#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 n ARG 12 N 0.00 0.00 -2.13 1.97 0.63 -1.26 -5.05 116.66 110.81 1hr0 n ARG 12 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1hr0 n ARG 12 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1hr0 n ARG 12 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1hr0 n GLN 13 N 0.00 -1.69 -0.14 -0.14 1.13 -1.19 -5.05 117.38 110.31 1hr0 n GLN 13 Ca 0.00 1.62 -0.27 0.00 -1.94 0.00 0.00 57.00 56.41 1hr0 n GLN 13 Cb 0.00 -3.33 -0.10 0.00 0.11 0.00 0.00 30.24 26.92 1hr0 n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1hr0 n VAL 14 N 0.22 1.49 0.00 5.09 0.31 -0.35 -5.01 118.33 120.08 1hr0 n VAL 14 Ca 0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1hr0 n VAL 14 Cb 0.04 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1hr0 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hr0 n ALA 15 N -4.02 0.00 -3.01 3.52 0.00 -1.20 -4.82 120.51 110.97 1hr0 n ALA 15 Ca -0.52 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.61 1hr0 n ALA 15 Cb 0.90 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.19 1hr0 n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hr0 s SER 16 N 0.00 2.89 0.00 0.00 1.04 -1.26 0.20 113.70 116.58 1hr0 s SER 16 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1hr0 s SER 16 Cb 0.00 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1hr0 s SER 16 CO 0.00 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1hr0 n GLY 17 N 3.28 2.82 3.58 7.32 0.00 -0.15 -3.50 105.19 118.53 1hr0 n GLY 17 Ca -0.19 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 1hr0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hr0 s ARG 18 N 1.13 2.08 -0.27 1.61 3.00 0.12 -0.13 118.95 126.50 1hr0 s ARG 18 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 55.73 54.33 1hr0 s ARG 18 Cb 0.00 -2.09 0.07 0.00 0.00 0.00 0.00 34.95 32.93 1hr0 s ARG 18 CO 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 175.30 175.67 1hr0 s ALA 19 N -2.08 2.17 -0.46 2.13 0.00 0.34 0.76 121.76 124.62 1hr0 s ALA 19 Ca 0.28 -1.69 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 1hr0 s ALA 19 Cb -0.07 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.50 1hr0 s ALA 19 CO 0.17 -1.36 0.64 0.71 0.00 0.00 0.00 175.76 175.92 1hr0 s TYR 20 N 1.29 3.05 -0.26 0.00 1.51 -0.26 -0.49 117.35 122.18 1hr0 s TYR 20 Ca -0.01 -0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 55.72 1hr0 s TYR 20 Cb -0.19 -3.40 -0.05 0.00 -0.11 0.00 0.00 41.96 38.22 1hr0 s TYR 20 CO -0.09 -0.92 0.25 0.42 -1.11 0.00 0.00 175.55 174.09 1hr0 s ILE 21 N 2.78 5.28 -0.61 2.71 1.01 0.01 -1.17 121.20 131.19 1hr0 s ILE 21 Ca 0.20 0.32 -0.00 0.00 0.00 0.00 0.00 60.65 61.17 1hr0 s ILE 21 Cb -0.16 -3.58 0.16 0.00 0.01 0.00 0.00 42.46 38.89 1hr0 s ILE 21 CO 0.17 0.25 0.41 -2.28 0.00 0.00 0.00 174.94 173.48 1hr0 s HIS 22 N 1.65 3.36 0.36 3.97 5.65 -0.64 -0.99 115.29 128.66 1hr0 s HIS 22 Ca 0.10 -2.91 -0.07 0.00 0.25 0.00 0.00 55.06 52.44 1hr0 s HIS 22 Cb -0.15 -3.06 -0.05 0.00 -1.18 0.00 0.00 32.58 28.13 1hr0 s HIS 22 CO 0.09 -0.79 0.67 0.00 -0.65 0.00 0.00 174.74 174.06 1hr0 s ALA 23 N -0.28 3.49 0.06 1.58 0.00 -0.58 -2.47 121.76 123.57 1hr0 s ALA 23 Ca 0.18 -0.44 -0.27 0.00 0.00 0.00 0.00 51.96 51.43 1hr0 s ALA 23 Cb -0.21 -2.48 0.09 0.00 0.00 0.00 0.00 23.12 20.52 1hr0 s ALA 23 CO -0.03 0.05 0.81 -1.54 0.00 0.00 0.00 175.76 175.05 1hr0 s SER 24 N -3.35 -0.40 0.00 0.00 1.04 -1.08 -3.73 113.70 106.18 1hr0 s SER 24 Ca 0.47 -0.05 0.12 0.00 0.48 0.00 0.00 55.95 56.97 1hr0 s SER 24 Cb -0.10 0.46 0.61 0.00 0.10 0.00 0.00 66.02 67.09 1hr0 s SER 24 CO 0.33 -0.76 1.30 -1.22 0.98 0.00 0.00 173.24 173.86 1hr0 n TYR 25 N -0.31 0.00 0.40 5.02 4.02 -1.24 -2.94 117.16 122.11 1hr0 n TYR 25 Ca -0.11 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.85 1hr0 n TYR 25 Cb 0.62 -0.29 -0.08 0.00 -0.02 0.00 0.00 39.34 39.57 1hr0 n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1hr0 n ASN 26 N -1.29 1.08 0.00 7.72 3.02 -1.26 -4.71 115.26 119.82 1hr0 n ASN 26 Ca 0.06 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1hr0 n ASN 26 Cb 0.10 1.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 1hr0 n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1hr0 n ASN 27 N -1.54 0.00 -4.53 6.41 5.15 -1.15 -3.26 115.26 116.33 1hr0 n ASN 27 Ca 0.01 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 1hr0 n ASN 27 Cb 0.25 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.41 1hr0 n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1hr0 s THR 28 N -2.00 2.95 -0.24 -0.44 2.01 -1.26 -2.62 115.64 114.04 1hr0 s THR 28 Ca 0.00 -1.82 -0.07 0.00 0.31 0.00 0.00 61.69 60.11 1hr0 s THR 28 Cb 0.00 -2.47 0.11 0.00 0.01 0.00 0.00 72.50 70.16 1hr0 s THR 28 CO 0.00 -0.15 0.51 -0.51 -0.69 0.00 0.00 174.62 173.78 1hr0 s ILE 29 N -1.79 -0.80 0.07 1.82 2.07 -1.03 -2.74 121.20 118.80 1hr0 s ILE 29 Ca 0.25 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.57 1hr0 s ILE 29 Cb -0.08 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 1hr0 s ILE 29 CO 0.14 0.03 0.21 -0.69 -1.91 0.00 0.00 174.94 172.72 1hr0 s VAL 30 N 2.73 5.38 -0.21 4.00 1.01 -0.85 -1.62 120.40 130.83 1hr0 s VAL 30 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1hr0 s VAL 30 Cb -0.12 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.72 1hr0 s VAL 30 CO -0.16 0.13 0.20 -0.89 0.00 0.00 0.00 175.10 174.38 1hr0 s THR 31 N -1.52 -0.27 0.21 3.92 2.01 -0.32 -0.73 115.64 118.95 1hr0 s THR 31 Ca 0.35 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.87 1hr0 s THR 31 Cb -0.13 -0.71 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 1hr0 s THR 31 CO 0.28 -0.29 0.85 -0.63 -0.69 0.00 0.00 174.62 174.15 1hr0 s ILE 32 N 2.28 4.25 0.09 1.82 -1.09 0.08 -1.10 121.20 127.53 1hr0 s ILE 32 Ca 0.06 1.84 0.01 0.00 -2.23 0.00 0.00 60.65 60.33 1hr0 s ILE 32 Cb -0.16 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1hr0 s ILE 32 CO -0.15 0.45 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.06 1hr0 s THR 33 N -1.24 0.63 0.90 2.92 2.01 0.23 -0.17 115.64 120.92 1hr0 s THR 33 Ca 0.40 -1.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.42 1hr0 s THR 33 Cb -0.23 -1.59 0.13 0.00 0.01 0.00 0.00 72.50 70.82 1hr0 s THR 33 CO 0.28 -0.85 1.11 1.51 -0.69 0.00 0.00 174.62 175.97 1hr0 s ASP 34 N -2.92 3.58 0.15 3.53 1.47 -0.47 0.15 116.67 122.15 1hr0 s ASP 34 Ca 0.10 1.21 0.01 0.00 1.18 0.00 0.00 52.55 55.05 1hr0 s ASP 34 Cb 0.04 -1.88 0.05 0.00 -0.34 0.00 0.00 42.92 40.79 1hr0 s ASP 34 CO -0.05 -2.54 0.67 -2.65 0.68 0.00 0.00 175.17 171.28 1hr0 n PRO 35 N -3.79 0.01 -2.79 2.11 -0.02 -1.23 -1.92 135.00 127.38 1hr0 n PRO 35 Ca 0.06 0.24 -0.02 0.00 -2.02 0.00 0.00 63.50 61.77 1hr0 n PRO 35 Cb 0.57 -2.09 0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1hr0 n PRO 35 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1hr0 n ASP 36 N -1.37 1.00 0.00 2.55 3.85 -1.26 -4.97 116.55 116.34 1hr0 n ASP 36 Ca -0.00 -2.16 0.00 0.00 -0.71 0.00 0.00 54.79 51.92 1hr0 n ASP 36 Cb 0.56 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 1hr0 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hr0 n GLY 37 N -0.66 2.99 3.68 6.12 0.00 -0.81 -5.06 105.19 111.46 1hr0 n GLY 37 Ca 0.03 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1hr0 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hr0 s ASN 38 N 0.22 6.71 0.44 1.61 -0.87 -1.26 -4.70 114.94 117.08 1hr0 s ASN 38 Ca 0.00 2.28 -0.25 0.00 -1.57 0.00 0.00 52.86 53.32 1hr0 s ASN 38 Cb 0.00 -2.55 -0.08 0.00 -0.02 0.00 0.00 41.25 38.59 1hr0 s ASN 38 CO 0.00 -0.84 1.41 -2.16 -2.57 0.00 0.00 177.10 172.94 1hr0 s PRO 39 N 2.94 3.75 -0.22 -0.60 0.04 -1.26 -1.37 135.00 138.27 1hr0 s PRO 39 Ca 0.70 2.38 -0.05 0.00 0.04 0.00 0.00 61.00 64.08 1hr0 s PRO 39 Cb -0.35 -2.68 -0.12 0.00 0.04 0.00 0.00 34.50 31.39 1hr0 s PRO 39 CO 0.29 -0.76 -0.24 -0.89 0.04 0.00 0.00 177.00 175.45 1hr0 n ILE 40 N -0.12 1.24 -3.67 0.56 5.41 0.76 -4.84 119.36 118.70 1hr0 n ILE 40 Ca 0.05 -0.40 -0.10 0.00 1.00 0.00 0.00 62.75 63.30 1hr0 n ILE 40 Cb 0.42 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 1hr0 n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1hr0 s THR 41 N -2.42 0.03 0.28 1.39 -4.23 -1.17 -5.02 115.64 104.49 1hr0 s THR 41 Ca -0.30 -0.62 -0.09 0.00 -1.18 0.00 0.00 61.69 59.49 1hr0 s THR 41 Cb 0.10 -1.44 -0.00 0.00 1.34 0.00 0.00 72.50 72.49 1hr0 s THR 41 CO 0.45 -0.11 0.47 -1.66 -0.54 0.00 0.00 174.62 173.23 1hr0 s TRP 42 N -3.84 0.60 0.36 3.99 1.48 -1.26 -0.74 118.94 119.53 1hr0 s TRP 42 Ca 0.07 -0.94 -0.17 0.00 -1.06 0.00 0.00 56.10 54.00 1hr0 s TRP 42 Cb -0.01 0.10 0.05 0.00 -1.16 0.00 0.00 33.47 32.45 1hr0 s TRP 42 CO -0.05 -1.04 0.77 0.45 -4.06 0.00 0.00 176.95 173.02 1hr0 s SER 43 N -3.09 -0.05 -0.00 -2.66 0.15 0.09 -4.74 113.70 103.40 1hr0 s SER 43 Ca 0.26 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.57 1hr0 s SER 43 Cb -0.00 0.83 0.11 0.00 -1.71 0.00 0.00 66.02 65.24 1hr0 s SER 43 CO 0.13 -1.62 1.13 -0.94 1.20 0.00 0.00 173.24 173.13 1hr0 s SER 44 N -3.04 -0.15 0.36 5.45 1.04 -1.26 -2.00 113.70 114.10 1hr0 s SER 44 Ca 0.15 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.48 1hr0 s SER 44 Cb -0.05 0.28 0.77 0.00 0.10 0.00 0.00 66.02 67.12 1hr0 s SER 44 CO 0.11 -0.50 1.92 1.23 0.98 0.00 0.00 173.24 176.98 1hr0 h GLY 45 N 2.00 1.05 0.66 7.32 0.00 -1.71 -0.15 103.07 112.23 1hr0 h GLY 45 Ca -0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1hr0 h GLY 45 CO 0.27 0.18 -0.01 -1.33 0.00 0.00 0.00 176.54 175.64 1hr0 h GLY 46 N 0.73 0.08 -1.31 4.60 0.00 -1.74 -2.99 103.07 102.45 1hr0 h GLY 46 Ca 0.37 -0.07 0.47 0.00 0.00 0.00 0.00 47.33 48.10 1hr0 h GLY 46 CO -0.14 0.06 0.83 -2.08 0.00 0.00 0.00 176.54 175.21 1hr0 h VAL 47 N -0.28 0.01 -2.85 4.60 2.07 -1.35 -2.49 116.25 115.96 1hr0 h VAL 47 Ca 0.01 -0.00 -0.71 0.00 0.82 0.00 0.00 66.70 66.81 1hr0 h VAL 47 Cb 0.40 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 29.82 1hr0 h VAL 47 CO 0.00 0.00 0.08 -0.38 0.02 0.00 0.00 177.57 177.30 1hr0 n ILE 48 N -4.82 3.69 -0.91 4.57 5.41 -1.05 -4.95 119.36 121.29 1hr0 n ILE 48 Ca 0.40 -5.44 0.00 0.00 1.00 0.00 0.00 62.75 58.71 1hr0 n ILE 48 Cb 1.52 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 1hr0 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hr0 n GLY 49 N 1.54 3.04 2.47 7.39 0.00 -0.94 -4.93 105.19 113.75 1hr0 n GLY 49 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1hr0 n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hr0 n TYR 50 N 13.71 0.00 -0.07 1.61 0.53 -1.26 -4.25 117.16 127.44 1hr0 n TYR 50 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 56.81 1hr0 n TYR 50 Cb 0.00 -0.76 -0.05 0.00 -1.03 0.00 0.00 39.34 37.49 1hr0 n TYR 50 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 1hr0 h LYS 51 N 3.56 0.00 0.00 -0.72 1.57 -1.90 -3.35 116.57 115.73 1hr0 h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hr0 h LYS 51 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1hr0 h LYS 51 CO 0.00 0.39 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 1hr0 n GLY 52 N 1.67 0.11 0.20 3.86 0.00 -1.26 -4.74 105.19 105.03 1hr0 n GLY 52 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1hr0 n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1hr0 h SER 53 N 0.00 -0.35 -0.92 1.61 0.87 -1.94 -3.14 113.55 109.68 1hr0 h SER 53 Ca 0.00 -0.14 0.35 0.00 -1.23 0.00 0.00 61.79 60.77 1hr0 h SER 53 Cb 0.00 0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 61.88 1hr0 h SER 53 CO 0.00 -0.05 0.36 0.54 -0.53 0.00 0.00 176.83 177.15 1hr0 n ARG 54 N -5.16 -0.06 -0.33 2.24 5.12 -1.26 -1.09 116.66 116.12 1hr0 n ARG 54 Ca -0.10 1.30 0.25 0.00 -1.93 0.00 0.00 57.85 57.37 1hr0 n ARG 54 Cb 0.25 -2.25 0.47 0.00 -1.16 0.00 0.00 32.46 29.77 1hr0 n ARG 54 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1hr0 h LYS 55 N 0.00 0.00 0.34 5.56 3.64 -1.74 -1.62 116.57 122.75 1hr0 h LYS 55 Ca 0.72 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 60.08 1hr0 h LYS 55 Cb 1.80 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1hr0 h LYS 55 CO -0.75 0.00 -0.16 0.78 -2.27 0.00 0.00 179.45 177.04 1hr0 h GLY 56 N 0.00 -0.48 0.00 5.01 0.00 -1.09 -3.36 103.07 103.15 1hr0 h GLY 56 Ca 0.75 0.18 0.00 0.00 0.00 0.00 0.00 47.33 48.26 1hr0 h GLY 56 CO -0.84 -0.17 0.00 -0.37 0.00 0.00 0.00 176.54 175.16 1hr0 n THR 57 N -5.11 0.00 0.01 4.70 5.66 -0.61 -4.21 114.28 114.73 1hr0 n THR 57 Ca -0.09 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.02 1hr0 n THR 57 Cb 0.27 0.00 0.53 0.00 -1.55 0.00 0.00 70.33 69.58 1hr0 n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1hr0 h PRO 58 N 0.00 0.30 0.18 1.09 0.13 -1.15 -1.28 132.00 131.28 1hr0 h PRO 58 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1hr0 h PRO 58 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 1hr0 h PRO 58 CO 0.00 0.20 -0.09 -0.92 -0.23 0.00 0.00 178.00 176.96 1hr0 h TYR 59 N 0.31 -0.23 -0.40 1.56 3.20 -1.86 0.20 116.97 119.76 1hr0 h TYR 59 Ca 0.19 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1hr0 h TYR 59 Cb 0.36 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 1hr0 h TYR 59 CO -0.00 -0.10 -0.04 0.00 -1.64 0.00 0.00 178.16 176.38 1hr0 h ALA 60 N 0.52 0.33 -0.82 1.82 0.00 -1.63 0.71 119.26 120.19 1hr0 h ALA 60 Ca -0.02 0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.22 1hr0 h ALA 60 Cb 0.22 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1hr0 h ALA 60 CO 0.04 -0.42 0.56 0.00 0.00 0.00 0.00 179.25 179.43 1hr0 h ALA 61 N 1.37 2.36 0.56 0.00 0.00 -0.45 -0.94 119.26 122.16 1hr0 h ALA 61 Ca 0.20 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1hr0 h ALA 61 Cb 0.29 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hr0 h ALA 61 CO -0.36 -0.60 -0.27 0.37 0.00 0.00 0.00 179.25 178.38 1hr0 h GLN 62 N 0.27 -0.72 -0.67 0.00 4.15 0.35 -2.64 115.11 115.85 1hr0 h GLN 62 Ca 0.41 0.05 0.13 0.00 0.77 0.00 0.00 58.65 60.01 1hr0 h GLN 62 Cb 1.19 0.16 -0.10 0.00 0.21 0.00 0.00 27.48 28.95 1hr0 h GLN 62 CO -0.11 -0.48 0.17 -0.07 -1.93 0.00 0.00 178.83 176.42 1hr0 h LEU 63 N -1.20 0.05 -2.01 -2.39 3.38 -0.68 0.20 115.31 112.66 1hr0 h LEU 63 Ca -0.08 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1hr0 h LEU 63 Cb 0.58 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1hr0 h LEU 63 CO 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 178.44 178.65 1hr0 h ALA 64 N 1.53 1.93 0.22 1.53 0.00 -1.25 0.74 119.26 123.97 1hr0 h ALA 64 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1hr0 h ALA 64 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1hr0 h ALA 64 CO -0.44 0.02 -0.11 0.00 0.00 0.00 0.00 179.25 178.72 1hr0 h ALA 65 N 1.98 -0.30 0.32 0.00 0.00 -0.25 -1.16 119.26 119.85 1hr0 h ALA 65 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1hr0 h ALA 65 Cb 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1hr0 h ALA 65 CO 0.00 -0.44 -0.43 -0.07 0.00 0.00 0.00 179.25 178.31 1hr0 h LEU 66 N -0.75 -1.22 -0.60 0.00 3.38 -0.84 -1.12 115.31 114.16 1hr0 h LEU 66 Ca -0.03 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1hr0 h LEU 66 Cb 0.50 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 1hr0 h LEU 66 CO 0.05 -0.56 -0.08 -0.78 0.09 0.00 0.00 178.44 177.16 1hr0 h ASP 67 N -0.80 -0.43 -0.92 -0.43 1.82 -0.94 0.30 116.42 115.02 1hr0 h ASP 67 Ca -0.02 0.17 0.10 0.00 -0.39 0.00 0.00 57.03 56.89 1hr0 h ASP 67 Cb 0.75 0.33 -0.08 0.00 0.68 0.00 0.00 39.33 41.01 1hr0 h ASP 67 CO -0.13 -0.16 0.56 0.00 -1.61 0.00 0.00 179.24 177.90 1hr0 h ALA 68 N 1.58 1.34 0.02 -0.78 0.00 -0.62 -1.07 119.26 119.74 1hr0 h ALA 68 Ca 0.30 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1hr0 h ALA 68 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hr0 h ALA 68 CO -0.58 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 178.87 1hr0 h ALA 69 N 1.49 -0.02 -0.32 0.00 0.00 0.68 -2.25 119.26 118.84 1hr0 h ALA 69 Ca 0.44 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1hr0 h ALA 69 Cb 0.39 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1hr0 h ALA 69 CO -0.24 -0.25 -0.20 0.87 0.00 0.00 0.00 179.25 179.42 1hr0 h LYS 70 N -0.55 -0.16 -1.00 0.00 1.57 -0.30 0.99 116.57 117.12 1hr0 h LYS 70 Ca -0.00 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1hr0 h LYS 70 Cb 0.52 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 1hr0 h LYS 70 CO 0.00 -0.11 0.63 0.87 -0.57 0.00 0.00 179.45 180.28 1hr0 h LYS 71 N -0.17 0.96 0.00 3.15 1.57 -1.23 0.22 116.57 121.08 1hr0 h LYS 71 Ca 0.16 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1hr0 h LYS 71 Cb 0.42 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1hr0 h LYS 71 CO -0.42 0.64 -0.37 0.00 -0.57 0.00 0.00 179.45 178.73 1hr0 h ALA 72 N 1.54 0.89 0.00 3.86 0.00 -0.12 -2.63 119.26 122.80 1hr0 h ALA 72 Ca 0.49 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hr0 h ALA 72 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1hr0 h ALA 72 CO -0.26 0.46 -0.02 0.52 0.00 0.00 0.00 179.25 179.96 1hr0 h MET 73 N 0.00 0.00 0.27 0.00 2.86 0.43 -2.02 114.93 116.46 1hr0 h MET 73 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1hr0 h MET 73 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1hr0 h MET 73 CO 0.05 0.02 -0.13 0.00 1.06 0.00 0.00 176.91 177.91 1hr0 h ALA 74 N 1.98 -0.36 0.00 6.32 0.00 -1.22 -2.22 119.26 123.76 1hr0 h ALA 74 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1hr0 h ALA 74 Cb 0.11 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hr0 h ALA 74 CO 0.00 -0.52 0.00 0.66 0.00 0.00 0.00 179.25 179.40 1hr0 n TYR 75 N -5.09 0.00 -1.13 0.00 4.02 -0.86 -4.47 117.16 109.63 1hr0 n TYR 75 Ca -0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.75 1hr0 n TYR 75 Cb 0.26 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.54 1hr0 n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hr0 n GLY 76 N 0.02 0.70 3.73 2.72 0.00 -0.84 -1.22 105.19 110.31 1hr0 n GLY 76 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1hr0 n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hr0 n MET 77 N -2.37 2.28 0.00 1.61 2.81 -0.82 -3.27 117.12 117.37 1hr0 n MET 77 Ca -0.04 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.65 1hr0 n MET 77 Cb 0.21 -2.47 0.00 0.00 -0.71 0.00 0.00 33.22 30.24 1hr0 n MET 77 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1hr0 n GLN 78 N 0.36 0.00 -4.43 0.03 6.02 0.54 -4.60 117.38 115.29 1hr0 n GLN 78 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.69 1hr0 n GLN 78 Cb 0.38 -0.33 -0.12 0.00 1.02 0.00 0.00 30.24 31.19 1hr0 n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1hr0 s SER 79 N -4.42 4.76 0.10 1.08 0.15 0.15 0.89 113.70 116.41 1hr0 s SER 79 Ca 0.00 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.57 1hr0 s SER 79 Cb 0.00 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.53 1hr0 s SER 79 CO 0.00 0.18 -0.14 -0.69 1.20 0.00 0.00 173.24 173.79 1hr0 s VAL 80 N 0.30 1.26 -0.22 4.45 1.01 -0.32 -0.98 120.40 125.89 1hr0 s VAL 80 Ca -0.04 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 60.35 1hr0 s VAL 80 Cb -0.14 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1hr0 s VAL 80 CO 0.03 -0.35 -0.10 -1.81 0.00 0.00 0.00 175.10 172.86 1hr0 s ASP 81 N -2.21 3.93 -0.11 3.32 1.11 0.81 0.05 116.67 123.57 1hr0 s ASP 81 Ca 0.05 -0.72 -0.17 0.00 0.18 0.00 0.00 52.55 51.89 1hr0 s ASP 81 Cb -0.07 -1.61 -0.05 0.00 1.07 0.00 0.00 42.92 42.27 1hr0 s ASP 81 CO 0.03 -0.07 0.42 -0.69 1.18 0.00 0.00 175.17 176.04 1hr0 s VAL 82 N 1.33 5.19 -0.24 -1.27 1.01 0.11 0.13 120.40 126.66 1hr0 s VAL 82 Ca 0.02 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.86 1hr0 s VAL 82 Cb -0.15 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.53 1hr0 s VAL 82 CO -0.07 0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 174.72 1hr0 s ILE 83 N 0.33 1.65 0.02 2.22 1.01 0.35 -1.06 121.20 125.71 1hr0 s ILE 83 Ca 0.23 -1.32 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 1hr0 s ILE 83 Cb -0.15 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1hr0 s ILE 83 CO 0.09 -0.11 0.37 0.68 0.00 0.00 0.00 174.94 175.97 1hr0 s VAL 84 N 1.34 5.12 -0.07 2.92 -7.23 0.14 -0.81 120.40 121.81 1hr0 s VAL 84 Ca -0.06 0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 60.67 1hr0 s VAL 84 Cb -0.19 -3.65 0.04 0.00 0.56 0.00 0.00 36.38 33.15 1hr0 s VAL 84 CO -0.06 0.47 0.13 -0.13 -0.31 0.00 0.00 175.10 175.19 1hr0 s ARG 85 N -1.41 0.02 0.00 4.82 0.52 -0.16 -0.25 118.95 122.49 1hr0 s ARG 85 Ca 0.26 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 1hr0 s ARG 85 Cb -0.15 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.03 1hr0 s ARG 85 CO 0.14 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1hr0 n GLY 86 N 4.99 0.63 3.10 -3.53 0.00 -1.26 -1.53 105.19 107.59 1hr0 n GLY 86 Ca -0.11 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 1hr0 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hr0 s THR 87 N -1.17 0.79 0.00 2.61 2.01 -1.24 -4.76 115.64 113.88 1hr0 s THR 87 Ca 0.00 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1hr0 s THR 87 Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1hr0 s THR 87 CO 0.00 -0.27 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 1hr0 n GLY 88 N 1.50 1.74 2.76 4.40 0.00 -1.26 -3.31 105.19 111.02 1hr0 n GLY 88 Ca -0.21 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1hr0 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hr0 n ALA 89 N -0.52 0.58 0.00 4.61 0.00 -1.25 -2.73 120.51 121.20 1hr0 n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hr0 n ALA 89 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1hr0 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hr0 n GLY 90 N 3.28 0.21 0.31 0.00 0.00 -1.26 -0.54 105.19 107.19 1hr0 n GLY 90 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 1hr0 n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hr0 n ARG 91 N 0.00 0.34 -0.18 1.61 0.63 -1.10 -4.16 116.66 113.80 1hr0 n ARG 91 Ca 0.00 0.14 0.18 0.00 -0.92 0.00 0.00 57.85 57.25 1hr0 n ARG 91 Cb 0.00 -1.08 0.54 0.00 0.45 0.00 0.00 32.46 32.36 1hr0 n ARG 91 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1hr0 h GLU 92 N -0.65 0.34 0.01 -0.14 4.57 -1.98 -0.58 114.58 116.15 1hr0 h GLU 92 Ca 0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1hr0 h GLU 92 Cb 0.65 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1hr0 h GLU 92 CO 0.00 0.22 -0.00 0.37 -1.18 0.00 0.00 179.01 178.42 1hr0 h GLN 93 N 0.35 -0.01 -0.41 1.92 -0.00 -1.93 -1.73 115.11 113.31 1hr0 h GLN 93 Ca 0.40 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 59.14 1hr0 h GLN 93 Cb 1.05 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.46 1hr0 h GLN 93 CO -0.12 0.03 -0.11 0.00 0.00 0.00 0.00 178.83 178.63 1hr0 h ALA 94 N 0.94 0.26 0.02 3.38 0.00 -1.28 0.12 119.26 122.70 1hr0 h ALA 94 Ca -0.00 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1hr0 h ALA 94 Cb 0.05 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1hr0 h ALA 94 CO 0.00 -0.46 -0.36 0.82 0.00 0.00 0.00 179.25 179.25 1hr0 h ILE 95 N -0.01 0.24 -0.84 0.00 2.04 -1.15 -1.27 117.51 116.51 1hr0 h ILE 95 Ca 0.20 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.19 1hr0 h ILE 95 Cb 0.31 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1hr0 h ILE 95 CO -0.42 0.00 0.45 0.03 0.00 0.00 0.00 178.15 178.21 1hr0 h ARG 96 N -0.53 0.66 -0.93 2.37 3.08 -0.40 0.72 114.38 119.35 1hr0 h ARG 96 Ca 0.05 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1hr0 h ARG 96 Cb 0.61 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 1hr0 h ARG 96 CO -0.28 0.43 0.61 0.00 -1.07 0.00 0.00 179.97 179.67 1hr0 h ALA 97 N 1.53 1.37 0.54 0.04 0.00 -0.18 -1.13 119.26 121.42 1hr0 h ALA 97 Ca 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1hr0 h ALA 97 Cb 0.57 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1hr0 h ALA 97 CO -0.33 0.57 -0.26 -0.07 0.00 0.00 0.00 179.25 179.16 1hr0 h LEU 98 N 1.22 -0.61 -0.97 0.00 3.38 0.18 0.82 115.31 119.33 1hr0 h LEU 98 Ca 0.35 -0.05 0.32 0.00 0.09 0.00 0.00 57.88 58.59 1hr0 h LEU 98 Cb -0.08 0.16 -0.17 0.00 0.09 0.00 0.00 40.66 40.66 1hr0 h LEU 98 CO -0.09 -0.27 0.33 1.56 0.09 0.00 0.00 178.44 180.06 1hr0 h GLN 99 N -0.99 0.10 0.00 1.13 4.20 -0.80 -3.02 115.11 115.72 1hr0 h GLN 99 Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1hr0 h GLN 99 Cb 0.63 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1hr0 h GLN 99 CO 0.12 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 1hr0 n ALA 100 N -2.62 0.00 0.00 3.87 0.00 -0.45 -4.53 120.51 116.78 1hr0 n ALA 100 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1hr0 n ALA 100 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 1hr0 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hr0 n SER 101 N -0.16 0.00 0.00 0.00 3.41 0.26 -4.49 113.62 112.64 1hr0 n SER 101 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1hr0 n SER 101 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1hr0 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hr0 n GLY 102 N 0.00 -2.09 0.00 5.00 0.00 -1.25 -5.08 105.19 101.77 1hr0 n GLY 102 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1hr0 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hr0 n LEU 103 N -0.63 0.00 -4.58 0.99 4.77 -1.25 -4.79 117.00 111.51 1hr0 n LEU 103 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1hr0 n LEU 103 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1hr0 n LEU 103 CO 0.00 0.00 0.69 -1.58 -1.33 0.00 0.00 177.39 175.17 1hr0 s GLN 104 N 0.00 3.70 -0.63 3.23 0.74 0.26 -4.69 119.66 122.27 1hr0 s GLN 104 Ca 0.00 0.34 -0.27 0.00 0.05 0.00 0.00 55.36 55.48 1hr0 s GLN 104 Cb 0.00 -3.85 0.01 0.00 1.10 0.00 0.00 33.01 30.27 1hr0 s GLN 104 CO 0.00 -1.01 1.54 0.08 -0.55 0.00 0.00 175.29 175.35 1hr0 s VAL 105 N 3.43 3.60 0.39 1.34 1.01 -1.26 -1.17 120.40 127.74 1hr0 s VAL 105 Ca 0.35 0.41 0.10 0.00 0.00 0.00 0.00 61.98 62.84 1hr0 s VAL 105 Cb -0.12 -4.41 0.16 0.00 0.00 0.00 0.00 36.38 32.01 1hr0 s VAL 105 CO 0.20 -1.29 1.92 0.11 0.00 0.00 0.00 175.10 176.04 1hr0 h LYS 106 N 12.13 0.22 0.00 2.72 1.79 -0.76 -3.47 116.57 129.21 1hr0 h LYS 106 Ca -0.27 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1hr0 h LYS 106 Cb 1.10 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1hr0 h LYS 106 CO 1.22 0.37 0.00 -1.13 -1.08 0.00 0.00 179.45 178.83 1hr0 n SER 107 N -4.27 0.00 -4.54 0.86 3.41 -1.26 -5.03 113.62 102.79 1hr0 n SER 107 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 1hr0 n SER 107 Cb 0.27 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.10 1hr0 n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hr0 s ILE 108 N -2.00 3.43 -0.14 -1.33 1.01 -1.26 0.08 121.20 120.99 1hr0 s ILE 108 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1hr0 s ILE 108 Cb 0.00 -2.38 0.05 0.00 0.01 0.00 0.00 42.46 40.14 1hr0 s ILE 108 CO 0.00 0.58 0.33 -0.69 0.00 0.00 0.00 174.94 175.16 1hr0 s VAL 109 N -0.79 -0.07 -0.14 2.92 1.01 -0.22 -4.99 120.40 118.11 1hr0 s VAL 109 Ca 0.12 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.99 1hr0 s VAL 109 Cb -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1hr0 s VAL 109 CO 0.01 0.05 0.75 -0.62 0.00 0.00 0.00 175.10 175.30 1hr0 s ASP 110 N 1.43 6.91 -0.09 3.32 -1.08 -1.26 -0.68 116.67 125.22 1hr0 s ASP 110 Ca -0.09 1.11 0.19 0.00 -0.52 0.00 0.00 52.55 53.24 1hr0 s ASP 110 Cb -0.10 -2.42 0.40 0.00 -1.46 0.00 0.00 42.92 39.34 1hr0 s ASP 110 CO -0.11 -0.29 1.18 -0.67 0.52 0.00 0.00 175.17 175.81 1hr0 n ASP 111 N 4.75 1.28 -4.73 -0.34 2.03 0.66 -4.92 116.55 115.28 1hr0 n ASP 111 Ca 0.02 -2.80 -0.42 0.00 0.52 0.00 0.00 54.79 52.11 1hr0 n ASP 111 Cb 0.50 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 1hr0 n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1hr0 n THR 112 N -0.24 0.35 -2.37 5.18 -1.04 -1.22 -4.86 114.28 110.09 1hr0 n THR 112 Ca 0.11 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.66 1hr0 n THR 112 Cb 0.93 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.45 1hr0 n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1hr0 s PRO 113 N 0.59 4.03 -0.12 -2.82 0.04 -1.26 -4.94 135.00 130.51 1hr0 s PRO 113 Ca 0.71 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 1hr0 s PRO 113 Cb -0.51 -2.58 0.06 0.00 0.04 0.00 0.00 34.50 31.51 1hr0 s PRO 113 CO 0.38 -0.31 0.26 0.54 0.04 0.00 0.00 177.00 177.92 1hr0 s VAL 114 N -1.52 -0.25 0.58 -0.36 0.11 -1.26 -5.01 120.40 112.70 1hr0 s VAL 114 Ca 0.59 0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 59.69 1hr0 s VAL 114 Cb -0.27 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1hr0 s VAL 114 CO 0.34 0.09 1.04 -2.16 -3.33 0.00 0.00 175.10 171.08 1hr0 s PRO 115 N 1.89 3.48 -0.40 1.54 0.04 -1.26 -4.90 135.00 135.40 1hr0 s PRO 115 Ca -0.04 1.12 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1hr0 s PRO 115 Cb -0.11 -2.06 0.31 0.00 0.04 0.00 0.00 34.50 32.68 1hr0 s PRO 115 CO -0.09 -0.67 1.95 0.72 0.04 0.00 0.00 177.00 178.95 1hr0 n HIS 116 N -1.96 2.05 -1.73 0.56 8.25 -1.26 -4.78 115.22 116.36 1hr0 n HIS 116 Ca 0.08 -2.13 -0.00 0.00 -0.26 0.00 0.00 57.72 55.41 1hr0 n HIS 116 Cb 0.53 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.61 1hr0 n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1hr0 n ASN 117 N -0.14 -3.11 0.02 0.41 5.03 -1.26 -5.10 115.26 111.12 1hr0 n ASN 117 Ca 0.40 0.24 0.00 0.00 0.87 0.00 0.00 54.58 56.09 1hr0 n ASN 117 Cb 0.72 -1.80 0.00 0.00 -1.02 0.00 0.00 39.78 37.68 1hr0 n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hr0 n GLY 118 N 0.03 0.02 3.72 7.41 0.00 -1.26 -5.08 105.19 110.02 1hr0 n GLY 118 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1hr0 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hr0 s ARG 120 N -0.59 4.14 0.75 0.00 3.52 -1.26 -4.93 118.95 120.57 1hr0 s ARG 120 Ca 0.11 2.59 -0.11 0.00 -0.13 0.00 0.00 55.73 58.19 1hr0 s ARG 120 Cb -0.12 -3.93 0.04 0.00 -1.56 0.00 0.00 34.95 29.38 1hr0 s ARG 120 CO 0.02 -0.91 1.09 -1.25 -0.81 0.00 0.00 175.30 173.44 1hr0 s PRO 121 N 3.77 2.45 0.68 5.12 0.04 -1.26 -4.97 135.00 140.82 1hr0 s PRO 121 Ca 0.85 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 1hr0 s PRO 121 Cb -0.44 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1hr0 s PRO 121 CO 0.39 -1.49 1.24 -1.59 0.04 0.00 0.00 177.00 175.59 1hr0 s LYS 122 N -4.87 2.43 0.22 4.56 -2.85 -1.26 -4.60 119.74 113.36 1hr0 s LYS 122 Ca 0.61 1.89 -0.08 0.00 -1.00 0.00 0.00 55.97 57.39 1hr0 s LYS 122 Cb -0.17 -1.85 0.33 0.00 -2.06 0.00 0.00 37.83 34.08 1hr0 s LYS 122 CO 0.55 -1.64 1.26 1.17 0.10 0.00 0.00 175.35 176.78 1hr0 n LYS 123 N -2.22 -0.10 0.26 1.78 4.81 -1.26 0.13 118.16 121.57 1hr0 n LYS 123 Ca 0.14 1.26 0.04 0.00 -0.87 0.00 0.00 58.31 58.88 1hr0 n LYS 123 Cb 0.49 -1.88 0.19 0.00 0.02 0.00 0.00 35.03 33.86 1hr0 n LYS 123 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1hr0 h LYS 124 N 0.00 0.00 0.00 1.64 3.64 -2.03 0.73 116.57 120.55 1hr0 h LYS 124 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1hr0 h LYS 124 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1hr0 h LYS 124 CO -0.83 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.54 1hr0 n PHE 125 N -2.29 0.00 -0.03 1.91 3.01 0.35 -5.04 117.46 115.37 1hr0 n PHE 125 Ca -0.00 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1hr0 n PHE 125 Cb 0.73 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1hr0 n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1hr0 n ARG 126 N -0.10 3.70 -3.89 -1.08 1.74 0.25 -4.65 116.66 112.64 1hr0 n ARG 126 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1hr0 n ARG 126 Cb 0.12 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.60 1hr0 n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hr0 n LYS 127 N 0.00 -5.79 0.00 5.56 4.76 -1.26 -4.90 118.16 116.53 1hr0 n LYS 127 Ca 0.00 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1hr0 n LYS 127 Cb 0.00 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 27.66 1hr0 n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hr0 n ALA 128 N -4.73 0.28 -0.23 7.82 0.00 -1.26 -5.24 120.51 117.15 1hr0 n ALA 128 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1hr0 n ALA 128 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1hr0 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37