#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 s SER 2 N 0.00 6.10 0.22 1.61 0.01 -1.26 -4.93 113.70 115.46 1wk0 s SER 2 Ca 0.00 -2.85 -0.11 0.00 1.31 0.00 0.00 55.95 54.31 1wk0 s SER 2 Cb 0.00 -2.05 0.32 0.00 0.21 0.00 0.00 66.02 64.50 1wk0 s SER 2 CO 0.00 -0.46 1.63 -1.28 0.41 0.00 0.00 173.24 173.54 1wk0 h SER 3 N 7.34 -0.49 -0.46 2.44 0.87 -2.12 -3.42 113.55 117.71 1wk0 h SER 3 Ca 0.06 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1wk0 h SER 3 Cb 0.99 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1wk0 h SER 3 CO 0.74 -0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.46 1wk0 n GLY 4 N -1.43 0.99 2.87 5.77 0.00 -1.26 -5.09 105.19 107.04 1wk0 n GLY 4 Ca 0.10 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1wk0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wk0 s SER 5 N -1.00 3.65 0.06 1.61 1.04 -1.26 -5.10 113.70 112.70 1wk0 s SER 5 Ca 0.00 -1.16 -0.27 0.00 0.48 0.00 0.00 55.95 54.99 1wk0 s SER 5 Cb 0.00 -1.01 0.09 0.00 0.10 0.00 0.00 66.02 65.19 1wk0 s SER 5 CO 0.00 -0.28 1.00 -0.55 0.98 0.00 0.00 173.24 174.40 1wk0 s SER 6 N 1.52 -0.21 0.00 7.02 0.15 -1.26 -5.18 113.70 115.74 1wk0 s SER 6 Ca -0.03 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1wk0 s SER 6 Cb -0.18 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1wk0 s SER 6 CO -0.08 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1wk0 n GLY 7 N -0.39 1.01 0.13 9.45 0.00 -1.26 -5.06 105.19 109.07 1wk0 n GLY 7 Ca -0.07 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.16 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wk0 n ASP 8 N 0.00 1.89 -0.37 1.61 8.00 -1.26 -4.38 116.55 122.05 1wk0 n ASP 8 Ca 0.00 -0.08 0.32 0.00 0.71 0.00 0.00 54.79 55.74 1wk0 n ASP 8 Cb 0.00 -0.40 0.58 0.00 -0.02 0.00 0.00 41.12 41.28 1wk0 n ASP 8 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1wk0 h GLU 9 N 0.01 0.10 -0.27 -1.24 4.11 -2.00 0.74 114.58 116.03 1wk0 h GLU 9 Ca -0.55 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.85 1wk0 h GLU 9 Cb 1.94 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 1wk0 h GLU 9 CO -0.06 0.07 0.07 0.93 0.07 0.00 0.00 179.01 180.10 1wk0 h GLU 10 N 0.11 0.43 -0.86 1.06 3.07 -2.00 -2.89 114.58 113.49 1wk0 h GLU 10 Ca 0.82 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.58 1wk0 h GLU 10 Cb 2.23 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 30.04 1wk0 h GLU 10 CO -0.61 0.51 0.57 1.15 -1.40 0.00 0.00 179.01 179.23 1wk0 h THR 11 N 0.27 1.22 -0.09 1.13 2.02 0.24 -2.70 112.91 115.00 1wk0 h THR 11 Ca 0.09 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1wk0 h THR 11 Cb 0.27 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1wk0 h THR 11 CO -0.00 0.21 -0.11 0.11 0.37 0.00 0.00 175.52 176.11 1wk0 h LYS 12 N 1.17 -0.13 -0.64 6.66 1.79 -1.10 -0.34 116.57 123.98 1wk0 h LYS 12 Ca 0.32 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.91 1wk0 h LYS 12 Cb -0.14 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 1wk0 h LYS 12 CO -0.07 -0.09 0.43 0.00 -1.08 0.00 0.00 179.45 178.64 1wk0 h ALA 13 N 0.92 2.08 -0.04 3.86 0.00 -1.32 -0.23 119.26 124.52 1wk0 h ALA 13 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1wk0 h ALA 13 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wk0 h ALA 13 CO -0.18 -0.23 -0.78 0.74 0.00 0.00 0.00 179.25 178.80 1wk0 h PHE 14 N 0.38 0.44 -0.03 0.00 0.04 -1.07 0.26 116.94 116.96 1wk0 h PHE 14 Ca 0.30 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 1wk0 h PHE 14 Cb 0.66 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1wk0 h PHE 14 CO -0.00 0.97 -0.34 0.93 -0.60 0.00 0.00 178.31 179.28 1wk0 h GLU 15 N 0.21 0.05 0.08 1.51 5.08 0.59 0.12 114.58 122.22 1wk0 h GLU 15 Ca -0.04 -0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.94 1wk0 h GLU 15 Cb 1.36 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1wk0 h GLU 15 CO 0.13 0.38 -2.13 0.00 -1.00 0.00 0.00 179.01 176.39 1wk0 n ALA 16 N -2.47 1.07 0.22 3.43 0.00 -0.84 -3.86 120.51 118.06 1wk0 n ALA 16 Ca -0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 1wk0 n ALA 16 Cb 0.39 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.25 1wk0 n ALA 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wk0 h LEU 17 N 0.05 -0.51 -2.03 0.00 5.85 -0.46 -2.77 115.31 115.44 1wk0 h LEU 17 Ca -0.47 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.25 1wk0 h LEU 17 Cb 2.00 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 1wk0 h LEU 17 CO 0.04 -0.13 0.38 -0.07 -0.34 0.00 0.00 178.44 178.32 1wk0 h LEU 18 N -0.96 0.00 -3.79 2.25 3.38 -1.16 0.36 115.31 115.38 1wk0 h LEU 18 Ca -0.06 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.51 1wk0 h LEU 18 Cb 0.57 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.08 1wk0 h LEU 18 CO 0.10 0.00 0.42 -1.20 0.09 0.00 0.00 178.44 177.85 1wk0 n SER 19 N -3.64 3.44 -0.57 -0.43 7.64 -1.12 -4.26 113.62 114.68 1wk0 n SER 19 Ca 0.05 -3.63 0.06 0.00 1.01 0.00 0.00 58.87 56.36 1wk0 n SER 19 Cb 0.54 -0.77 0.18 0.00 -1.01 0.00 0.00 64.21 63.14 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wk0 n ASN 20 N -1.08 1.74 -4.97 6.43 5.15 0.13 -4.88 115.26 117.77 1wk0 n ASN 20 Ca 0.51 -3.60 -0.20 0.00 -0.60 0.00 0.00 54.58 50.69 1wk0 n ASN 20 Cb 1.47 -0.49 0.03 0.00 -0.53 0.00 0.00 39.78 40.27 1wk0 n ASN 20 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1wk0 s ILE 21 N -2.89 2.73 -0.06 -1.44 -0.00 -1.26 -3.09 121.20 115.18 1wk0 s ILE 21 Ca 0.36 -0.80 -0.02 0.00 -0.00 0.00 0.00 60.65 60.19 1wk0 s ILE 21 Cb 0.35 -2.93 -0.04 0.00 -0.00 0.00 0.00 42.46 39.85 1wk0 s ILE 21 CO -0.06 0.00 0.04 0.54 -0.00 0.00 0.00 174.94 175.46 1wk0 s VAL 22 N -2.63 4.55 0.41 8.37 0.11 -1.26 -4.79 120.40 125.16 1wk0 s VAL 22 Ca 0.57 -0.26 -0.24 0.00 -2.93 0.00 0.00 61.98 59.12 1wk0 s VAL 22 Cb -0.10 -2.97 -0.11 0.00 -1.53 0.00 0.00 36.38 31.67 1wk0 s VAL 22 CO 0.37 0.53 0.89 2.29 -3.33 0.00 0.00 175.10 175.85 1wk0 n LYS 23 N 1.82 1.13 -2.26 1.54 2.85 -1.26 -4.40 118.16 117.58 1wk0 n LYS 23 Ca -0.17 0.41 -0.38 0.00 -1.05 0.00 0.00 58.31 57.11 1wk0 n LYS 23 Cb 0.53 -1.88 -0.01 0.00 -0.65 0.00 0.00 35.03 33.02 1wk0 n LYS 23 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1wk0 s PRO 24 N -1.87 3.94 -0.20 -1.58 0.04 -1.26 -4.81 135.00 129.26 1wk0 s PRO 24 Ca 0.63 1.85 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 1wk0 s PRO 24 Cb -0.58 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1wk0 s PRO 24 CO 0.57 -0.42 0.05 0.08 0.04 0.00 0.00 177.00 177.33 1wk0 s VAL 25 N -1.44 4.57 -0.06 -0.36 1.01 0.36 -4.74 120.40 119.74 1wk0 s VAL 25 Ca 0.59 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 1wk0 s VAL 25 Cb -0.31 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1wk0 s VAL 25 CO 0.38 0.43 0.84 0.00 0.00 0.00 0.00 175.10 176.75 1wk0 s ALA 26 N 0.72 3.31 0.29 5.51 0.00 -1.26 -1.67 121.76 128.66 1wk0 s ALA 26 Ca 0.03 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1wk0 s ALA 26 Cb -0.13 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1wk0 s ALA 26 CO 0.02 -0.27 0.30 -1.12 0.00 0.00 0.00 175.76 174.69 1wk0 s SER 27 N 0.95 1.00 -1.20 0.00 0.01 0.10 -4.88 113.70 109.67 1wk0 s SER 27 Ca 0.43 -1.55 -0.13 0.00 1.31 0.00 0.00 55.95 56.01 1wk0 s SER 27 Cb -0.19 0.54 0.13 0.00 0.21 0.00 0.00 66.02 66.72 1wk0 s SER 27 CO 0.21 -1.07 0.33 0.47 0.41 0.00 0.00 173.24 173.59 1wk0 n ASP 28 N -1.12 -0.92 -4.77 2.44 8.00 -1.26 -1.00 116.55 117.93 1wk0 n ASP 28 Ca 0.04 -0.82 -0.40 0.00 0.71 0.00 0.00 54.79 54.32 1wk0 n ASP 28 Cb 0.63 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wk0 s ILE 29 N -2.69 2.35 0.20 0.53 1.01 -1.26 -3.98 121.20 117.35 1wk0 s ILE 29 Ca 0.47 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.46 1wk0 s ILE 29 Cb -0.27 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 1wk0 s ILE 29 CO 0.67 0.06 0.06 0.00 0.00 0.00 0.00 174.94 175.73 1wk0 n GLN 30 N 0.18 0.82 0.00 2.79 3.00 0.32 -4.84 117.38 119.65 1wk0 n GLN 30 Ca 0.03 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1wk0 n GLN 30 Cb 0.42 0.87 0.00 0.00 0.00 0.00 0.00 30.24 31.53 1wk0 n GLN 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wk0 n ALA 31 N -2.08 0.00 -0.02 -1.58 0.00 -1.26 -3.39 120.51 112.17 1wk0 n ALA 31 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wk0 n ALA 31 Cb 0.30 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 1wk0 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wk0 n ARG 32 N -2.16 1.68 -3.56 0.00 1.74 -1.26 -3.87 116.66 109.23 1wk0 n ARG 32 Ca 0.00 -0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 1wk0 n ARG 32 Cb 0.00 -1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1wk0 n ARG 32 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wk0 s THR 33 N -2.36 5.09 0.31 0.55 -4.23 -1.26 -3.81 115.64 109.93 1wk0 s THR 33 Ca -0.04 0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.56 1wk0 s THR 33 Cb 0.04 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 1wk0 s THR 33 CO 0.34 -0.06 0.42 0.68 -0.54 0.00 0.00 174.62 175.46 1wk0 s VAL 34 N -1.78 0.00 -0.31 2.29 -7.23 -1.16 0.12 120.40 112.32 1wk0 s VAL 34 Ca 0.43 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1wk0 s VAL 34 Cb -0.12 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.35 1wk0 s VAL 34 CO 0.25 0.00 0.00 -0.69 -0.31 0.00 0.00 175.10 174.35 1wk0 s VAL 35 N -3.34 2.49 -0.36 1.32 1.01 -0.17 -1.58 120.40 119.77 1wk0 s VAL 35 Ca 0.31 -1.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 1wk0 s VAL 35 Cb 0.01 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1wk0 s VAL 35 CO 0.19 -0.32 0.26 -0.22 0.00 0.00 0.00 175.10 175.00 1wk0 s LEU 36 N 1.06 4.68 -0.13 3.92 2.96 -0.08 0.01 118.68 131.10 1wk0 s LEU 36 Ca 0.01 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1wk0 s LEU 36 Cb -0.20 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.35 1wk0 s LEU 36 CO -0.05 -0.29 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.57 1wk0 s THR 37 N 1.71 2.11 0.11 3.68 2.01 -0.67 -1.72 115.64 122.87 1wk0 s THR 37 Ca 0.06 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1wk0 s THR 37 Cb -0.18 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1wk0 s THR 37 CO 0.10 0.55 -0.04 -1.66 -0.69 0.00 0.00 174.62 172.89 1wk0 s TRP 38 N 0.65 0.91 0.14 4.92 -2.14 -1.22 -0.49 118.94 121.71 1wk0 s TRP 38 Ca -0.11 -0.99 0.05 0.00 2.66 0.00 0.00 56.10 57.71 1wk0 s TRP 38 Cb -0.16 -0.53 -0.04 0.00 -3.10 0.00 0.00 33.47 29.63 1wk0 s TRP 38 CO 0.02 -0.23 0.09 0.45 -2.66 0.00 0.00 176.95 174.63 1wk0 s SER 39 N -3.06 5.37 0.93 -2.66 0.15 -1.26 -4.68 113.70 108.50 1wk0 s SER 39 Ca 0.15 -0.15 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 1wk0 s SER 39 Cb 0.06 -1.36 0.15 0.00 -1.71 0.00 0.00 66.02 63.16 1wk0 s SER 39 CO -0.03 0.10 1.09 -2.16 1.20 0.00 0.00 173.24 173.44 1wk0 s PRO 40 N -2.87 0.95 0.66 5.44 0.04 -1.26 -4.00 135.00 133.96 1wk0 s PRO 40 Ca 0.30 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 1wk0 s PRO 40 Cb -0.10 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1wk0 s PRO 40 CO 0.22 -2.42 1.11 -1.25 0.04 0.00 0.00 177.00 174.70 1wk0 s PRO 41 N -4.94 2.79 -0.41 0.56 0.04 -1.26 -4.64 135.00 127.14 1wk0 s PRO 41 Ca 0.64 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1wk0 s PRO 41 Cb -0.18 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1wk0 s PRO 41 CO 0.57 -1.25 0.26 -1.12 0.04 0.00 0.00 177.00 175.50 1wk0 s SER 42 N -2.60 5.86 0.07 6.66 0.01 -1.18 -4.96 113.70 117.56 1wk0 s SER 42 Ca 0.67 -1.13 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1wk0 s SER 42 Cb -0.20 -2.07 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 1wk0 s SER 42 CO 0.42 -0.47 1.83 -0.94 0.41 0.00 0.00 173.24 174.49 1wk0 s SER 43 N 1.84 6.48 -0.02 2.44 1.04 -1.26 -4.86 113.70 119.37 1wk0 s SER 43 Ca 0.03 2.64 0.09 0.00 0.48 0.00 0.00 55.95 59.18 1wk0 s SER 43 Cb -0.21 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.64 1wk0 s SER 43 CO 0.06 -0.99 1.19 0.18 0.98 0.00 0.00 173.24 174.66 1wk0 n LEU 44 N 6.41 1.86 0.18 2.42 4.77 -1.26 -4.18 117.00 127.21 1wk0 n LEU 44 Ca 0.18 -0.94 0.10 0.00 -0.03 0.00 0.00 56.01 55.33 1wk0 n LEU 44 Cb 0.40 -0.27 0.54 0.00 -2.33 0.00 0.00 43.42 41.76 1wk0 n LEU 44 CO 0.66 0.41 0.86 0.40 -1.33 0.00 0.00 177.39 178.38 1wk0 h ILE 45 N 1.75 0.00 -1.63 -0.08 2.04 -2.01 -3.45 117.51 114.14 1wk0 h ILE 45 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 1wk0 h ILE 45 Cb 0.53 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1wk0 h ILE 45 CO 0.04 0.00 -0.28 0.59 0.00 0.00 0.00 178.15 178.50 1wk0 n ASN 46 N -2.26 -3.54 0.00 1.72 4.13 -1.26 -2.37 115.26 111.68 1wk0 n ASN 46 Ca -0.01 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1wk0 n ASN 46 Cb 0.18 -2.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.67 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wk0 n GLY 47 N -1.03 1.19 0.37 7.41 0.00 -1.26 -4.80 105.19 107.07 1wk0 n GLY 47 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1wk0 n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wk0 h GLU 48 N 1.54 0.00 -6.18 1.61 4.57 -1.86 -3.39 114.58 110.87 1wk0 h GLU 48 Ca 0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 1wk0 h GLU 48 Cb 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.45 1wk0 h GLU 48 CO 0.00 0.00 -0.75 -0.08 -1.18 0.00 0.00 179.01 177.00 1wk0 s THR 49 N -4.16 2.47 0.45 0.32 -1.32 -1.26 -5.11 115.64 107.04 1wk0 s THR 49 Ca -0.02 -2.37 -0.23 0.00 -1.21 0.00 0.00 61.69 57.86 1wk0 s THR 49 Cb 0.07 -2.36 -0.10 0.00 -1.51 0.00 0.00 72.50 68.60 1wk0 s THR 49 CO 0.22 -0.38 0.91 0.47 -2.21 0.00 0.00 174.62 173.64 1wk0 n ASP 50 N -0.65 0.78 0.05 8.08 8.00 -1.26 -4.89 116.55 126.66 1wk0 n ASP 50 Ca -0.05 0.97 -0.05 0.00 0.71 0.00 0.00 54.79 56.37 1wk0 n ASP 50 Cb 0.60 -1.31 0.16 0.00 -0.02 0.00 0.00 41.12 40.55 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wk0 h GLU 51 N 1.23 0.39 -1.20 -1.24 5.08 -1.99 -2.94 114.58 113.92 1wk0 h GLU 51 Ca -0.44 -0.20 -0.31 0.00 -1.00 0.00 0.00 59.36 57.41 1wk0 h GLU 51 Cb 1.35 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.45 1wk0 h GLU 51 CO 0.55 0.75 0.40 0.43 -1.00 0.00 0.00 179.01 180.13 1wk0 n SER 52 N -4.01 4.73 -0.08 1.42 7.64 -1.26 -4.17 113.62 117.89 1wk0 n SER 52 Ca -0.02 -2.97 -0.16 0.00 1.01 0.00 0.00 58.87 56.74 1wk0 n SER 52 Cb 0.51 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 1wk0 n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wk0 n SER 53 N -0.12 1.56 -4.65 6.43 3.41 -1.11 -4.98 113.62 114.16 1wk0 n SER 53 Ca 0.32 0.26 -0.48 0.00 -0.26 0.00 0.00 58.87 58.71 1wk0 n SER 53 Cb 0.90 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1wk0 n VAL 54 N -4.04 0.10 -1.24 -3.33 0.24 -1.26 -4.95 118.33 103.85 1wk0 n VAL 54 Ca -0.28 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.34 61.70 1wk0 n VAL 54 Cb 0.62 -1.41 0.10 0.00 -1.47 0.00 0.00 33.84 31.68 1wk0 n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wk0 s PRO 55 N 1.40 2.02 -0.11 7.34 0.04 -1.26 -4.99 135.00 139.44 1wk0 s PRO 55 Ca 0.83 1.09 0.14 0.00 0.04 0.00 0.00 61.00 63.10 1wk0 s PRO 55 Cb -0.76 -1.88 0.28 0.00 0.04 0.00 0.00 34.50 32.18 1wk0 s PRO 55 CO 0.43 -1.79 1.14 -0.85 0.04 0.00 0.00 177.00 175.98 1wk0 n GLU 56 N -3.61 0.97 -0.64 4.56 0.28 -1.26 -4.70 120.64 116.23 1wk0 n GLU 56 Ca 0.09 -2.39 0.02 0.00 -0.16 0.00 0.00 57.16 54.72 1wk0 n GLU 56 Cb 0.53 -1.18 0.25 0.00 1.43 0.00 0.00 31.44 32.48 1wk0 n GLU 56 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wk0 n LEU 57 N -0.88 4.35 -4.49 -1.84 7.99 -1.26 -4.88 117.00 115.98 1wk0 n LEU 57 Ca 0.13 -3.26 -0.46 0.00 -0.01 0.00 0.00 56.01 52.41 1wk0 n LEU 57 Cb 0.72 -0.61 -0.06 0.00 -0.11 0.00 0.00 43.42 43.36 1wk0 n LEU 57 CO -0.01 0.85 1.90 -1.22 -1.51 0.00 0.00 177.39 177.40 1wk0 n TYR 58 N -0.63 1.52 -1.48 -1.77 4.01 -1.26 -4.75 117.16 112.80 1wk0 n TYR 58 Ca 0.28 0.19 -0.44 0.00 -0.16 0.00 0.00 57.90 57.77 1wk0 n TYR 58 Cb 1.02 -2.57 -0.08 0.00 -0.31 0.00 0.00 39.34 37.40 1wk0 n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wk0 n GLY 59 N 6.32 0.12 3.49 2.72 0.00 0.75 -4.56 105.19 114.03 1wk0 n GLY 59 Ca 0.41 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.92 1wk0 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk0 s TYR 60 N 9.13 3.14 -0.22 1.61 2.02 0.09 -0.38 117.35 132.74 1wk0 s TYR 60 Ca 1.14 -0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 57.45 1wk0 s TYR 60 Cb -0.79 -3.04 -0.05 0.00 -0.40 0.00 0.00 41.96 37.68 1wk0 s TYR 60 CO 0.43 -0.76 0.13 -2.00 -1.57 0.00 0.00 175.55 171.78 1wk0 s GLU 61 N 2.34 4.08 -0.26 -0.62 2.12 0.45 -3.27 118.70 123.54 1wk0 s GLU 61 Ca 0.15 -0.27 -0.19 0.00 0.36 0.00 0.00 54.97 55.02 1wk0 s GLU 61 Cb -0.16 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1wk0 s GLU 61 CO 0.15 0.17 0.55 0.08 -0.54 0.00 0.00 175.26 175.68 1wk0 s VAL 62 N 0.71 5.04 -0.15 3.70 1.01 -0.96 -1.10 120.40 128.64 1wk0 s VAL 62 Ca 0.07 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 1wk0 s VAL 62 Cb -0.12 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1wk0 s VAL 62 CO 0.01 0.07 -0.08 -0.76 0.00 0.00 0.00 175.10 174.34 1wk0 s LEU 63 N 2.37 2.98 0.03 3.92 1.43 -0.37 -3.04 118.68 126.00 1wk0 s LEU 63 Ca 0.23 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1wk0 s LEU 63 Cb -0.16 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1wk0 s LEU 63 CO 0.09 0.14 -0.08 0.27 0.23 0.00 0.00 176.35 177.00 1wk0 s ILE 64 N 0.53 0.59 -0.45 -0.59 -4.36 -1.19 -1.48 121.20 114.24 1wk0 s ILE 64 Ca -0.05 -0.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1wk0 s ILE 64 Cb -0.15 -0.60 0.14 0.00 1.25 0.00 0.00 42.46 43.10 1wk0 s ILE 64 CO 0.03 -0.20 0.27 -0.44 0.24 0.00 0.00 174.94 174.84 1wk0 s SER 65 N -1.14 3.45 0.49 4.36 0.01 -1.23 -2.45 113.70 117.19 1wk0 s SER 65 Ca -0.05 -2.73 0.29 0.00 1.31 0.00 0.00 55.95 54.77 1wk0 s SER 65 Cb -0.08 -0.96 1.38 0.00 0.21 0.00 0.00 66.02 66.58 1wk0 s SER 65 CO 0.00 -0.25 1.82 0.77 0.41 0.00 0.00 173.24 176.00 1wk0 h SER 66 N 6.53 0.15 -0.01 2.44 4.64 -1.89 -0.28 113.55 125.14 1wk0 h SER 66 Ca 0.04 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1wk0 h SER 66 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1wk0 h SER 66 CO 0.47 0.03 -0.04 0.71 -0.87 0.00 0.00 176.83 177.13 1wk0 h THR 67 N 0.14 1.54 0.00 2.95 1.35 -1.93 -3.46 112.91 113.49 1wk0 h THR 67 Ca 0.54 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1wk0 h THR 67 Cb 1.86 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.90 1wk0 h THR 67 CO -0.10 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1wk0 n GLY 68 N 0.76 1.70 0.36 5.82 0.00 -0.11 -5.03 105.19 108.68 1wk0 n GLY 68 Ca -0.09 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1wk0 n GLY 68 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wk0 h LYS 69 N 0.00 -0.45 -2.12 1.61 3.64 -1.95 -1.89 116.57 115.41 1wk0 h LYS 69 Ca 0.00 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1wk0 h LYS 69 Cb 0.00 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1wk0 h LYS 69 CO 0.00 -0.30 -0.20 -3.47 -2.27 0.00 0.00 179.45 173.21 1wk0 n ASP 70 N -5.42 4.47 0.00 4.20 -0.08 -1.26 -4.72 116.55 113.74 1wk0 n ASP 70 Ca -0.04 -2.30 0.00 0.00 -1.51 0.00 0.00 54.79 50.94 1wk0 n ASP 70 Cb 0.34 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.65 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wk0 n GLY 71 N 2.35 5.45 3.62 0.27 0.00 -0.71 -5.12 105.19 111.05 1wk0 n GLY 71 Ca 0.28 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1wk0 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wk0 s LYS 72 N 3.68 4.05 0.24 1.61 2.36 -1.26 -5.04 119.74 125.39 1wk0 s LYS 72 Ca 0.00 0.05 -0.08 0.00 -2.55 0.00 0.00 55.97 53.39 1wk0 s LYS 72 Cb 0.00 -3.62 -0.07 0.00 -1.05 0.00 0.00 37.83 33.09 1wk0 s LYS 72 CO 0.00 -0.20 0.54 0.71 1.55 0.00 0.00 175.35 177.95 1wk0 s TYR 73 N 1.82 3.44 0.04 4.03 1.51 -1.26 -4.57 117.35 122.36 1wk0 s TYR 73 Ca 0.15 0.80 0.04 0.00 -1.01 0.00 0.00 57.07 57.05 1wk0 s TYR 73 Cb -0.15 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1wk0 s TYR 73 CO 0.09 0.25 -0.11 0.21 -1.11 0.00 0.00 175.55 174.88 1wk0 s LYS 74 N -2.99 0.75 -0.22 -0.62 2.20 -1.03 -4.94 119.74 112.89 1wk0 s LYS 74 Ca 0.46 -0.70 -0.27 0.00 -0.36 0.00 0.00 55.97 55.10 1wk0 s LYS 74 Cb -0.11 -0.69 -0.00 0.00 -1.51 0.00 0.00 37.83 35.51 1wk0 s LYS 74 CO 0.24 0.17 0.93 -1.54 -0.36 0.00 0.00 175.35 174.79 1wk0 s SER 75 N -1.17 7.00 -0.12 1.43 1.04 -1.26 -3.18 113.70 117.43 1wk0 s SER 75 Ca -0.02 1.24 0.14 0.00 0.48 0.00 0.00 55.95 57.79 1wk0 s SER 75 Cb -0.08 -2.49 -0.20 0.00 0.10 0.00 0.00 66.02 63.35 1wk0 s SER 75 CO 0.01 -0.56 0.12 1.33 0.98 0.00 0.00 173.24 175.12 1wk0 n VAL 76 N 5.16 0.80 -3.66 5.02 0.24 -1.17 -5.01 118.33 119.72 1wk0 n VAL 76 Ca 0.08 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1wk0 n VAL 76 Cb 0.47 -0.44 -0.08 0.00 -1.47 0.00 0.00 33.84 32.32 1wk0 n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1wk0 s TYR 77 N -2.53 -0.76 -0.20 6.34 6.14 -1.26 -4.95 117.35 120.12 1wk0 s TYR 77 Ca -0.07 1.77 -0.04 0.00 0.64 0.00 0.00 57.07 59.37 1wk0 s TYR 77 Cb 0.06 0.31 0.07 0.00 0.42 0.00 0.00 41.96 42.82 1wk0 s TYR 77 CO 0.63 -0.37 0.08 0.08 0.64 0.00 0.00 175.55 176.60 1wk0 s VAL 78 N 0.64 0.18 0.00 3.14 1.01 -1.26 -2.26 120.40 121.85 1wk0 s VAL 78 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1wk0 s VAL 78 Cb -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1wk0 s VAL 78 CO -0.04 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.33 1wk0 n GLY 79 N 5.17 4.12 0.00 4.51 0.00 -1.20 -5.00 105.19 112.79 1wk0 n GLY 79 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1wk0 n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wk0 n GLU 80 N 0.00 3.03 -1.69 1.61 4.71 -1.26 -0.73 120.64 126.30 1wk0 n GLU 80 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1wk0 n GLU 80 Cb 0.00 -0.91 -0.01 0.00 -1.01 0.00 0.00 31.44 29.50 1wk0 n GLU 80 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wk0 n GLU 81 N -1.68 2.15 -0.00 3.49 1.02 -1.26 -4.69 120.64 119.66 1wk0 n GLU 81 Ca 0.00 0.76 -0.17 0.00 -0.02 0.00 0.00 57.16 57.72 1wk0 n GLU 81 Cb 0.36 -2.38 -0.10 0.00 -0.02 0.00 0.00 31.44 29.30 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wk0 h THR 82 N 2.80 1.38 -3.64 2.62 1.35 -1.94 -3.43 112.91 112.04 1wk0 h THR 82 Ca -0.46 -2.01 -0.62 0.00 -0.55 0.00 0.00 66.41 62.77 1wk0 h THR 82 Cb 1.28 2.42 -0.14 0.00 -1.73 0.00 0.00 68.15 69.97 1wk0 h THR 82 CO 0.69 0.60 -0.39 0.21 -0.25 0.00 0.00 175.52 176.37 1wk0 s ASN 83 N -6.80 6.19 0.12 5.36 3.84 -1.26 -3.44 114.94 118.95 1wk0 s ASN 83 Ca -0.13 0.21 -0.04 0.00 0.21 0.00 0.00 52.86 53.11 1wk0 s ASN 83 Cb 0.05 -2.15 -0.03 0.00 -0.55 0.00 0.00 41.25 38.57 1wk0 s ASN 83 CO 0.84 -0.03 0.12 0.27 -2.79 0.00 0.00 177.10 175.51 1wk0 s ILE 84 N 1.42 0.11 -0.16 -5.21 -5.25 -0.70 -5.02 121.20 106.39 1wk0 s ILE 84 Ca 0.11 -1.67 -0.01 0.00 -0.99 0.00 0.00 60.65 58.09 1wk0 s ILE 84 Cb -0.15 -1.83 -0.01 0.00 2.95 0.00 0.00 42.46 43.42 1wk0 s ILE 84 CO 0.07 -0.52 -0.11 -0.89 -1.79 0.00 0.00 174.94 171.71 1wk0 s THR 85 N -3.99 3.11 0.56 8.37 2.01 -1.26 -0.90 115.64 123.54 1wk0 s THR 85 Ca 0.18 -0.62 -0.18 0.00 0.31 0.00 0.00 61.69 61.37 1wk0 s THR 85 Cb 0.06 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1wk0 s THR 85 CO -0.02 0.50 1.07 -0.76 -0.69 0.00 0.00 174.62 174.72 1wk0 s LEU 86 N 0.69 3.65 0.05 4.42 2.01 -0.62 -4.85 118.68 124.04 1wk0 s LEU 86 Ca -0.05 1.95 -0.16 0.00 0.01 0.00 0.00 54.13 55.88 1wk0 s LEU 86 Cb -0.15 -4.55 0.03 0.00 0.01 0.00 0.00 46.19 41.52 1wk0 s LEU 86 CO 0.02 -1.11 0.37 0.54 1.01 0.00 0.00 176.35 177.18 1wk0 s ASN 87 N -2.28 -0.22 -0.49 2.29 2.20 -1.26 -2.99 114.94 112.19 1wk0 s ASN 87 Ca 0.67 -0.09 -0.03 0.00 -0.94 0.00 0.00 52.86 52.47 1wk0 s ASN 87 Cb -0.18 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 39.47 1wk0 s ASN 87 CO 0.30 -0.66 0.34 -0.67 -2.94 0.00 0.00 177.10 173.47 1wk0 n ASP 88 N 0.49 -3.37 -4.93 3.54 2.03 -1.26 -5.01 116.55 108.03 1wk0 n ASP 88 Ca -0.18 -0.15 -0.22 0.00 0.52 0.00 0.00 54.79 54.75 1wk0 n ASP 88 Cb 0.60 -2.05 -0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wk0 s LEU 89 N -2.98 3.12 -0.23 -2.67 1.43 -1.25 -5.11 118.68 111.00 1wk0 s LEU 89 Ca 0.17 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.28 1wk0 s LEU 89 Cb -0.07 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1wk0 s LEU 89 CO 0.21 -0.96 0.09 -0.54 0.23 0.00 0.00 176.35 175.38 1wk0 s LYS 90 N -4.31 3.84 0.61 1.70 1.02 -1.26 -4.70 119.74 116.64 1wk0 s LYS 90 Ca 0.47 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.90 1wk0 s LYS 90 Cb -0.04 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1wk0 s LYS 90 CO 0.28 0.01 1.12 -1.25 -0.92 0.00 0.00 175.35 174.59 1wk0 s PRO 91 N 1.11 3.03 -1.22 -1.68 0.04 -1.25 -3.72 135.00 131.31 1wk0 s PRO 91 Ca 0.05 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 1wk0 s PRO 91 Cb -0.14 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1wk0 s PRO 91 CO 0.04 -1.09 1.06 0.00 0.04 0.00 0.00 177.00 177.04 1wk0 n ALA 92 N -1.96 -1.36 -2.70 8.56 0.00 -0.23 -4.87 120.51 117.95 1wk0 n ALA 92 Ca 0.11 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 1wk0 n ALA 92 Cb 0.52 -4.48 -0.11 0.00 0.00 0.00 0.00 19.45 15.38 1wk0 n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wk0 s MET 93 N -5.99 0.46 -0.14 0.00 0.00 -1.24 -4.97 119.30 107.41 1wk0 s MET 93 Ca 0.42 -0.82 0.00 0.00 0.00 0.00 0.00 55.69 55.28 1wk0 s MET 93 Cb -0.18 0.03 0.02 0.00 0.00 0.00 0.00 34.83 34.70 1wk0 s MET 93 CO 0.67 -0.04 -0.13 0.16 0.00 0.00 0.00 175.02 175.68 1wk0 s ASP 94 N -1.92 2.57 0.19 1.11 -4.77 -1.26 -1.62 116.67 110.97 1wk0 s ASP 94 Ca -0.08 -0.45 -0.02 0.00 -3.30 0.00 0.00 52.55 48.71 1wk0 s ASP 94 Cb -0.05 -1.11 -0.04 0.00 -1.09 0.00 0.00 42.92 40.64 1wk0 s ASP 94 CO -0.03 -0.07 0.14 -0.72 0.70 0.00 0.00 175.17 175.19 1wk0 s TYR 95 N 1.51 1.03 0.40 2.11 1.13 -1.25 -4.99 117.35 117.29 1wk0 s TYR 95 Ca 0.04 -1.30 0.01 0.00 -1.41 0.00 0.00 57.07 54.42 1wk0 s TYR 95 Cb -0.13 -0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 40.23 1wk0 s TYR 95 CO -0.10 -0.64 0.60 -1.01 -2.51 0.00 0.00 175.55 171.89 1wk0 s HIS 96 N -4.12 3.31 0.03 -3.49 3.76 -1.26 -2.14 115.29 111.38 1wk0 s HIS 96 Ca 0.34 0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 55.37 1wk0 s HIS 96 Cb 0.07 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.65 1wk0 s HIS 96 CO 0.09 -0.13 0.21 0.00 -0.85 0.00 0.00 174.74 174.07 1wk0 s ALA 97 N -2.41 -0.43 0.15 -1.40 0.00 0.02 -3.56 121.76 114.12 1wk0 s ALA 97 Ca 0.45 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 1wk0 s ALA 97 Cb -0.10 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1wk0 s ALA 97 CO 0.36 -0.34 0.31 0.15 0.00 0.00 0.00 175.76 176.24 1wk0 s LYS 98 N -2.34 1.11 -0.10 0.00 1.02 -0.55 -0.78 119.74 118.11 1wk0 s LYS 98 Ca -0.07 -1.04 -0.00 0.00 0.02 0.00 0.00 55.97 54.88 1wk0 s LYS 98 Cb -0.02 0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.71 1wk0 s LYS 98 CO -0.03 -0.41 -0.07 0.54 -0.92 0.00 0.00 175.35 174.46 1wk0 s VAL 99 N -3.92 0.95 -0.16 3.17 0.11 -1.25 -1.23 120.40 118.06 1wk0 s VAL 99 Ca 0.12 -0.27 -0.05 0.00 -2.93 0.00 0.00 61.98 58.85 1wk0 s VAL 99 Cb 0.03 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1wk0 s VAL 99 CO -0.04 0.35 -0.00 -1.58 -3.33 0.00 0.00 175.10 170.50 1wk0 s GLN 100 N 1.52 3.77 -0.16 1.54 0.74 -0.26 -2.96 119.66 123.86 1wk0 s GLN 100 Ca 0.01 -0.45 -0.14 0.00 0.05 0.00 0.00 55.36 54.83 1wk0 s GLN 100 Cb -0.13 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.92 1wk0 s GLN 100 CO -0.06 0.27 0.29 0.00 -0.55 0.00 0.00 175.29 175.24 1wk0 s ALA 101 N 0.32 3.61 -0.05 1.58 0.00 -1.24 -0.41 121.76 125.57 1wk0 s ALA 101 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1wk0 s ALA 101 Cb -0.13 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1wk0 s ALA 101 CO 0.02 0.12 -0.06 -2.00 0.00 0.00 0.00 175.76 173.84 1wk0 s GLU 102 N 0.37 1.00 -0.09 0.00 -6.30 0.48 -3.71 118.70 110.46 1wk0 s GLU 102 Ca 0.16 -0.16 -0.05 0.00 -2.50 0.00 0.00 54.97 52.42 1wk0 s GLU 102 Cb -0.13 -0.96 0.04 0.00 0.00 0.00 0.00 34.13 33.08 1wk0 s GLU 102 CO 0.04 -0.07 0.21 -0.47 0.02 0.00 0.00 175.26 174.99 1wk0 s TYR 103 N 0.89 -0.26 -1.38 5.30 6.14 -1.15 -0.17 117.35 126.73 1wk0 s TYR 103 Ca -0.11 0.63 -0.03 0.00 0.64 0.00 0.00 57.07 58.20 1wk0 s TYR 103 Cb -0.15 0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.27 1wk0 s TYR 103 CO 0.01 -0.18 0.46 -1.71 0.64 0.00 0.00 175.55 174.77 1wk0 n ASN 104 N 3.79 -5.50 -1.77 4.32 2.85 -1.26 -1.73 115.26 115.97 1wk0 n ASN 104 Ca -0.21 -0.22 -0.16 0.00 -0.11 0.00 0.00 54.58 53.88 1wk0 n ASN 104 Cb 0.55 -4.36 -0.01 0.00 1.24 0.00 0.00 39.78 37.19 1wk0 n ASN 104 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wk0 n SER 105 N -1.87 -4.75 -4.14 1.20 2.88 -1.26 -4.98 113.62 100.70 1wk0 n SER 105 Ca -0.11 0.01 -0.35 0.00 -1.33 0.00 0.00 58.87 57.09 1wk0 n SER 105 Cb 0.61 -3.86 -0.13 0.00 -0.75 0.00 0.00 64.21 60.08 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wk0 s ILE 106 N -2.78 2.93 -0.26 2.46 1.01 -0.70 -5.08 121.20 118.77 1wk0 s ILE 106 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 60.65 58.85 1wk0 s ILE 106 Cb 0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1wk0 s ILE 106 CO 0.00 -0.27 0.48 -0.54 0.00 0.00 0.00 174.94 174.61 1wk0 s LYS 107 N 1.19 4.05 0.00 2.79 1.02 -1.26 -2.93 119.74 124.59 1wk0 s LYS 107 Ca -0.01 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1wk0 s LYS 107 Cb -0.20 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 1wk0 s LYS 107 CO -0.03 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 1wk0 n GLY 108 N 4.47 0.55 2.89 -3.33 0.00 -1.24 -5.01 105.19 103.53 1wk0 n GLY 108 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1wk0 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wk0 s THR 109 N 2.06 0.21 0.51 2.61 2.01 -1.26 -5.01 115.64 116.76 1wk0 s THR 109 Ca 0.00 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 1wk0 s THR 109 Cb 0.00 -0.21 -0.06 0.00 0.01 0.00 0.00 72.50 72.23 1wk0 s THR 109 CO 0.00 0.08 1.14 -2.16 -0.69 0.00 0.00 174.62 172.99 1wk0 s PRO 110 N 0.18 3.51 0.98 4.92 0.04 -1.26 -4.53 135.00 138.84 1wk0 s PRO 110 Ca -0.02 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 1wk0 s PRO 110 Cb -0.04 -2.16 0.24 0.00 0.04 0.00 0.00 34.50 32.58 1wk0 s PRO 110 CO -0.00 -0.73 0.86 -1.13 0.04 0.00 0.00 177.00 176.03 1wk0 n SER 111 N -0.99 -1.93 -3.28 6.66 3.41 -1.15 -4.96 113.62 111.38 1wk0 n SER 111 Ca 0.10 -1.02 -0.13 0.00 -0.26 0.00 0.00 58.87 57.56 1wk0 n SER 111 Cb 0.50 -0.79 0.13 0.00 -0.26 0.00 0.00 64.21 63.78 1wk0 n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wk0 n GLU 112 N -4.17 -1.75 -4.13 4.33 1.02 -1.26 -4.70 120.64 109.98 1wk0 n GLU 112 Ca 0.12 -0.62 -0.36 0.00 -0.02 0.00 0.00 57.16 56.28 1wk0 n GLU 112 Cb 0.46 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wk0 s ALA 113 N -2.05 3.52 -0.23 0.62 0.00 -1.26 -4.58 121.76 117.77 1wk0 s ALA 113 Ca 0.28 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1wk0 s ALA 113 Cb -0.05 -1.74 0.05 0.00 0.00 0.00 0.00 23.12 21.38 1wk0 s ALA 113 CO 0.24 0.52 -0.10 -2.00 0.00 0.00 0.00 175.76 174.41 1wk0 s GLU 114 N -0.68 2.11 -0.18 0.00 -6.30 0.04 -4.87 118.70 108.82 1wk0 s GLU 114 Ca 0.12 -1.08 -0.20 0.00 -2.50 0.00 0.00 54.97 51.31 1wk0 s GLU 114 Cb -0.12 -2.66 -0.03 0.00 0.00 0.00 0.00 34.13 31.32 1wk0 s GLU 114 CO 0.02 -0.50 0.58 -1.50 0.02 0.00 0.00 175.26 173.88 1wk0 s ILE 115 N 1.27 5.07 -0.09 -3.70 2.07 -1.26 -0.80 121.20 123.75 1wk0 s ILE 115 Ca -0.05 1.10 -0.01 0.00 -1.41 0.00 0.00 60.65 60.28 1wk0 s ILE 115 Cb -0.18 -3.90 0.03 0.00 0.13 0.00 0.00 42.46 38.53 1wk0 s ILE 115 CO -0.07 0.16 -0.03 0.72 -1.91 0.00 0.00 174.94 173.81 1wk0 s PHE 116 N 1.64 1.05 -0.06 3.50 -0.12 -0.91 -4.98 117.98 118.09 1wk0 s PHE 116 Ca 0.27 -0.44 -0.24 0.00 -0.05 0.00 0.00 56.93 56.47 1wk0 s PHE 116 Cb -0.16 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.19 1wk0 s PHE 116 CO 0.11 -0.42 0.71 0.99 -0.05 0.00 0.00 175.22 176.55 1wk0 s THR 117 N 1.85 5.04 0.28 -4.49 2.01 -1.26 -3.96 115.64 115.11 1wk0 s THR 117 Ca 0.05 1.46 -0.05 0.00 0.31 0.00 0.00 61.69 63.46 1wk0 s THR 117 Cb -0.13 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1wk0 s THR 117 CO -0.07 0.25 0.55 0.42 -0.69 0.00 0.00 174.62 175.08 1wk0 s THR 118 N 0.80 5.02 0.95 -0.82 -4.23 -0.64 -4.95 115.64 111.78 1wk0 s THR 118 Ca 0.38 0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.82 1wk0 s THR 118 Cb -0.18 -3.72 0.18 0.00 1.34 0.00 0.00 72.50 70.12 1wk0 s THR 118 CO 0.18 -0.29 1.25 -1.48 -0.54 0.00 0.00 174.62 173.74 1wk0 s LEU 119 N -3.47 2.36 0.28 4.79 2.34 -1.22 -2.30 118.68 121.46 1wk0 s LEU 119 Ca 0.44 0.50 -0.11 0.00 0.06 0.00 0.00 54.13 55.02 1wk0 s LEU 119 Cb -0.11 -2.63 -0.08 0.00 -0.56 0.00 0.00 46.19 42.81 1wk0 s LEU 119 CO 0.29 -2.69 0.63 -0.94 -1.06 0.00 0.00 176.35 172.58 1wk0 s SER 120 N -4.61 6.66 0.36 1.48 1.04 -1.26 -1.07 113.70 116.29 1wk0 s SER 120 Ca 0.70 1.05 0.24 0.00 0.48 0.00 0.00 55.95 58.42 1wk0 s SER 120 Cb -0.07 -2.28 1.27 0.00 0.10 0.00 0.00 66.02 65.04 1wk0 s SER 120 CO 0.52 -0.15 1.40 0.00 0.98 0.00 0.00 173.24 175.99 1wk0 s GLU 122 N -5.21 3.45 -0.62 0.00 2.02 -1.26 -4.97 118.70 112.11 1wk0 s GLU 122 Ca -0.07 0.12 -0.26 0.00 0.02 0.00 0.00 54.97 54.78 1wk0 s GLU 122 Cb 0.29 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1wk0 s GLU 122 CO 0.71 -0.25 1.87 -1.25 0.02 0.00 0.00 175.26 176.37 1wk0 s PRO 123 N -4.74 2.62 0.00 0.39 0.04 -1.26 -4.75 135.00 127.30 1wk0 s PRO 123 Ca 0.48 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1wk0 s PRO 123 Cb -0.10 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1wk0 s PRO 123 CO 0.44 -2.76 0.00 -0.25 0.04 0.00 0.00 177.00 174.47 1wk0 n ASP 124 N 12.83 0.00 -4.71 6.66 9.92 -1.26 -5.01 116.55 134.97 1wk0 n ASP 124 Ca 0.21 0.00 -0.60 0.00 -0.53 0.00 0.00 54.79 53.87 1wk0 n ASP 124 Cb 0.52 -0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.82 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1wk0 n ILE 125 N -2.41 0.20 -2.04 0.53 2.08 -1.26 -4.80 119.36 111.66 1wk0 n ILE 125 Ca 0.00 -0.04 -0.31 0.00 0.56 0.00 0.00 62.75 62.97 1wk0 n ILE 125 Cb 0.00 -0.98 -0.04 0.00 -0.75 0.00 0.00 39.64 37.87 1wk0 n ILE 125 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wk0 s PRO 126 N 3.15 2.58 -0.56 0.38 0.04 -1.26 -4.91 135.00 134.41 1wk0 s PRO 126 Ca 0.99 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1wk0 s PRO 126 Cb -1.18 -4.83 0.15 0.00 0.04 0.00 0.00 34.50 28.68 1wk0 s PRO 126 CO 0.69 -3.15 0.36 -0.80 0.04 0.00 0.00 177.00 174.13 1wk0 s ASN 127 N 8.06 5.04 0.51 6.66 0.01 -1.26 -5.09 114.94 128.87 1wk0 s ASN 127 Ca 0.69 -2.75 -0.21 0.00 -0.71 0.00 0.00 52.86 49.88 1wk0 s ASN 127 Cb -0.09 -1.80 -0.06 0.00 0.41 0.00 0.00 41.25 39.71 1wk0 s ASN 127 CO 0.07 -0.37 1.14 -2.16 -1.51 0.00 0.00 177.10 174.28 1wk0 s PRO 128 N 0.09 3.52 -0.22 -0.60 0.04 -1.26 -4.96 135.00 131.61 1wk0 s PRO 128 Ca 0.16 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1wk0 s PRO 128 Cb -0.22 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1wk0 s PRO 128 CO -0.03 -0.73 1.61 -1.25 0.04 0.00 0.00 177.00 176.64 1wk0 s PRO 129 N -3.04 3.80 -0.32 0.56 0.04 -1.26 -4.97 135.00 129.80 1wk0 s PRO 129 Ca 0.69 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 1wk0 s PRO 129 Cb -0.26 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.26 1wk0 s PRO 129 CO 0.30 -1.29 0.94 1.03 0.04 0.00 0.00 177.00 178.02 1wk0 s ARG 130 N 4.66 3.98 -0.48 4.56 0.52 -1.26 -4.93 118.95 126.01 1wk0 s ARG 130 Ca 0.71 0.80 0.03 0.00 -0.52 0.00 0.00 55.73 56.75 1wk0 s ARG 130 Cb -0.25 -3.75 0.45 0.00 0.52 0.00 0.00 34.95 31.92 1wk0 s ARG 130 CO 0.29 -0.83 1.55 0.44 0.02 0.00 0.00 175.30 176.77 1wk0 n ILE 131 N 5.76 2.99 -4.23 1.52 -5.35 -1.26 -4.96 119.36 113.84 1wk0 n ILE 131 Ca 0.08 -3.80 -0.32 0.00 -0.27 0.00 0.00 62.75 58.44 1wk0 n ILE 131 Cb 0.48 -1.16 -0.16 0.00 -1.74 0.00 0.00 39.64 37.05 1wk0 n ILE 131 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1wk0 s SER 132 N -2.79 2.98 0.00 7.28 0.01 -1.26 -5.10 113.70 114.82 1wk0 s SER 132 Ca 0.56 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1wk0 s SER 132 Cb 0.45 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 65.30 1wk0 s SER 132 CO -0.02 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1wk0 n GLY 133 N 4.52 3.61 3.75 3.44 0.00 -1.26 -5.17 105.19 114.09 1wk0 n GLY 133 Ca -0.20 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1wk0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wk0 s PRO 134 N -0.70 1.90 -0.16 1.61 0.04 -1.26 -5.08 135.00 131.35 1wk0 s PRO 134 Ca 0.00 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.95 1wk0 s PRO 134 Cb 0.00 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.72 1wk0 s PRO 134 CO 0.00 -1.86 0.42 0.45 0.04 0.00 0.00 177.00 176.05 1wk0 s SER 135 N -3.40 -0.46 -0.28 6.66 0.15 -1.26 -5.15 113.70 109.97 1wk0 s SER 135 Ca 0.62 0.86 -0.05 0.00 0.70 0.00 0.00 55.95 58.09 1wk0 s SER 135 Cb -0.17 0.84 0.15 0.00 -1.71 0.00 0.00 66.02 65.13 1wk0 s SER 135 CO 0.56 -0.16 0.55 -0.55 1.20 0.00 0.00 173.24 174.84 1wk0 s SER 136 N 0.50 -0.86 0.00 5.45 0.15 -1.26 -5.37 113.70 112.31 1wk0 s SER 136 Ca -0.02 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1wk0 s SER 136 Cb -0.04 1.90 0.00 0.00 -1.71 0.00 0.00 66.02 66.16 1wk0 s SER 136 CO -0.03 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.77