0 n PHE 59 N 0.00 -0.96 -3.54 -0.14 3.01 0.28 -2.15 117.46 113.96 1hr0 n PHE 59 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 1hr0 n PHE 59 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1hr0 n PHE 59 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1hr0 s ASP 60 N -0.66 -0.28 -0.27 4.37 -1.08 0.18 -0.56 116.67 118.36 1hr0 s ASP 60 Ca 0.00 -0.02 -0.21 0.00 -0.52 0.00 0.00 52.55 51.81 1hr0 s ASP 60 Cb 0.00 0.31 0.07 0.00 -1.46 0.00 0.00 42.92 41.84 1hr0 s ASP 60 CO 0.00 -0.50 0.70 0.00 0.52 0.00 0.00 175.17 175.89 1hr0 s ALA 61 N -2.89 -1.81 -0.12 3.66 0.00 -0.83 -0.86 121.76 118.92 1hr0 s ALA 61 Ca 0.07 2.20 -0.08 0.00 0.00 0.00 0.00 51.96 54.15 1hr0 s ALA 61 Cb -0.01 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1hr0 s ALA 61 CO -0.07 -0.36 0.16 -0.47 0.00 0.00 0.00 175.76 175.02 1hr0 s TYR 62 N 0.97 3.58 -0.04 0.00 5.04 0.50 -2.43 117.35 124.97 1hr0 s TYR 62 Ca -0.05 0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 55.09 1hr0 s TYR 62 Cb -0.05 -2.00 0.01 0.00 0.35 0.00 0.00 41.96 40.27 1hr0 s TYR 62 CO -0.09 0.67 0.09 0.42 -1.34 0.00 0.00 175.55 175.30 1hr0 s ILE 63 N -0.83 -0.00 0.53 3.14 1.01 0.72 -0.98 121.20 124.79 1hr0 s ILE 63 Ca 0.15 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.89 1hr0 s ILE 63 Cb -0.12 -0.14 0.05 0.00 0.01 0.00 0.00 42.46 42.26 1hr0 s ILE 63 CO 0.04 0.00 0.59 -0.89 0.00 0.00 0.00 174.94 174.69 1hr0 s THR 64 N 0.10 2.16 -0.30 2.92 2.01 -0.69 -1.73 115.64 120.11 1hr0 s THR 64 Ca -0.00 -1.20 -0.18 0.00 0.31 0.00 0.00 61.69 60.62 1hr0 s THR 64 Cb -0.01 -2.35 0.18 0.00 0.01 0.00 0.00 72.50 70.33 1hr0 s THR 64 CO -0.00 0.00 1.23 -0.69 -0.69 0.00 0.00 174.62 174.47 1hr0 s VAL 65 N -2.64 -0.10 -0.09 3.82 1.01 -1.26 -3.35 120.40 117.79 1hr0 s VAL 65 Ca 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1hr0 s VAL 65 Cb -0.05 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.37 1hr0 s VAL 65 CO 0.31 0.00 0.21 -0.60 0.00 0.00 0.00 175.10 175.02 1hr0 s ARG 66 N 2.53 0.19 0.00 2.72 3.52 -0.72 -4.97 118.95 122.22 1hr0 s ARG 66 Ca -0.04 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1hr0 s ARG 66 Cb -0.05 -0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1hr0 s ARG 66 CO -0.12 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 1hr0 n GLY 67 N 3.79 2.49 7.00 8.12 0.00 -1.26 -1.49 105.19 123.85 1hr0 n GLY 67 Ca -0.21 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1hr0 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hr0 n GLY 68 N 1.59 0.86 3.25 -0.02 0.00 -0.82 -4.34 105.19 105.71 1hr0 n GLY 68 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1hr0 n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hr0 s GLY 69 N 0.00 0.15 0.38 -0.02 0.00 -1.26 -5.03 107.32 101.54 1hr0 s GLY 69 Ca 0.00 -0.63 0.23 0.00 0.00 0.00 0.00 44.72 44.32 1hr0 s GLY 69 CO 0.00 -0.77 1.58 0.50 0.00 0.00 0.00 173.10 174.41 1hr0 h LYS 70 N 2.67 0.01 -0.21 2.90 1.79 -1.98 0.26 116.57 122.01 1hr0 h LYS 70 Ca -0.33 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.11 1hr0 h LYS 70 Cb 1.21 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 1hr0 h LYS 70 CO 0.54 0.01 0.03 1.03 -1.08 0.00 0.00 179.45 179.97 1hr0 h SER 71 N 0.01 0.33 -0.63 0.86 0.87 -1.98 0.32 113.55 113.33 1hr0 h SER 71 Ca 0.85 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 61.08 1hr0 h SER 71 Cb 2.35 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 64.20 1hr0 h SER 71 CO -0.71 0.52 0.13 1.23 -0.53 0.00 0.00 176.83 177.48 1hr0 h GLY 72 N 0.14 1.12 1.38 5.77 0.00 -0.87 -1.70 103.07 108.90 1hr0 h GLY 72 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 1hr0 h GLY 72 CO 0.01 0.66 -0.18 1.46 0.00 0.00 0.00 176.54 178.48 1hr0 h GLN 73 N 0.99 0.73 -0.69 4.80 4.20 -1.05 0.30 115.11 124.38 1hr0 h GLN 73 Ca 0.20 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1hr0 h GLN 73 Cb 0.38 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1hr0 h GLN 73 CO 0.01 0.86 0.23 0.82 -0.67 0.00 0.00 178.83 180.08 1hr0 h ILE 74 N 0.65 1.24 0.02 2.54 2.04 0.15 0.17 117.51 124.32 1hr0 h ILE 74 Ca 0.10 -0.82 -0.23 0.00 1.00 0.00 0.00 64.86 64.91 1hr0 h ILE 74 Cb 0.67 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1hr0 h ILE 74 CO 0.05 0.32 -0.98 0.44 0.00 0.00 0.00 178.15 177.98 1hr0 h ASP 75 N 1.00 0.47 -0.22 1.72 3.32 -0.95 -2.00 116.42 119.77 1hr0 h ASP 75 Ca 0.23 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1hr0 h ASP 75 Cb 0.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1hr0 h ASP 75 CO -0.01 1.21 0.06 0.00 -1.72 0.00 0.00 179.24 178.78 1hr0 h ALA 76 N 0.75 0.29 -0.93 3.45 0.00 -0.09 -1.84 119.26 120.89 1hr0 h ALA 76 Ca -0.08 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1hr0 h ALA 76 Cb 1.63 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1hr0 h ALA 76 CO 0.17 -0.07 0.61 0.82 0.00 0.00 0.00 179.25 180.77 1hr0 h ILE 77 N 0.18 1.20 -0.02 0.00 2.04 -0.69 0.14 117.51 120.36 1hr0 h ILE 77 Ca 0.07 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1hr0 h ILE 77 Cb 0.26 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1hr0 h ILE 77 CO -0.00 0.22 -0.04 0.50 0.00 0.00 0.00 178.15 178.84 1hr0 h LYS 78 N 1.22 0.02 0.00 2.37 3.11 -0.97 -0.92 116.57 121.40 1hr0 h LYS 78 Ca 0.36 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1hr0 h LYS 78 Cb -0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1hr0 h LYS 78 CO -0.10 0.06 -0.00 1.25 -2.81 0.00 0.00 179.45 177.85 1hr0 h LEU 79 N 0.02 -0.00 -0.45 5.20 7.12 -0.20 -2.65 115.31 124.34 1hr0 h LEU 79 Ca 0.01 -0.90 0.09 0.00 0.13 0.00 0.00 57.88 57.21 1hr0 h LEU 79 Cb 0.08 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.11 1hr0 h LEU 79 CO 0.00 0.92 -0.24 1.23 -0.13 0.00 0.00 178.44 180.22 1hr0 h GLY 80 N -0.95 0.03 1.41 3.75 0.00 -0.37 0.17 103.07 107.10 1hr0 h GLY 80 Ca -0.00 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1hr0 h GLY 80 CO 0.00 -0.21 0.35 -2.22 0.00 0.00 0.00 176.54 174.46 1hr0 h ILE 81 N -0.15 1.17 0.52 2.60 2.04 -1.30 0.22 117.51 122.61 1hr0 h ILE 81 Ca 0.21 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1hr0 h ILE 81 Cb 0.48 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1hr0 h ILE 81 CO -0.54 0.17 -0.25 0.00 0.00 0.00 0.00 178.15 177.53 1hr0 h ALA 82 N 1.59 -0.70 0.28 1.87 0.00 -0.43 -2.52 119.26 119.34 1hr0 h ALA 82 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hr0 h ALA 82 Cb -0.03 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1hr0 h ALA 82 CO -0.04 -0.89 -0.35 0.00 0.00 0.00 0.00 179.25 177.97 1hr0 h ARG 83 N -0.71 -0.65 -0.42 0.00 3.08 -0.15 -3.18 114.38 112.35 1hr0 h ARG 83 Ca -0.07 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1hr0 h ARG 83 Cb 0.54 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.69 1hr0 h ARG 83 CO 0.12 -0.44 -0.30 0.00 -1.07 0.00 0.00 179.97 178.28 1hr0 h ALA 84 N -0.16 -0.37 -0.50 0.04 0.00 -0.17 0.37 119.26 118.46 1hr0 h ALA 84 Ca -0.01 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1hr0 h ALA 84 Cb 0.64 1.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1hr0 h ALA 84 CO -0.11 -0.56 0.92 -0.07 0.00 0.00 0.00 179.25 179.43 1hr0 h LEU 85 N -0.07 0.00 0.03 0.00 4.07 -1.43 0.48 115.31 118.39 1hr0 h LEU 85 Ca 0.07 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.78 1hr0 h LEU 85 Cb 0.24 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1hr0 h LEU 85 CO -0.43 0.00 -1.24 0.58 -1.08 0.00 0.00 178.44 176.27 1hr0 h VAL 86 N 0.00 1.45 0.31 1.22 2.07 -0.28 -2.05 116.25 118.96 1hr0 h VAL 86 Ca 0.24 -3.16 -0.01 0.00 0.82 0.00 0.00 66.70 64.58 1hr0 h VAL 86 Cb 2.07 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 34.61 1hr0 h VAL 86 CO -0.00 0.85 -0.15 1.56 0.02 0.00 0.00 177.57 179.85 1hr0 h GLN 87 N 0.02 -0.40 -0.82 1.57 4.20 0.14 0.26 115.11 120.08 1hr0 h GLN 87 Ca -0.11 0.03 0.19 0.00 0.06 0.00 0.00 58.65 58.82 1hr0 h GLN 87 Cb 1.87 0.09 -0.15 0.00 0.30 0.00 0.00 27.48 29.59 1hr0 h GLN 87 CO 0.13 -0.07 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.26 1hr0 h TYR 88 N -0.94 -0.14 -2.53 2.96 3.20 -1.54 -3.32 116.97 114.65 1hr0 h TYR 88 Ca -0.04 0.06 -0.45 0.00 3.14 0.00 0.00 58.73 61.44 1hr0 h TYR 88 Cb 0.51 0.19 -0.37 0.00 1.54 0.00 0.00 36.73 38.60 1hr0 h TYR 88 CO 0.04 -0.31 -0.72 1.21 -1.64 0.00 0.00 178.16 176.74 1hr0 s ASN 89 N -5.17 2.80 0.50 -2.11 3.84 -0.77 -5.00 114.94 109.02 1hr0 s ASN 89 Ca -0.14 -1.09 0.33 0.00 0.21 0.00 0.00 52.86 52.18 1hr0 s ASN 89 Cb 0.24 -0.01 1.81 0.00 -0.55 0.00 0.00 41.25 42.74 1hr0 s ASN 89 CO 0.76 -0.42 2.02 1.55 -2.79 0.00 0.00 177.10 178.22 1hr0 h PRO 90 N 8.34 0.00 0.00 0.43 0.13 -0.58 -2.24 132.00 138.08 1hr0 h PRO 90 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1hr0 h PRO 90 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1hr0 h PRO 90 CO 0.40 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.92 1hr0 n ASP 91 N -2.67 0.50 -0.01 1.44 9.92 -1.26 -3.39 116.55 121.08 1hr0 n ASP 91 Ca -0.02 0.62 -0.03 0.00 -0.53 0.00 0.00 54.79 54.83 1hr0 n ASP 91 Cb 0.06 -0.73 0.22 0.00 -0.64 0.00 0.00 41.12 40.03 1hr0 n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1hr0 h TYR 92 N 0.00 0.58 -0.99 1.24 0.99 -1.68 -2.96 116.97 114.15 1hr0 h TYR 92 Ca 0.00 -0.10 0.33 0.00 2.00 0.00 0.00 58.73 60.96 1hr0 h TYR 92 Cb 0.36 -0.15 -0.16 0.00 1.00 0.00 0.00 36.73 37.78 1hr0 h TYR 92 CO 0.00 0.67 0.51 0.00 -0.00 0.00 0.00 178.16 179.33 1hr0 h ARG 93 N 0.49 0.22 -0.98 4.88 3.08 -1.80 1.05 114.38 121.33 1hr0 h ARG 93 Ca 0.08 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.33 1hr0 h ARG 93 Cb 0.56 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.47 1hr0 h ARG 93 CO 0.04 0.14 0.62 0.00 -1.07 0.00 0.00 179.97 179.70 1hr0 h ALA 94 N 1.88 2.01 0.00 0.04 0.00 -1.78 0.16 119.26 121.57 1hr0 h ALA 94 Ca 0.74 0.05 -0.30 0.00 0.00 0.00 0.00 54.91 55.40 1hr0 h ALA 94 Cb 1.73 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1hr0 h ALA 94 CO -0.66 -0.35 -2.15 1.17 0.00 0.00 0.00 179.25 177.25 1hr0 n LYS 95 N -4.64 0.59 0.28 0.00 0.00 0.29 -4.34 118.16 110.34 1hr0 n LYS 95 Ca 0.22 0.11 0.16 0.00 0.00 0.00 0.00 58.31 58.80 1hr0 n LYS 95 Cb 0.69 -1.41 0.81 0.00 0.00 0.00 0.00 35.03 35.13 1hr0 n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1hr0 h LEU 96 N 0.00 0.00 0.00 3.14 5.85 0.69 -3.17 115.31 121.82 1hr0 h LEU 96 Ca -0.45 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 57.98 1hr0 h LEU 96 Cb 1.73 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.71 1hr0 h LEU 96 CO -0.06 0.06 -1.66 0.11 -0.34 0.00 0.00 178.44 176.55 1hr0 h LYS 97 N 0.00 0.01 0.00 1.25 1.57 -0.86 -2.33 116.57 116.21 1hr0 h LYS 97 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1hr0 h LYS 97 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1hr0 h LYS 97 CO 0.01 0.56 0.00 -1.35 -0.57 0.00 0.00 179.45 178.09 1hr0 h PRO 98 N 0.00 0.00 -0.01 3.15 0.11 -1.74 1.94 132.00 135.45 1hr0 h PRO 98 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1hr0 h PRO 98 Cb 2.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.11 1hr0 h PRO 98 CO 0.08 0.00 -0.02 1.28 -0.21 0.00 0.00 178.00 179.13 1hr0 n LEU 99 N -2.55 1.45 -3.43 2.35 7.99 -1.25 -5.04 117.00 116.51 1hr0 n LEU 99 Ca -0.02 -0.96 -0.17 0.00 -0.01 0.00 0.00 56.01 54.85 1hr0 n LEU 99 Cb 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1hr0 n LEU 99 CO 0.14 0.30 -0.12 0.61 -1.51 0.00 0.00 177.39 176.81 1hr0 n GLY 100 N 0.43 -0.60 0.00 -0.72 0.00 0.66 -4.81 105.19 100.15 1hr0 n GLY 100 Ca 0.04 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.46 1hr0 n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hr0 n PHE 101 N -2.11 0.00 0.66 1.61 3.01 -0.94 -2.59 117.46 117.10 1hr0 n PHE 101 Ca -0.13 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.45 1hr0 n PHE 101 Cb 0.34 -0.41 0.46 0.00 -0.01 0.00 0.00 39.48 39.86 1hr0 n PHE 101 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1hr0 n LEU 102 N -1.41 0.56 -4.76 4.37 4.77 -1.26 -4.55 117.00 114.72 1hr0 n LEU 102 Ca 0.09 0.57 -0.37 0.00 -0.03 0.00 0.00 56.01 56.27 1hr0 n LEU 102 Cb 0.28 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1hr0 n LEU 102 CO 0.24 -0.21 0.86 -0.89 -1.33 0.00 0.00 177.39 176.06 1hr0 s THR 103 N -3.11 2.78 -0.85 -5.08 2.01 -1.07 -4.97 115.64 105.36 1hr0 s THR 103 Ca 0.10 0.56 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 1hr0 s THR 103 Cb 0.13 -3.27 0.21 0.00 0.01 0.00 0.00 72.50 69.58 1hr0 s THR 103 CO 0.53 -0.03 0.72 -0.60 -0.69 0.00 0.00 174.62 174.55 1hr0 s ARG 104 N -2.90 3.17 -0.91 4.92 3.00 -1.26 -4.97 118.95 119.99 1hr0 s ARG 104 Ca 0.69 -3.14 -0.31 0.00 -1.00 0.00 0.00 55.73 51.97 1hr0 s ARG 104 Cb -0.31 -3.93 -0.21 0.00 0.00 0.00 0.00 34.95 30.50 1hr0 s ARG 104 CO 0.37 -1.25 2.52 -3.47 0.00 0.00 0.00 175.30 173.47 1hr0 n ASP 105 N 2.56 0.31 0.00 -2.12 -0.08 -1.26 -4.77 116.55 111.19 1hr0 n ASP 105 Ca 0.19 0.21 0.07 0.00 -1.51 0.00 0.00 54.79 53.76 1hr0 n ASP 105 Cb 0.37 -0.87 0.40 0.00 2.34 0.00 0.00 41.12 43.37 1hr0 n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hr0 n ALA 106 N 9.72 1.94 -1.69 -1.67 0.00 -1.26 -4.41 120.51 123.15 1hr0 n ALA 106 Ca 0.62 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 1hr0 n ALA 106 Cb 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1hr0 n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hr0 s ARG 107 N -2.26 4.13 0.05 0.00 0.52 -1.26 -4.98 118.95 115.15 1hr0 s ARG 107 Ca 0.18 2.62 -0.07 0.00 -0.52 0.00 0.00 55.73 57.95 1hr0 s ARG 107 Cb 0.10 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 1hr0 s ARG 107 CO 0.19 -0.85 0.13 0.08 0.02 0.00 0.00 175.30 174.88 1hr0 s VAL 108 N 2.66 0.14 -0.11 3.52 1.01 -1.26 -4.26 120.40 122.10 1hr0 s VAL 108 Ca 0.81 -1.12 -0.38 0.00 0.00 0.00 0.00 61.98 61.29 1hr0 s VAL 108 Cb -0.47 -1.06 -0.15 0.00 0.00 0.00 0.00 36.38 34.70 1hr0 s VAL 108 CO 0.36 -0.62 1.62 0.52 0.00 0.00 0.00 175.10 176.98 1hr0 n VAL 109 N 0.50 0.22 -2.62 2.92 0.31 -1.26 -4.91 118.33 113.48 1hr0 n VAL 109 Ca -0.18 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 1hr0 n VAL 109 Cb 0.60 -1.19 -0.05 0.00 -0.91 0.00 0.00 33.84 32.29 1hr0 n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1hr0 s GLU 110 N 2.42 4.71 0.61 5.55 2.12 -1.26 -5.00 118.70 127.85 1hr0 s GLU 110 Ca 0.92 1.62 -0.19 0.00 0.36 0.00 0.00 54.97 57.68 1hr0 s GLU 110 Cb -0.96 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 30.22 1hr0 s GLU 110 CO 0.56 0.34 1.17 -2.13 -0.54 0.00 0.00 175.26 174.66 1hr0 n ARG 111 N 1.22 1.14 -2.96 4.30 0.00 -1.26 -4.93 116.66 114.17 1hr0 n ARG 111 Ca -0.01 0.44 -0.44 0.00 -0.00 0.00 0.00 57.85 57.84 1hr0 n ARG 111 Cb 0.46 -2.39 -0.03 0.00 0.00 0.00 0.00 32.46 30.50 1hr0 n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1hr0 s LYS 112 N -3.02 3.45 0.79 -0.14 2.36 -1.26 -4.30 119.74 117.61 1hr0 s LYS 112 Ca 0.78 -1.58 -0.11 0.00 -2.55 0.00 0.00 55.97 52.51 1hr0 s LYS 112 Cb -0.40 -4.69 0.07 0.00 -1.05 0.00 0.00 37.83 31.75 1hr0 s LYS 112 CO 0.45 -1.73 1.11 0.15 1.55 0.00 0.00 175.35 176.88 1hr0 s LYS 113 N 2.80 2.05 0.59 4.03 3.01 -1.26 -4.70 119.74 126.26 1hr0 s LYS 113 Ca 0.28 1.31 -0.06 0.00 -1.01 0.00 0.00 55.97 56.49 1hr0 s LYS 113 Cb -0.09 -1.86 0.01 0.00 -1.01 0.00 0.00 37.83 34.87 1hr0 s LYS 113 CO -0.04 -1.82 0.91 1.52 0.51 0.00 0.00 175.35 176.43 1hr0 s TYR 114 N -2.72 3.27 0.00 3.18 -0.85 -1.26 -3.74 117.35 115.23 1hr0 s TYR 114 Ca 0.64 0.68 0.00 0.00 -0.52 0.00 0.00 57.07 57.87 1hr0 s TYR 114 Cb -0.19 -2.74 0.00 0.00 0.38 0.00 0.00 41.96 39.40 1hr0 s TYR 114 CO 0.54 -0.82 0.00 0.41 -1.52 0.00 0.00 175.55 174.16 1hr0 n GLY 115 N -2.60 2.29 3.92 5.49 0.00 -1.26 -4.97 105.19 108.06 1hr0 n GLY 115 Ca 0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1hr0 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hr0 s LYS 116 N 0.00 3.24 0.28 1.61 -0.14 -1.25 -4.47 119.74 119.02 1hr0 s LYS 116 Ca 0.00 -0.88 0.15 0.00 -1.36 0.00 0.00 55.97 53.88 1hr0 s LYS 116 Cb 0.00 -2.77 0.07 0.00 -1.68 0.00 0.00 37.83 33.44 1hr0 s LYS 116 CO 0.00 0.40 1.44 0.45 -0.76 0.00 0.00 175.35 176.87 1hr0 h HIS 117 N 1.26 0.00 -0.29 3.18 3.86 -0.65 -3.41 115.15 119.11 1hr0 h HIS 117 Ca -0.50 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.44 1hr0 h HIS 117 Cb 1.23 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.50 1hr0 h HIS 117 CO 0.49 0.49 -0.55 1.63 0.86 0.00 0.00 177.93 180.85 1hr0 n LYS 118 N -3.22 1.11 0.00 2.45 5.02 -1.13 -4.98 118.16 117.42 1hr0 n LYS 118 Ca 0.02 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1hr0 n LYS 118 Cb 0.73 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1hr0 n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hr0 n ALA 119 N -0.13 0.00 0.08 7.82 0.00 -1.26 -3.97 120.51 123.06 1hr0 n ALA 119 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1hr0 n ALA 119 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1hr0 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hr0 n ARG 120 N 0.00 0.00 -1.19 0.00 1.74 -1.26 -4.53 116.66 111.43 1hr0 n ARG 120 Ca 0.00 0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.60 1hr0 n ARG 120 Cb 0.00 -0.33 -0.12 0.00 -1.02 0.00 0.00 32.46 30.99 1hr0 n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1hr0 n ARG 121 N -3.50 0.00 -3.48 5.56 0.00 -1.25 -4.70 116.66 109.29 1hr0 n ARG 121 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1hr0 n ARG 121 Cb 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 32.46 31.07 1hr0 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hr0 s ALA 122 N 6.23 3.67 0.77 5.13 0.00 -1.26 0.07 121.76 136.36 1hr0 s ALA 122 Ca 1.11 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1hr0 s ALA 122 Cb -1.26 -2.39 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1hr0 s ALA 122 CO 0.54 0.50 1.09 -0.35 0.00 0.00 0.00 175.76 177.54 1hr0 n PRO 123 N 1.24 0.38 -4.00 0.00 -0.04 -1.26 -4.85 135.00 126.47 1hr0 n PRO 123 Ca -0.10 0.20 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1hr0 n PRO 123 Cb 0.52 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1hr0 n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1hr0 s GLN 124 N -3.72 2.84 0.32 0.54 -2.07 -1.26 -5.07 119.66 111.24 1hr0 s GLN 124 Ca 0.74 -1.15 0.09 0.00 -1.82 0.00 0.00 55.36 53.22 1hr0 s GLN 124 Cb -0.32 -2.53 -0.06 0.00 -1.09 0.00 0.00 33.01 29.02 1hr0 s GLN 124 CO 0.50 0.28 -0.11 1.52 -1.32 0.00 0.00 175.29 176.17 1hr0 s TYR 125 N -2.20 2.28 0.00 9.60 -0.85 -1.26 -5.13 117.35 119.79 1hr0 s TYR 125 Ca 0.36 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1hr0 s TYR 125 Cb -0.07 -1.26 0.00 0.00 0.38 0.00 0.00 41.96 41.01 1hr0 s TYR 125 CO 0.26 0.54 0.00 -1.13 -1.52 0.00 0.00 175.55 173.70 1hr0 n SER 126 N -0.72 0.00 -4.01 -0.18 3.41 -1.26 -4.82 113.62 106.04 1hr0 n SER 126 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.13 1hr0 n SER 126 Cb 0.63 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 1hr0 n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hr0 n LYS 127 N 0.00 4.44 0.00 4.33 4.01 -1.26 -5.37 118.16 124.31 1hr0 n LYS 127 Ca 0.00 -4.54 0.06 0.00 -0.51 0.00 0.00 58.31 53.33 1hr0 n LYS 127 Cb 0.00 -2.52 0.37 0.00 -0.51 0.00 0.00 35.03 32.37 1hr0 n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16