#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 n SER 2 N 0.00 3.62 -4.04 1.61 7.64 -1.26 -4.97 113.62 116.22 1wk0 n SER 2 Ca 0.00 0.98 -0.27 0.00 1.01 0.00 0.00 58.87 60.59 1wk0 n SER 2 Cb 0.00 -1.44 -0.17 0.00 -1.01 0.00 0.00 64.21 61.60 1wk0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wk0 s SER 3 N 3.40 2.14 -0.71 6.43 0.15 -1.26 -4.88 113.70 118.97 1wk0 s SER 3 Ca 0.88 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 1wk0 s SER 3 Cb -0.61 -0.96 0.01 0.00 -1.71 0.00 0.00 66.02 62.75 1wk0 s SER 3 CO 0.45 0.02 0.66 0.61 1.20 0.00 0.00 173.24 176.19 1wk0 n GLY 4 N 4.04 -1.20 0.19 9.45 0.00 -1.26 -4.92 105.19 111.49 1wk0 n GLY 4 Ca -0.20 0.63 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 1wk0 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wk0 h SER 5 N 0.54 0.58 -4.31 1.61 0.02 -2.02 -3.44 113.55 106.53 1wk0 h SER 5 Ca -0.18 -0.32 -0.45 0.00 -0.84 0.00 0.00 61.79 59.99 1wk0 h SER 5 Cb 1.11 -0.16 -0.25 0.00 0.14 0.00 0.00 62.40 63.25 1wk0 h SER 5 CO 0.30 0.76 -0.80 -0.94 -1.14 0.00 0.00 176.83 175.01 1wk0 s SER 6 N -6.11 1.71 0.00 3.07 1.04 -1.26 -5.08 113.70 107.06 1wk0 s SER 6 Ca -0.13 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1wk0 s SER 6 Cb 0.09 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1wk0 s SER 6 CO 0.77 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.66 1wk0 n GLY 7 N 1.97 2.53 0.19 7.32 0.00 -1.26 -5.01 105.19 110.93 1wk0 n GLY 7 Ca -0.18 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1wk0 n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wk0 h ASP 8 N 0.00 0.55 -1.60 1.61 3.32 -2.00 -2.71 116.42 115.60 1wk0 h ASP 8 Ca 0.00 -0.26 0.46 0.00 0.02 0.00 0.00 57.03 57.26 1wk0 h ASP 8 Cb 0.00 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1wk0 h ASP 8 CO 0.00 0.67 1.16 1.05 -1.72 0.00 0.00 179.24 180.40 1wk0 h GLU 9 N 0.41 0.00 0.09 3.56 9.09 -1.99 1.21 114.58 126.95 1wk0 h GLU 9 Ca 0.11 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.24 1wk0 h GLU 9 Cb 0.35 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.47 1wk0 h GLU 9 CO 0.01 0.00 -1.17 0.93 0.05 0.00 0.00 179.01 178.83 1wk0 h GLU 10 N 0.00 0.52 -0.30 1.06 5.08 -1.87 -3.11 114.58 115.95 1wk0 h GLU 10 Ca 0.76 -0.68 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1wk0 h GLU 10 Cb 3.08 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 32.54 1wk0 h GLU 10 CO -0.01 1.29 0.03 1.15 -1.00 0.00 0.00 179.01 180.47 1wk0 h THR 11 N 0.24 1.24 0.35 1.13 2.02 0.14 -2.86 112.91 115.17 1wk0 h THR 11 Ca -0.15 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1wk0 h THR 11 Cb 1.84 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 1wk0 h THR 11 CO 0.21 0.28 -0.32 0.11 0.37 0.00 0.00 175.52 176.17 1wk0 h LYS 12 N 0.33 -0.66 -0.83 6.66 1.57 -1.34 0.18 116.57 122.46 1wk0 h LYS 12 Ca 0.09 0.05 0.24 0.00 -1.87 0.00 0.00 60.65 59.16 1wk0 h LYS 12 Cb 0.38 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1wk0 h LYS 12 CO 0.01 -0.44 0.63 0.00 -0.57 0.00 0.00 179.45 179.08 1wk0 h ALA 13 N -0.18 2.75 0.19 3.86 0.00 -1.55 0.20 119.26 124.53 1wk0 h ALA 13 Ca -0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1wk0 h ALA 13 Cb 0.62 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1wk0 h ALA 13 CO -0.05 -1.06 -1.36 0.74 0.00 0.00 0.00 179.25 177.52 1wk0 h PHE 14 N 0.00 0.78 0.00 0.00 0.04 -1.03 -0.55 116.94 116.18 1wk0 h PHE 14 Ca 0.40 -0.56 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 1wk0 h PHE 14 Cb 1.66 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.77 1wk0 h PHE 14 CO 0.00 1.43 -0.14 0.93 -0.60 0.00 0.00 178.31 179.93 1wk0 h GLU 15 N 0.13 0.00 0.04 1.51 5.08 0.13 0.27 114.58 121.73 1wk0 h GLU 15 Ca -0.20 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.83 1wk0 h GLU 15 Cb 2.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.28 1wk0 h GLU 15 CO 0.24 0.14 -1.87 0.00 -1.00 0.00 0.00 179.01 176.53 1wk0 n ALA 16 N -2.41 0.97 0.02 3.43 0.00 -0.75 -3.77 120.51 118.00 1wk0 n ALA 16 Ca -0.02 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 1wk0 n ALA 16 Cb 0.23 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.57 -0.03 -1.85 0.00 5.85 -1.04 -2.79 115.31 114.88 1wk0 h LEU 17 Ca -0.47 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.09 1wk0 h LEU 17 Cb 1.65 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 1wk0 h LEU 17 CO -0.15 0.23 0.29 -0.07 -0.34 0.00 0.00 178.44 178.40 1wk0 h LEU 18 N -0.29 0.15 -3.23 2.25 3.38 -0.67 0.12 115.31 117.02 1wk0 h LEU 18 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1wk0 h LEU 18 Cb 0.27 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.87 1wk0 h LEU 18 CO 0.01 0.09 0.27 -0.24 0.09 0.00 0.00 178.44 178.66 1wk0 n SER 19 N -4.46 4.01 -2.20 -0.43 2.88 -1.07 -4.23 113.62 108.12 1wk0 n SER 19 Ca 0.06 -2.97 -0.21 0.00 -1.33 0.00 0.00 58.87 54.42 1wk0 n SER 19 Cb 0.37 -0.70 0.02 0.00 -0.75 0.00 0.00 64.21 63.15 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wk0 n ASN 20 N -0.18 4.35 -3.41 -3.46 5.15 0.40 -4.93 115.26 113.17 1wk0 n ASN 20 Ca 0.34 -3.48 -0.10 0.00 -0.60 0.00 0.00 54.58 50.74 1wk0 n ASN 20 Cb 1.19 -0.38 0.03 0.00 -0.53 0.00 0.00 39.78 40.09 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1wk0 n ILE 21 N -0.65 0.00 -5.22 -1.44 -0.00 -1.26 -2.46 119.36 108.33 1wk0 n ILE 21 Ca 0.37 -0.97 -0.31 0.00 -0.00 0.00 0.00 62.75 61.85 1wk0 n ILE 21 Cb 0.91 -0.65 -0.16 0.00 -0.00 0.00 0.00 39.64 39.74 1wk0 n ILE 21 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1wk0 s VAL 22 N -0.88 1.99 0.33 7.28 1.01 -1.21 -4.97 120.40 123.95 1wk0 s VAL 22 Ca 0.26 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 1wk0 s VAL 22 Cb -0.02 -1.68 -0.13 0.00 0.00 0.00 0.00 36.38 34.55 1wk0 s VAL 22 CO 0.17 0.55 0.98 2.29 0.00 0.00 0.00 175.10 179.09 1wk0 n LYS 23 N 2.95 1.32 -1.60 2.72 2.85 -1.26 -4.04 118.16 121.09 1wk0 n LYS 23 Ca -0.17 0.46 -0.32 0.00 -1.05 0.00 0.00 58.31 57.23 1wk0 n LYS 23 Cb 0.52 -1.87 0.06 0.00 -0.65 0.00 0.00 35.03 33.09 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 -1.66 2.63 -0.15 -1.58 0.04 -1.26 -4.69 135.00 128.34 1wk0 s PRO 24 Ca 0.60 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1wk0 s PRO 24 Cb -0.66 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1wk0 s PRO 24 CO 0.59 -1.37 -0.20 0.08 0.04 0.00 0.00 177.00 176.15 1wk0 s VAL 25 N -2.52 1.92 -0.15 -0.36 1.01 -0.11 -4.74 120.40 115.45 1wk0 s VAL 25 Ca 0.65 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1wk0 s VAL 25 Cb -0.19 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1wk0 s VAL 25 CO 0.46 0.52 1.10 0.00 0.00 0.00 0.00 175.10 177.18 1wk0 s ALA 26 N 1.04 3.57 0.29 5.51 0.00 -1.26 -1.86 121.76 129.05 1wk0 s ALA 26 Ca -0.02 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1wk0 s ALA 26 Cb -0.14 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 1wk0 s ALA 26 CO -0.06 -0.89 0.07 -1.54 0.00 0.00 0.00 175.76 173.34 1wk0 s SER 27 N 1.36 1.81 -0.51 0.00 1.04 0.31 -4.79 113.70 112.93 1wk0 s SER 27 Ca 0.49 -1.38 -0.06 0.00 0.48 0.00 0.00 55.95 55.48 1wk0 s SER 27 Cb -0.19 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.03 1wk0 s SER 27 CO 0.14 -0.66 0.16 -0.67 0.98 0.00 0.00 173.24 173.19 1wk0 n ASP 28 N -0.58 -1.01 -4.62 7.02 2.03 -1.26 -1.48 116.55 116.65 1wk0 n ASP 28 Ca -0.01 -0.08 -0.50 0.00 0.52 0.00 0.00 54.79 54.72 1wk0 n ASP 28 Cb 0.66 -0.95 -0.05 0.00 -0.72 0.00 0.00 41.12 40.06 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1wk0 n ILE 29 N -2.42 0.01 -4.34 5.18 5.41 -1.26 -4.37 119.36 117.57 1wk0 n ILE 29 Ca 0.03 -0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.61 1wk0 n ILE 29 Cb 0.38 -1.06 -0.03 0.00 -0.71 0.00 0.00 39.64 38.21 1wk0 n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wk0 n GLN 30 N 2.88 1.34 0.00 0.38 6.02 0.23 -4.76 117.38 123.47 1wk0 n GLN 30 Ca 0.18 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 1wk0 n GLN 30 Cb 0.22 0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.97 1wk0 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk0 n ALA 31 N -2.18 0.00 -0.01 -1.58 0.00 -1.26 -3.51 120.51 111.97 1wk0 n ALA 31 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wk0 n ALA 31 Cb 0.33 0.45 -0.04 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.67 1.55 -3.52 0.00 1.74 -1.26 -3.92 116.66 108.58 1wk0 n ARG 32 Ca 0.00 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1wk0 n ARG 32 Cb 0.00 -1.14 -0.04 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.28 5.07 0.10 0.55 -4.23 -1.26 -3.89 115.64 109.71 1wk0 s THR 33 Ca -0.02 0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.44 1wk0 s THR 33 Cb 0.03 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.24 1wk0 s THR 33 CO 0.23 -0.11 0.40 0.68 -0.54 0.00 0.00 174.62 175.29 1wk0 s VAL 34 N -1.83 0.07 -0.48 2.29 -7.23 -1.18 0.77 120.40 112.81 1wk0 s VAL 34 Ca 0.43 -0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 59.94 1wk0 s VAL 34 Cb -0.11 -1.11 0.11 0.00 0.56 0.00 0.00 36.38 35.82 1wk0 s VAL 34 CO 0.25 -0.30 0.38 -0.69 -0.31 0.00 0.00 175.10 174.44 1wk0 s VAL 35 N -3.44 4.67 -0.32 1.32 1.01 -0.55 -1.42 120.40 121.67 1wk0 s VAL 35 Ca 0.01 -1.51 -0.17 0.00 0.00 0.00 0.00 61.98 60.30 1wk0 s VAL 35 Cb 0.01 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1wk0 s VAL 35 CO -0.09 -0.72 0.45 -0.22 0.00 0.00 0.00 175.10 174.52 1wk0 s LEU 36 N 1.49 4.26 -0.17 3.92 2.96 -0.24 -0.53 118.68 130.38 1wk0 s LEU 36 Ca 0.04 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1wk0 s LEU 36 Cb -0.26 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 43.93 1wk0 s LEU 36 CO 0.02 -0.36 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.60 1wk0 s THR 37 N 2.24 2.12 0.18 3.68 2.01 -0.78 -1.76 115.64 123.33 1wk0 s THR 37 Ca 0.17 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.30 1wk0 s THR 37 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1wk0 s THR 37 CO 0.12 0.54 -0.13 -1.66 -0.69 0.00 0.00 174.62 172.79 1wk0 s TRP 38 N 1.14 1.55 0.03 4.92 -2.14 -1.25 -0.94 118.94 122.25 1wk0 s TRP 38 Ca 0.01 -0.62 -0.06 0.00 2.66 0.00 0.00 56.10 58.09 1wk0 s TRP 38 Cb -0.14 -0.75 -0.05 0.00 -3.10 0.00 0.00 33.47 29.44 1wk0 s TRP 38 CO -0.09 0.25 0.27 0.45 -2.66 0.00 0.00 176.95 175.18 1wk0 s SER 39 N -3.17 6.48 0.78 -2.66 0.15 -1.26 -4.69 113.70 109.33 1wk0 s SER 39 Ca 0.19 0.53 -0.11 0.00 0.70 0.00 0.00 55.95 57.27 1wk0 s SER 39 Cb -0.00 -2.07 0.06 0.00 -1.71 0.00 0.00 66.02 62.29 1wk0 s SER 39 CO 0.05 0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.64 1wk0 s PRO 40 N -1.95 2.18 0.61 5.44 0.04 -1.26 -3.30 135.00 136.75 1wk0 s PRO 40 Ca 0.30 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 1wk0 s PRO 40 Cb -0.13 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wk0 s PRO 40 CO 0.18 -1.69 1.12 -1.25 0.04 0.00 0.00 177.00 175.40 1wk0 s PRO 41 N -4.91 3.05 -0.20 0.56 0.04 -1.26 -4.62 135.00 127.66 1wk0 s PRO 41 Ca 0.61 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 1wk0 s PRO 41 Cb -0.17 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1wk0 s PRO 41 CO 0.56 -1.07 -0.03 -1.12 0.04 0.00 0.00 177.00 175.38 1wk0 s SER 42 N -2.23 4.55 0.20 6.66 0.01 -1.03 -4.97 113.70 116.90 1wk0 s SER 42 Ca 0.69 -0.29 -0.31 0.00 1.31 0.00 0.00 55.95 57.36 1wk0 s SER 42 Cb -0.22 -1.77 -0.10 0.00 0.21 0.00 0.00 66.02 64.14 1wk0 s SER 42 CO 0.35 0.04 1.48 -0.94 0.41 0.00 0.00 173.24 174.58 1wk0 s SER 43 N 1.14 6.66 -0.20 2.44 1.04 -1.26 -4.88 113.70 118.63 1wk0 s SER 43 Ca 0.02 2.59 0.16 0.00 0.48 0.00 0.00 55.95 59.20 1wk0 s SER 43 Cb -0.15 -2.61 0.64 0.00 0.10 0.00 0.00 66.02 64.00 1wk0 s SER 43 CO 0.00 -0.74 1.54 0.18 0.98 0.00 0.00 173.24 175.21 1wk0 n LEU 44 N 3.20 4.56 0.00 2.42 4.77 -1.26 -4.50 117.00 126.19 1wk0 n LEU 44 Ca 0.10 -3.00 0.10 0.00 -0.03 0.00 0.00 56.01 53.18 1wk0 n LEU 44 Cb 0.40 -0.60 0.59 0.00 -2.33 0.00 0.00 43.42 41.48 1wk0 n LEU 44 CO 0.60 0.67 0.81 -0.38 -1.33 0.00 0.00 177.39 177.76 1wk0 n ILE 45 N -0.13 0.11 -1.78 -0.08 5.41 -1.26 -4.84 119.36 116.79 1wk0 n ILE 45 Ca 0.24 0.03 -0.10 0.00 1.00 0.00 0.00 62.75 63.92 1wk0 n ILE 45 Cb 1.01 -0.70 -0.02 0.00 -0.71 0.00 0.00 39.64 39.22 1wk0 n ILE 45 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1wk0 n ASN 46 N -1.08 -3.73 0.00 4.38 5.15 -1.26 -2.41 115.26 116.31 1wk0 n ASN 46 Ca 0.14 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1wk0 n ASN 46 Cb 0.10 -2.60 0.00 0.00 -0.53 0.00 0.00 39.78 36.75 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wk0 n GLY 47 N -1.35 2.36 0.42 8.20 0.00 -1.26 -4.83 105.19 108.74 1wk0 n GLY 47 Ca -0.11 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.12 1wk0 n GLY 47 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wk0 h GLU 48 N 1.80 0.00 -6.77 1.61 3.07 -1.88 -3.40 114.58 109.00 1wk0 h GLU 48 Ca 0.00 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.37 1wk0 h GLU 48 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1wk0 h GLU 48 CO 0.00 0.00 0.11 -0.08 -1.40 0.00 0.00 179.01 177.64 1wk0 s THR 49 N -4.50 4.71 0.05 1.13 -1.32 -1.26 -5.02 115.64 109.43 1wk0 s THR 49 Ca -0.04 0.86 -0.31 0.00 -1.21 0.00 0.00 61.69 61.00 1wk0 s THR 49 Cb 0.14 -3.64 -0.07 0.00 -1.51 0.00 0.00 72.50 67.41 1wk0 s THR 49 CO 0.48 -0.29 1.48 -1.81 -2.21 0.00 0.00 174.62 172.27 1wk0 s ASP 50 N -2.53 6.76 0.30 8.08 1.11 -1.26 -4.89 116.67 124.23 1wk0 s ASP 50 Ca 0.53 2.29 0.02 0.00 0.18 0.00 0.00 52.55 55.57 1wk0 s ASP 50 Cb -0.10 -2.57 0.74 0.00 1.07 0.00 0.00 42.92 42.06 1wk0 s ASP 50 CO 0.21 -0.76 1.60 -0.08 1.18 0.00 0.00 175.17 177.32 1wk0 h GLU 51 N 7.70 0.06 -1.23 8.23 4.22 -1.95 1.30 114.58 132.91 1wk0 h GLU 51 Ca -0.40 -0.00 -0.12 0.00 0.08 0.00 0.00 59.36 58.92 1wk0 h GLU 51 Cb 1.19 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1wk0 h GLU 51 CO 0.90 0.04 0.15 -1.13 -2.18 0.00 0.00 179.01 176.79 1wk0 n SER 52 N -5.40 3.92 -0.00 1.04 3.41 -1.26 -4.09 113.62 111.24 1wk0 n SER 52 Ca 0.23 -2.43 -0.01 0.00 -0.26 0.00 0.00 58.87 56.39 1wk0 n SER 52 Cb 0.74 -0.72 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wk0 n SER 53 N 0.40 0.50 -4.68 4.04 2.88 0.45 -5.00 113.62 112.20 1wk0 n SER 53 Ca 0.13 0.07 -0.56 0.00 -1.33 0.00 0.00 58.87 57.18 1wk0 n SER 53 Cb 0.68 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wk0 n VAL 54 N -2.97 0.26 -1.27 2.46 0.24 -1.24 -4.92 118.33 110.89 1wk0 n VAL 54 Ca -0.02 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.34 61.93 1wk0 n VAL 54 Cb 0.07 -1.19 0.09 0.00 -1.47 0.00 0.00 33.84 31.34 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 2.91 2.26 -0.04 7.34 0.04 -1.26 -4.99 135.00 141.26 1wk0 s PRO 55 Ca 0.95 1.17 0.06 0.00 0.04 0.00 0.00 61.00 63.23 1wk0 s PRO 55 Cb -1.01 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 31.73 1wk0 s PRO 55 CO 0.60 -1.64 0.97 -0.85 0.04 0.00 0.00 177.00 176.13 1wk0 n GLU 56 N -3.50 1.55 -0.85 4.56 0.28 -1.26 -4.69 120.64 116.73 1wk0 n GLU 56 Ca 0.09 -1.64 0.03 0.00 -0.16 0.00 0.00 57.16 55.47 1wk0 n GLU 56 Cb 0.53 -1.02 0.33 0.00 1.43 0.00 0.00 31.44 32.71 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 -0.67 5.42 -4.65 -1.84 7.99 -1.26 -4.96 117.00 117.03 1wk0 n LEU 57 Ca 0.05 -3.09 -0.62 0.00 -0.01 0.00 0.00 56.01 52.34 1wk0 n LEU 57 Cb 0.48 -0.68 -0.09 0.00 -0.11 0.00 0.00 43.42 43.03 1wk0 n LEU 57 CO 0.00 0.73 0.95 -1.22 -1.51 0.00 0.00 177.39 176.34 1wk0 n TYR 58 N 0.05 1.39 -2.44 -1.77 4.01 -1.26 -4.69 117.16 112.45 1wk0 n TYR 58 Ca 0.31 1.01 -0.42 0.00 -0.16 0.00 0.00 57.90 58.64 1wk0 n TYR 58 Cb 1.20 -2.22 -0.03 0.00 -0.31 0.00 0.00 39.34 37.98 1wk0 n TYR 58 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1wk0 s GLY 59 N 1.83 0.95 -0.12 2.72 0.00 -0.10 -4.37 107.32 108.24 1wk0 s GLY 59 Ca 0.98 -0.71 -0.13 0.00 0.00 0.00 0.00 44.72 44.86 1wk0 s GLY 59 CO 0.69 2.73 0.29 -0.19 0.00 0.00 0.00 173.10 176.61 1wk0 s TYR 60 N 5.77 3.54 -0.10 1.90 2.02 -0.07 -1.11 117.35 129.31 1wk0 s TYR 60 Ca 0.50 0.66 0.02 0.00 -0.37 0.00 0.00 57.07 57.89 1wk0 s TYR 60 Cb -0.10 -2.25 0.01 0.00 -0.40 0.00 0.00 41.96 39.22 1wk0 s TYR 60 CO 0.25 0.42 -0.16 -2.00 -1.57 0.00 0.00 175.55 172.48 1wk0 s GLU 61 N -0.14 2.27 -0.28 -0.62 2.12 -0.17 -2.62 118.70 119.27 1wk0 s GLU 61 Ca 0.18 -0.59 -0.22 0.00 0.36 0.00 0.00 54.97 54.69 1wk0 s GLU 61 Cb -0.14 -1.86 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 1wk0 s GLU 61 CO 0.06 0.00 0.72 0.08 -0.54 0.00 0.00 175.26 175.58 1wk0 s VAL 62 N 0.78 4.89 -0.24 3.70 1.01 -1.12 -1.60 120.40 127.82 1wk0 s VAL 62 Ca -0.11 1.19 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 1wk0 s VAL 62 Cb -0.16 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1wk0 s VAL 62 CO 0.02 -0.10 0.02 -0.76 0.00 0.00 0.00 175.10 174.28 1wk0 s LEU 63 N 2.73 3.24 0.02 3.92 1.43 -0.76 -2.74 118.68 126.52 1wk0 s LEU 63 Ca 0.30 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1wk0 s LEU 63 Cb -0.15 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1wk0 s LEU 63 CO 0.10 -0.04 -0.17 0.27 0.23 0.00 0.00 176.35 176.74 1wk0 s ILE 64 N 1.55 2.86 -0.55 -0.59 -4.36 -1.02 -1.64 121.20 117.46 1wk0 s ILE 64 Ca 0.06 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.43 1wk0 s ILE 64 Cb -0.15 -2.18 0.15 0.00 1.25 0.00 0.00 42.46 41.53 1wk0 s ILE 64 CO 0.01 0.41 0.36 -0.94 0.24 0.00 0.00 174.94 175.01 1wk0 s SER 65 N -1.25 3.87 0.46 4.36 1.04 -1.15 -1.95 113.70 119.08 1wk0 s SER 65 Ca 0.14 -3.25 0.20 0.00 0.48 0.00 0.00 55.95 53.52 1wk0 s SER 65 Cb -0.11 -1.28 1.08 0.00 0.10 0.00 0.00 66.02 65.81 1wk0 s SER 65 CO 0.04 -0.17 1.55 0.77 0.98 0.00 0.00 173.24 176.41 1wk0 h SER 66 N 5.99 0.00 -2.28 7.02 4.64 -1.89 -2.16 113.55 124.88 1wk0 h SER 66 Ca 0.08 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.72 1wk0 h SER 66 Cb 0.85 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.58 1wk0 h SER 66 CO 0.59 0.00 0.06 0.35 -0.87 0.00 0.00 176.83 176.96 1wk0 n THR 67 N -2.39 4.33 -1.43 2.95 -2.24 -1.26 -4.89 114.28 109.35 1wk0 n THR 67 Ca -0.01 -5.75 0.17 0.00 -2.27 0.00 0.00 64.05 56.19 1wk0 n THR 67 Cb 0.34 -1.49 -0.08 0.00 -2.10 0.00 0.00 70.33 67.00 1wk0 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wk0 n GLY 68 N -0.13 -2.99 0.34 3.38 0.00 -0.81 -3.45 105.19 101.54 1wk0 n GLY 68 Ca 0.37 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.45 1wk0 n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wk0 h LYS 69 N -1.43 0.74 -2.01 1.61 1.57 -1.97 -2.74 116.57 112.35 1wk0 h LYS 69 Ca -0.16 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.29 1wk0 h LYS 69 Cb 1.35 -0.17 -0.10 0.00 0.08 0.00 0.00 32.23 33.39 1wk0 h LYS 69 CO 0.07 0.49 -0.11 -0.25 -0.57 0.00 0.00 179.45 179.08 1wk0 n ASP 70 N -4.46 5.66 0.00 0.86 8.00 -1.26 -4.81 116.55 120.54 1wk0 n ASP 70 Ca 0.08 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.87 1wk0 n ASP 70 Cb 0.14 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wk0 n GLY 71 N 2.01 5.40 3.68 0.44 0.00 -1.04 -5.08 105.19 110.60 1wk0 n GLY 71 Ca 0.45 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 1.70 4.17 0.10 1.61 2.20 -1.26 -5.07 119.74 123.19 1wk0 s LYS 72 Ca 0.00 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.55 1wk0 s LYS 72 Cb 0.00 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1wk0 s LYS 72 CO 0.00 0.05 0.46 0.71 -0.36 0.00 0.00 175.35 176.21 1wk0 s TYR 73 N 1.06 3.61 0.04 4.03 1.51 -1.26 -4.51 117.35 121.83 1wk0 s TYR 73 Ca 0.16 0.92 0.05 0.00 -1.01 0.00 0.00 57.07 57.19 1wk0 s TYR 73 Cb -0.14 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.43 1wk0 s TYR 73 CO 0.06 0.50 -0.13 0.21 -1.11 0.00 0.00 175.55 175.08 1wk0 s LYS 74 N -1.83 0.85 -0.10 -0.62 2.20 -0.82 -4.93 119.74 114.48 1wk0 s LYS 74 Ca 0.34 -0.78 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 1wk0 s LYS 74 Cb -0.15 -0.84 -0.03 0.00 -1.51 0.00 0.00 37.83 35.30 1wk0 s LYS 74 CO 0.18 0.20 0.72 -1.54 -0.36 0.00 0.00 175.35 174.55 1wk0 s SER 75 N -1.26 6.94 -0.12 1.43 1.04 -1.26 -2.42 113.70 118.04 1wk0 s SER 75 Ca -0.00 1.14 0.02 0.00 0.48 0.00 0.00 55.95 57.58 1wk0 s SER 75 Cb -0.08 -2.41 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 1wk0 s SER 75 CO 0.01 -0.19 -0.09 1.33 0.98 0.00 0.00 173.24 175.28 1wk0 n VAL 76 N 4.09 0.72 -4.15 5.02 0.24 -1.11 -5.05 118.33 118.09 1wk0 n VAL 76 Ca -0.00 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.85 1wk0 n VAL 76 Cb 0.51 -0.92 -0.11 0.00 -1.47 0.00 0.00 33.84 31.84 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 -2.25 1.03 -0.27 6.34 5.04 -1.26 -4.92 117.35 121.06 1wk0 s TYR 77 Ca -0.16 -0.58 -0.02 0.00 -2.44 0.00 0.00 57.07 53.88 1wk0 s TYR 77 Cb 0.04 -0.57 0.16 0.00 0.35 0.00 0.00 41.96 41.94 1wk0 s TYR 77 CO 0.31 -0.00 0.49 0.08 -1.34 0.00 0.00 175.55 175.08 1wk0 s VAL 78 N -1.95 -0.80 0.00 3.14 1.01 -1.26 -2.79 120.40 117.75 1wk0 s VAL 78 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1wk0 s VAL 78 Cb -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1wk0 s VAL 78 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1wk0 n GLY 79 N 5.40 1.68 0.12 4.51 0.00 -1.08 -5.01 105.19 110.82 1wk0 n GLY 79 Ca -0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 0.65 -1.43 1.61 4.71 -1.26 -0.89 120.64 124.03 1wk0 n GLU 80 Ca 0.00 0.12 -0.41 0.00 -0.01 0.00 0.00 57.16 56.86 1wk0 n GLU 80 Cb 0.00 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 28.94 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 -3.16 0.48 -0.07 3.49 4.71 -1.26 -4.77 120.64 120.06 1wk0 n GLU 81 Ca -0.43 0.18 -0.08 0.00 -0.01 0.00 0.00 57.16 56.82 1wk0 n GLU 81 Cb 0.99 -1.46 -0.06 0.00 -1.01 0.00 0.00 31.44 29.90 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1wk0 h THR 82 N 0.65 0.77 -3.52 2.62 1.35 -1.94 -3.45 112.91 109.39 1wk0 h THR 82 Ca -0.41 -1.63 -0.62 0.00 -0.55 0.00 0.00 66.41 63.20 1wk0 h THR 82 Cb 1.41 1.51 -0.12 0.00 -1.73 0.00 0.00 68.15 69.21 1wk0 h THR 82 CO 0.50 0.26 0.16 0.21 -0.25 0.00 0.00 175.52 176.40 1wk0 s ASN 83 N -5.97 6.52 0.20 5.36 3.84 -1.26 -3.96 114.94 119.66 1wk0 s ASN 83 Ca -0.12 0.49 0.02 0.00 0.21 0.00 0.00 52.86 53.45 1wk0 s ASN 83 Cb -0.00 -2.33 -0.05 0.00 -0.55 0.00 0.00 41.25 38.32 1wk0 s ASN 83 CO 0.35 -0.46 0.02 0.27 -2.79 0.00 0.00 177.10 174.49 1wk0 s ILE 84 N 2.60 0.67 -0.18 -5.21 -5.25 -0.72 -5.01 121.20 108.10 1wk0 s ILE 84 Ca 0.26 -1.99 -0.02 0.00 -0.99 0.00 0.00 60.65 57.90 1wk0 s ILE 84 Cb -0.15 -2.26 -0.01 0.00 2.95 0.00 0.00 42.46 42.99 1wk0 s ILE 84 CO 0.11 -0.35 -0.08 -0.89 -1.79 0.00 0.00 174.94 171.94 1wk0 s THR 85 N -3.67 3.27 0.48 8.37 2.01 -1.26 -1.08 115.64 123.77 1wk0 s THR 85 Ca 0.28 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.53 1wk0 s THR 85 Cb 0.06 -2.44 -0.09 0.00 0.01 0.00 0.00 72.50 70.04 1wk0 s THR 85 CO 0.07 0.47 0.99 -0.76 -0.69 0.00 0.00 174.62 174.70 1wk0 s LEU 86 N 0.97 3.80 0.18 4.42 1.43 -0.50 -4.88 118.68 124.08 1wk0 s LEU 86 Ca -0.01 1.73 -0.07 0.00 -1.03 0.00 0.00 54.13 54.75 1wk0 s LEU 86 Cb -0.15 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.52 1wk0 s LEU 86 CO -0.00 -0.60 0.26 0.20 0.23 0.00 0.00 176.35 176.43 1wk0 s ASN 87 N -2.41 0.08 -1.20 2.29 -0.87 -1.26 -3.08 114.94 108.48 1wk0 s ASN 87 Ca 0.63 -1.01 -0.05 0.00 -1.57 0.00 0.00 52.86 50.85 1wk0 s ASN 87 Cb -0.12 0.43 0.01 0.00 -0.02 0.00 0.00 41.25 41.55 1wk0 s ASN 87 CO 0.22 -0.90 0.70 0.47 -2.57 0.00 0.00 177.10 175.02 1wk0 n ASP 88 N -0.23 -5.43 -5.01 -1.22 9.92 -1.26 -5.01 116.55 108.30 1wk0 n ASP 88 Ca -0.05 -0.32 -0.18 0.00 -0.53 0.00 0.00 54.79 53.71 1wk0 n ASP 88 Cb 0.63 -4.16 0.03 0.00 -0.64 0.00 0.00 41.12 36.98 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wk0 s LEU 89 N -5.79 3.46 -0.29 0.64 1.43 -1.25 -5.09 118.68 111.78 1wk0 s LEU 89 Ca 0.35 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1wk0 s LEU 89 Cb -0.15 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1wk0 s LEU 89 CO 0.43 -0.96 0.15 -0.54 0.23 0.00 0.00 176.35 175.66 1wk0 s LYS 90 N -4.45 3.64 0.79 1.70 1.02 -1.26 -4.76 119.74 116.42 1wk0 s LYS 90 Ca 0.57 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 1wk0 s LYS 90 Cb -0.08 -3.55 0.07 0.00 -0.52 0.00 0.00 37.83 33.74 1wk0 s LYS 90 CO 0.35 -0.28 1.09 -1.25 -0.92 0.00 0.00 175.35 174.34 1wk0 s PRO 91 N 1.67 2.12 -1.37 -1.68 0.04 -1.25 -3.88 135.00 130.65 1wk0 s PRO 91 Ca 0.06 1.13 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1wk0 s PRO 91 Cb -0.16 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1wk0 s PRO 91 CO 0.07 -1.73 0.83 0.00 0.04 0.00 0.00 177.00 176.22 1wk0 n ALA 92 N -3.57 -1.77 -2.28 8.56 0.00 -0.18 -4.91 120.51 116.36 1wk0 n ALA 92 Ca 0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 1wk0 n ALA 92 Cb 0.53 -2.92 -0.09 0.00 0.00 0.00 0.00 19.45 16.98 1wk0 n ALA 92 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wk0 s MET 93 N -6.14 1.65 -0.21 0.00 -1.94 -1.23 -4.98 119.30 106.46 1wk0 s MET 93 Ca 0.22 -1.94 -0.04 0.00 -1.71 0.00 0.00 55.69 52.22 1wk0 s MET 93 Cb -0.11 0.27 0.10 0.00 2.01 0.00 0.00 34.83 37.11 1wk0 s MET 93 CO 0.81 -0.59 0.28 0.16 -0.01 0.00 0.00 175.02 175.67 1wk0 s ASP 94 N -3.34 0.86 0.23 3.03 -4.77 -1.26 -2.20 116.67 109.22 1wk0 s ASP 94 Ca 0.40 0.04 0.01 0.00 -3.30 0.00 0.00 52.55 49.69 1wk0 s ASP 94 Cb 0.03 0.67 -0.04 0.00 -1.09 0.00 0.00 42.92 42.49 1wk0 s ASP 94 CO 0.24 -0.31 0.14 -0.72 0.70 0.00 0.00 175.17 175.22 1wk0 s TYR 95 N 2.41 1.34 0.21 2.11 1.13 -1.26 -4.82 117.35 118.48 1wk0 s TYR 95 Ca 0.08 -1.36 0.01 0.00 -1.41 0.00 0.00 57.07 54.40 1wk0 s TYR 95 Cb -0.15 -0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 39.99 1wk0 s TYR 95 CO -0.13 -0.58 0.38 -1.01 -2.51 0.00 0.00 175.55 171.70 1wk0 s HIS 96 N -3.96 3.48 -0.02 -3.49 3.76 -1.26 -2.35 115.29 111.45 1wk0 s HIS 96 Ca 0.39 0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.51 1wk0 s HIS 96 Cb 0.07 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 32.01 1wk0 s HIS 96 CO 0.14 0.39 0.05 0.00 -0.85 0.00 0.00 174.74 174.47 1wk0 s ALA 97 N -1.91 -0.03 0.40 -1.40 0.00 0.13 -2.91 121.76 116.04 1wk0 s ALA 97 Ca 0.37 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1wk0 s ALA 97 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1wk0 s ALA 97 CO 0.30 -0.07 0.08 0.15 0.00 0.00 0.00 175.76 176.21 1wk0 s LYS 98 N 0.63 1.89 -0.05 0.00 1.02 -0.65 -0.28 119.74 122.30 1wk0 s LYS 98 Ca -0.05 -2.13 -0.02 0.00 0.02 0.00 0.00 55.97 53.79 1wk0 s LYS 98 Cb -0.07 -0.88 0.03 0.00 -0.52 0.00 0.00 37.83 36.39 1wk0 s LYS 98 CO -0.02 -0.35 0.07 0.54 -0.92 0.00 0.00 175.35 174.67 1wk0 s VAL 99 N -3.16 -0.12 -0.18 3.17 0.11 -1.26 -1.83 120.40 117.14 1wk0 s VAL 99 Ca 0.25 0.41 -0.05 0.00 -2.93 0.00 0.00 61.98 59.67 1wk0 s VAL 99 Cb 0.05 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 1wk0 s VAL 99 CO 0.13 0.17 -0.00 -1.58 -3.33 0.00 0.00 175.10 170.49 1wk0 s GLN 100 N 2.18 3.72 -0.14 1.54 0.74 -0.63 -1.65 119.66 125.43 1wk0 s GLN 100 Ca 0.05 -0.48 -0.07 0.00 0.05 0.00 0.00 55.36 54.91 1wk0 s GLN 100 Cb -0.12 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 1wk0 s GLN 100 CO -0.03 0.17 0.09 0.00 -0.55 0.00 0.00 175.29 174.97 1wk0 s ALA 101 N 0.58 3.62 -0.02 1.58 0.00 -1.25 -1.00 121.76 125.27 1wk0 s ALA 101 Ca -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1wk0 s ALA 101 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1wk0 s ALA 101 CO 0.02 0.44 0.09 -1.83 0.00 0.00 0.00 175.76 174.48 1wk0 s GLU 102 N -0.45 0.26 0.01 0.00 1.03 -0.27 -3.14 118.70 116.14 1wk0 s GLU 102 Ca 0.11 -0.15 -0.01 0.00 0.03 0.00 0.00 54.97 54.94 1wk0 s GLU 102 Cb -0.12 0.11 -0.01 0.00 -0.80 0.00 0.00 34.13 33.31 1wk0 s GLU 102 CO 0.02 -0.05 0.01 -0.47 -1.33 0.00 0.00 175.26 173.44 1wk0 s TYR 103 N -0.64 0.16 -1.09 4.83 5.04 -0.91 -0.92 117.35 123.82 1wk0 s TYR 103 Ca -0.07 -0.32 -0.04 0.00 -2.44 0.00 0.00 57.07 54.20 1wk0 s TYR 103 Cb -0.04 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.17 1wk0 s TYR 103 CO 0.00 -0.16 0.21 -1.71 -1.34 0.00 0.00 175.55 172.55 1wk0 n ASN 104 N 1.95 -3.70 -0.68 4.32 5.15 -1.26 0.75 115.26 121.79 1wk0 n ASN 104 Ca -0.21 -0.03 -0.06 0.00 -0.60 0.00 0.00 54.58 53.68 1wk0 n ASN 104 Cb 0.56 -3.12 -0.00 0.00 -0.53 0.00 0.00 39.78 36.69 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wk0 n SER 105 N -2.00 -2.53 -4.13 1.20 7.64 -1.26 -5.01 113.62 107.52 1wk0 n SER 105 Ca -0.08 0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.44 1wk0 n SER 105 Cb 0.58 -1.79 -0.12 0.00 -1.01 0.00 0.00 64.21 61.87 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wk0 s ILE 106 N -2.30 3.23 -0.33 0.44 1.01 0.23 -5.07 121.20 118.41 1wk0 s ILE 106 Ca 0.00 -1.89 -0.22 0.00 0.00 0.00 0.00 60.65 58.53 1wk0 s ILE 106 Cb 0.00 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1wk0 s ILE 106 CO 0.00 -0.55 0.74 -0.54 0.00 0.00 0.00 174.94 174.58 1wk0 s LYS 107 N 1.17 3.86 0.00 2.79 1.02 -1.26 -2.14 119.74 125.18 1wk0 s LYS 107 Ca 0.05 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1wk0 s LYS 107 Cb -0.22 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 1wk0 s LYS 107 CO -0.03 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 1wk0 n GLY 108 N 4.39 0.74 3.31 -3.33 0.00 -1.19 -5.02 105.19 104.10 1wk0 n GLY 108 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 1.49 2.22 0.21 2.61 2.01 -1.26 -4.99 115.64 117.92 1wk0 s THR 109 Ca 0.00 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 1wk0 s THR 109 Cb 0.00 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.62 1wk0 s THR 109 CO 0.00 0.57 1.30 -2.16 -0.69 0.00 0.00 174.62 173.64 1wk0 s PRO 110 N -0.34 4.40 0.73 4.92 0.04 -1.26 -4.57 135.00 138.91 1wk0 s PRO 110 Ca 0.02 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1wk0 s PRO 110 Cb -0.12 -3.19 0.17 0.00 0.04 0.00 0.00 34.50 31.40 1wk0 s PRO 110 CO 0.02 -0.23 0.39 -1.13 0.04 0.00 0.00 177.00 176.09 1wk0 n SER 111 N 2.49 -2.78 -3.09 6.66 3.41 -0.66 -4.89 113.62 114.77 1wk0 n SER 111 Ca 0.06 -0.39 -0.14 0.00 -0.26 0.00 0.00 58.87 58.13 1wk0 n SER 111 Cb 0.43 -0.51 0.14 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.79 -3.15 -3.77 4.33 -0.58 -1.26 -4.61 120.64 108.82 1wk0 n GLU 112 Ca 0.06 -0.71 -0.37 0.00 -0.42 0.00 0.00 57.16 55.72 1wk0 n GLU 112 Cb 0.27 -0.88 -0.13 0.00 -0.57 0.00 0.00 31.44 30.13 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wk0 s ALA 113 N -2.22 3.07 -0.33 0.62 0.00 -1.26 -4.25 121.76 117.38 1wk0 s ALA 113 Ca 0.32 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 1wk0 s ALA 113 Cb -0.05 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1wk0 s ALA 113 CO 0.26 -0.83 0.18 -2.00 0.00 0.00 0.00 175.76 173.37 1wk0 s GLU 114 N 1.52 3.23 0.16 0.00 -6.30 0.61 -4.77 118.70 113.15 1wk0 s GLU 114 Ca 0.03 -0.80 -0.17 0.00 -2.50 0.00 0.00 54.97 51.53 1wk0 s GLU 114 Cb -0.17 -3.65 -0.07 0.00 0.00 0.00 0.00 34.13 30.24 1wk0 s GLU 114 CO 0.02 -0.49 0.62 -1.50 0.02 0.00 0.00 175.26 173.93 1wk0 s ILE 115 N 1.62 4.72 -0.21 -3.70 2.07 -1.26 0.21 121.20 124.64 1wk0 s ILE 115 Ca 0.04 1.09 -0.09 0.00 -1.41 0.00 0.00 60.65 60.28 1wk0 s ILE 115 Cb -0.18 -3.82 0.09 0.00 0.13 0.00 0.00 42.46 38.68 1wk0 s ILE 115 CO 0.07 0.29 0.48 0.72 -1.91 0.00 0.00 174.94 174.60 1wk0 s PHE 116 N -1.41 -0.86 -0.06 3.50 -0.12 -0.99 -4.91 117.98 113.13 1wk0 s PHE 116 Ca 0.38 1.65 -0.26 0.00 -0.05 0.00 0.00 56.93 58.65 1wk0 s PHE 116 Cb -0.17 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1wk0 s PHE 116 CO 0.20 -0.48 0.79 0.99 -0.05 0.00 0.00 175.22 176.68 1wk0 s THR 117 N 2.20 4.98 -0.01 -4.49 2.01 -1.26 -4.05 115.64 115.02 1wk0 s THR 117 Ca -0.05 1.64 -0.10 0.00 0.31 0.00 0.00 61.69 63.49 1wk0 s THR 117 Cb -0.10 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1wk0 s THR 117 CO -0.15 0.20 0.31 0.42 -0.69 0.00 0.00 174.62 174.72 1wk0 s THR 118 N 1.00 5.22 1.07 -0.82 -4.23 -0.94 -4.94 115.64 112.00 1wk0 s THR 118 Ca 0.42 0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 61.22 1wk0 s THR 118 Cb -0.19 -3.59 0.23 0.00 1.34 0.00 0.00 72.50 70.29 1wk0 s THR 118 CO 0.20 0.48 1.15 -1.48 -0.54 0.00 0.00 174.62 174.44 1wk0 s LEU 119 N -1.40 1.45 0.38 4.79 2.34 -1.23 -1.01 118.68 124.00 1wk0 s LEU 119 Ca 0.24 0.70 -0.01 0.00 0.06 0.00 0.00 54.13 55.13 1wk0 s LEU 119 Cb -0.14 -2.67 -0.03 0.00 -0.56 0.00 0.00 46.19 42.79 1wk0 s LEU 119 CO 0.13 -3.43 0.61 -0.94 -1.06 0.00 0.00 176.35 171.66 1wk0 s SER 120 N -4.05 6.27 0.41 1.48 1.04 -1.26 -2.02 113.70 115.58 1wk0 s SER 120 Ca 0.69 0.57 0.27 0.00 0.48 0.00 0.00 55.95 57.96 1wk0 s SER 120 Cb -0.11 -2.08 1.41 0.00 0.10 0.00 0.00 66.02 65.34 1wk0 s SER 120 CO 0.55 -0.38 1.60 0.00 0.98 0.00 0.00 173.24 175.99 1wk0 s GLU 122 N -5.38 3.51 -1.11 0.00 -1.05 -1.26 -4.96 118.70 108.45 1wk0 s GLU 122 Ca -0.08 -0.37 -0.23 0.00 -0.15 0.00 0.00 54.97 54.14 1wk0 s GLU 122 Cb 0.32 -2.85 -0.08 0.00 -0.44 0.00 0.00 34.13 31.08 1wk0 s GLU 122 CO 0.81 0.41 1.94 -1.25 0.95 0.00 0.00 175.26 178.12 1wk0 s PRO 123 N -3.33 2.50 -0.24 -4.83 0.04 -1.26 -4.60 135.00 123.28 1wk0 s PRO 123 Ca 0.38 -0.93 -0.10 0.00 0.04 0.00 0.00 61.00 60.39 1wk0 s PRO 123 Cb -0.11 -5.19 -0.11 0.00 0.04 0.00 0.00 34.50 29.12 1wk0 s PRO 123 CO 0.29 -3.83 -0.29 -0.40 0.04 0.00 0.00 177.00 172.80 1wk0 n ASP 124 N 14.31 1.80 -0.21 6.66 5.75 -1.26 -4.63 116.55 138.97 1wk0 n ASP 124 Ca 0.44 0.22 -0.10 0.00 -0.01 0.00 0.00 54.79 55.34 1wk0 n ASP 124 Cb 0.47 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 39.84 1wk0 n ASP 124 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1wk0 h ILE 125 N -0.72 0.05 -0.94 2.12 1.08 -1.94 -3.42 117.51 113.74 1wk0 h ILE 125 Ca -0.60 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 1wk0 h ILE 125 Cb 1.58 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1wk0 h ILE 125 CO -0.32 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.33 1wk0 n PRO 126 N -5.39 0.08 -1.52 2.37 -0.04 -1.26 -4.95 135.00 124.30 1wk0 n PRO 126 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1wk0 n PRO 126 Cb 0.34 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.84 1wk0 n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wk0 n ASN 127 N -1.36 -0.38 -4.77 3.54 3.02 -1.26 -4.94 115.26 109.11 1wk0 n ASN 127 Ca 0.00 0.78 -0.32 0.00 -0.03 0.00 0.00 54.58 55.02 1wk0 n ASN 127 Cb 0.00 -1.24 0.08 0.00 -0.61 0.00 0.00 39.78 38.01 1wk0 n ASN 127 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wk0 s PRO 128 N -2.24 2.38 0.91 3.52 0.04 -1.26 -4.76 135.00 133.58 1wk0 s PRO 128 Ca 0.70 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1wk0 s PRO 128 Cb -0.45 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.31 1wk0 s PRO 128 CO 0.52 -1.55 1.09 -1.25 0.04 0.00 0.00 177.00 175.86 1wk0 s PRO 129 N -4.70 1.18 -1.26 0.56 0.04 -1.26 -3.87 135.00 125.69 1wk0 s PRO 129 Ca 0.63 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1wk0 s PRO 129 Cb -0.18 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1wk0 s PRO 129 CO 0.52 -2.28 0.17 0.54 0.04 0.00 0.00 177.00 176.00 1wk0 n ARG 130 N -3.91 -0.76 -2.62 4.56 5.12 -1.26 -4.80 116.66 112.99 1wk0 n ARG 130 Ca 0.07 0.05 -0.43 0.00 -1.93 0.00 0.00 57.85 55.61 1wk0 n ARG 130 Cb 0.55 -2.77 0.01 0.00 -1.16 0.00 0.00 32.46 29.09 1wk0 n ARG 130 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1wk0 n ILE 131 N -4.25 4.59 -3.54 0.55 0.13 -1.25 -4.91 119.36 110.69 1wk0 n ILE 131 Ca -0.23 -4.86 -0.07 0.00 -1.10 0.00 0.00 62.75 56.49 1wk0 n ILE 131 Cb 0.57 -2.31 -0.02 0.00 -0.84 0.00 0.00 39.64 37.03 1wk0 n ILE 131 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1wk0 s SER 132 N 0.49 -0.29 1.11 9.51 0.15 -1.26 -5.12 113.70 118.30 1wk0 s SER 132 Ca 0.37 0.03 -0.15 0.00 0.70 0.00 0.00 55.95 56.90 1wk0 s SER 132 Cb 0.06 0.30 0.17 0.00 -1.71 0.00 0.00 66.02 64.84 1wk0 s SER 132 CO 0.02 -0.47 0.50 0.61 1.20 0.00 0.00 173.24 175.10 1wk0 n GLY 133 N -0.11 -2.13 3.56 9.45 0.00 -1.26 -4.80 105.19 109.90 1wk0 n GLY 133 Ca -0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.90 2.56 0.12 1.61 0.04 -1.26 -4.82 135.00 129.35 1wk0 s PRO 134 Ca 0.61 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.30 1wk0 s PRO 134 Cb -0.19 -4.97 -0.06 0.00 0.04 0.00 0.00 34.50 29.32 1wk0 s PRO 134 CO 0.65 -3.29 1.75 0.77 0.04 0.00 0.00 177.00 176.93 1wk0 h SER 135 N 11.83 0.26 -3.95 6.66 0.02 -2.04 -3.44 113.55 122.90 1wk0 h SER 135 Ca 0.05 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1wk0 h SER 135 Cb 1.03 -0.07 -0.23 0.00 0.14 0.00 0.00 62.40 63.27 1wk0 h SER 135 CO 1.21 0.23 -0.12 -0.55 -1.14 0.00 0.00 176.83 176.46 1wk0 s SER 136 N -5.44 -0.53 0.00 3.07 0.15 -1.26 -5.32 113.70 104.37 1wk0 s SER 136 Ca -0.13 1.01 0.28 0.00 0.70 0.00 0.00 55.95 57.80 1wk0 s SER 136 Cb 0.08 1.02 0.99 0.00 -1.71 0.00 0.00 66.02 66.40 1wk0 s SER 136 CO 0.70 -0.18 1.71 0.61 1.20 0.00 0.00 173.24 177.27