#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 6.35 0.46 1.61 1.04 -1.26 -5.08 113.70 116.81 1wk0 s SER 2 Ca 0.00 0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.89 1wk0 s SER 2 Cb 0.00 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 1wk0 s SER 2 CO 0.00 0.34 0.16 -0.44 0.98 0.00 0.00 173.24 174.28 1wk0 s SER 3 N -1.45 4.33 0.00 7.02 0.01 -1.26 -5.11 113.70 117.24 1wk0 s SER 3 Ca 0.21 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1wk0 s SER 3 Cb -0.12 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1wk0 s SER 3 CO 0.11 -0.70 0.06 0.61 0.41 0.00 0.00 173.24 173.74 1wk0 n GLY 4 N -1.30 -2.31 3.54 3.44 0.00 -1.26 -4.13 105.19 103.16 1wk0 n GLY 4 Ca -0.05 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1wk0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wk0 s SER 5 N -2.13 6.86 0.50 1.61 0.15 -1.26 -4.99 113.70 114.45 1wk0 s SER 5 Ca 0.00 -2.47 -0.21 0.00 0.70 0.00 0.00 55.95 53.97 1wk0 s SER 5 Cb 0.00 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1wk0 s SER 5 CO 0.00 -1.08 1.10 -0.94 1.20 0.00 0.00 173.24 173.52 1wk0 s SER 6 N 3.89 6.06 0.04 5.45 1.04 -1.26 -4.85 113.70 124.08 1wk0 s SER 6 Ca 0.49 2.12 0.00 0.00 0.48 0.00 0.00 55.95 59.04 1wk0 s SER 6 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wk0 s SER 6 CO 0.03 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1wk0 n GLY 7 N 0.11 -1.93 0.12 7.32 0.00 -1.26 -4.99 105.19 104.56 1wk0 n GLY 7 Ca 0.10 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.57 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wk0 n ASP 8 N -2.15 1.51 -0.30 1.61 2.03 -1.26 -4.20 116.55 113.79 1wk0 n ASP 8 Ca 0.00 0.14 0.16 0.00 0.52 0.00 0.00 54.79 55.61 1wk0 n ASP 8 Cb 0.00 -0.32 0.31 0.00 -0.72 0.00 0.00 41.12 40.39 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wk0 n GLU 9 N -3.23 -0.07 -0.03 -0.67 4.71 -1.26 0.21 120.64 120.30 1wk0 n GLU 9 Ca -0.32 1.29 -0.12 0.00 -0.01 0.00 0.00 57.16 58.00 1wk0 n GLU 9 Cb 1.05 -2.11 0.01 0.00 -1.01 0.00 0.00 31.44 29.38 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wk0 h GLU 10 N 0.00 0.71 -0.51 3.49 4.39 -1.98 -3.03 114.58 117.64 1wk0 h GLU 10 Ca 0.57 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 1wk0 h GLU 10 Cb 1.26 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 1wk0 h GLU 10 CO -0.80 1.07 0.15 1.15 -1.16 0.00 0.00 179.01 179.43 1wk0 h THR 11 N 0.54 1.23 -0.66 1.13 2.02 0.23 -2.70 112.91 114.70 1wk0 h THR 11 Ca 0.01 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.43 1wk0 h THR 11 Cb 1.13 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1wk0 h THR 11 CO 0.11 0.29 0.40 0.11 0.37 0.00 0.00 175.52 176.81 1wk0 h LYS 12 N 0.71 0.76 -0.23 6.66 1.57 -0.51 -1.11 116.57 124.41 1wk0 h LYS 12 Ca 0.17 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1wk0 h LYS 12 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1wk0 h LYS 12 CO -0.00 0.50 0.07 0.00 -0.57 0.00 0.00 179.45 179.45 1wk0 h ALA 13 N 1.30 1.70 -0.08 3.86 0.00 -1.39 -2.19 119.26 122.46 1wk0 h ALA 13 Ca 0.27 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 1wk0 h ALA 13 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wk0 h ALA 13 CO -0.12 0.24 -0.80 0.74 0.00 0.00 0.00 179.25 179.31 1wk0 h PHE 14 N 0.32 0.73 0.00 0.00 0.04 -0.96 0.22 116.94 117.30 1wk0 h PHE 14 Ca 0.08 -0.34 -0.04 0.00 2.80 0.00 0.00 57.97 60.46 1wk0 h PHE 14 Cb 0.11 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1wk0 h PHE 14 CO 0.00 1.14 -0.21 0.93 -0.60 0.00 0.00 178.31 179.57 1wk0 h GLU 15 N 0.35 0.00 0.08 1.51 5.08 -0.63 0.16 114.58 121.13 1wk0 h GLU 15 Ca -0.05 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.94 1wk0 h GLU 15 Cb 1.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 1wk0 h GLU 15 CO 0.15 0.21 -2.11 0.00 -1.00 0.00 0.00 179.01 176.26 1wk0 n ALA 16 N -2.48 1.04 0.20 3.43 0.00 -0.99 -3.96 120.51 117.75 1wk0 n ALA 16 Ca -0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 1wk0 n ALA 16 Cb 0.28 -0.50 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.01 -0.45 -1.92 0.00 5.85 -0.48 -2.89 115.31 115.41 1wk0 h LEU 17 Ca -0.47 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1wk0 h LEU 17 Cb 1.96 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 1wk0 h LEU 17 CO 0.02 -0.06 0.39 -0.07 -0.34 0.00 0.00 178.44 178.38 1wk0 h LEU 18 N -0.93 0.00 -3.64 2.25 3.38 -0.88 0.54 115.31 116.02 1wk0 h LEU 18 Ca -0.05 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 1wk0 h LEU 18 Cb 0.55 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.11 1wk0 h LEU 18 CO 0.09 0.00 0.25 -1.20 0.09 0.00 0.00 178.44 177.67 1wk0 n SER 19 N -3.07 3.13 -0.38 -0.43 7.64 -1.11 -4.03 113.62 115.38 1wk0 n SER 19 Ca 0.00 -3.68 0.07 0.00 1.01 0.00 0.00 58.87 56.28 1wk0 n SER 19 Cb 0.46 -0.73 0.15 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.09 1.88 -4.92 6.43 2.85 0.19 -4.90 115.26 115.71 1wk0 n ASN 20 Ca 0.45 -3.29 -0.23 0.00 -0.11 0.00 0.00 54.58 51.40 1wk0 n ASN 20 Cb 1.33 -0.45 0.06 0.00 1.24 0.00 0.00 39.78 41.95 1wk0 n ASN 20 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1wk0 s ILE 21 N -2.70 2.47 -0.03 -1.44 -0.00 -1.26 -2.34 121.20 115.90 1wk0 s ILE 21 Ca 0.32 -0.51 -0.01 0.00 -0.00 0.00 0.00 60.65 60.45 1wk0 s ILE 21 Cb 0.30 -2.95 -0.04 0.00 -0.00 0.00 0.00 42.46 39.77 1wk0 s ILE 21 CO -0.02 0.00 0.06 -0.69 -0.00 0.00 0.00 174.94 174.28 1wk0 s VAL 22 N -2.98 4.62 0.36 8.37 1.01 -1.25 -4.85 120.40 125.67 1wk0 s VAL 22 Ca 0.59 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 1wk0 s VAL 22 Cb -0.10 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.11 1wk0 s VAL 22 CO 0.41 0.44 1.17 2.29 0.00 0.00 0.00 175.10 179.42 1wk0 n LYS 23 N 1.51 1.79 -2.23 2.72 2.85 -1.26 -4.40 118.16 119.13 1wk0 n LYS 23 Ca -0.15 0.63 -0.41 0.00 -1.05 0.00 0.00 58.31 57.33 1wk0 n LYS 23 Cb 0.53 -2.18 -0.03 0.00 -0.65 0.00 0.00 35.03 32.70 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 -1.89 4.41 -0.20 -1.58 0.04 -1.26 -4.81 135.00 129.72 1wk0 s PRO 24 Ca 0.58 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 1wk0 s PRO 24 Cb -0.58 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.74 1wk0 s PRO 24 CO 0.60 -0.18 0.22 0.08 0.04 0.00 0.00 177.00 177.76 1wk0 s VAL 25 N -0.29 5.34 -0.19 -0.36 1.01 -0.12 -4.78 120.40 121.02 1wk0 s VAL 25 Ca 0.54 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.63 1wk0 s VAL 25 Cb -0.36 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1wk0 s VAL 25 CO 0.41 0.38 0.79 0.00 0.00 0.00 0.00 175.10 176.69 1wk0 s ALA 26 N 0.65 3.55 0.27 5.51 0.00 -1.26 -1.94 121.76 128.54 1wk0 s ALA 26 Ca 0.12 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1wk0 s ALA 26 Cb -0.13 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 1wk0 s ALA 26 CO 0.02 -0.70 0.03 -1.54 0.00 0.00 0.00 175.76 173.58 1wk0 s SER 27 N 1.21 1.93 -0.31 0.00 1.04 0.11 -4.78 113.70 112.90 1wk0 s SER 27 Ca 0.36 -1.29 -0.04 0.00 0.48 0.00 0.00 55.95 55.46 1wk0 s SER 27 Cb -0.16 -0.00 0.04 0.00 0.10 0.00 0.00 66.02 65.99 1wk0 s SER 27 CO 0.11 -0.57 0.09 -0.67 0.98 0.00 0.00 173.24 173.18 1wk0 n ASP 28 N -0.52 -1.21 -4.61 7.02 2.03 -1.26 -0.62 116.55 117.39 1wk0 n ASP 28 Ca -0.03 0.23 -0.49 0.00 0.52 0.00 0.00 54.79 55.02 1wk0 n ASP 28 Cb 0.65 -1.15 -0.04 0.00 -0.72 0.00 0.00 41.12 39.85 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 -2.76 0.50 -4.57 5.18 5.41 -1.26 -4.33 119.36 117.53 1wk0 n ILE 29 Ca 0.01 -0.13 -0.28 0.00 1.00 0.00 0.00 62.75 63.36 1wk0 n ILE 29 Cb 0.50 -1.04 -0.07 0.00 -0.71 0.00 0.00 39.64 38.31 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 2.27 0.61 0.00 0.38 6.02 0.31 -4.72 117.38 122.26 1wk0 n GLN 30 Ca 0.16 -3.60 0.00 0.00 -0.01 0.00 0.00 57.00 53.55 1wk0 n GLN 30 Cb 0.25 1.73 0.00 0.00 1.02 0.00 0.00 30.24 33.23 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 -1.09 0.00 -0.01 -1.58 0.00 -1.26 -3.80 120.51 112.77 1wk0 n ALA 31 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1wk0 n ALA 31 Cb 0.63 0.32 -0.04 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.31 1.23 -3.54 0.00 1.74 -1.26 -3.59 116.66 108.93 1wk0 n ARG 32 Ca 0.00 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 1wk0 n ARG 32 Cb 0.00 -1.13 -0.05 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 -2.29 5.06 0.16 0.55 -4.23 -1.25 -3.51 115.64 110.15 1wk0 s THR 33 Ca -0.02 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.48 1wk0 s THR 33 Cb 0.03 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.28 1wk0 s THR 33 CO 0.22 -0.05 0.53 0.68 -0.54 0.00 0.00 174.62 175.45 1wk0 s VAL 34 N -1.77 0.03 -0.42 2.29 -7.23 -1.16 0.11 120.40 112.26 1wk0 s VAL 34 Ca 0.44 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.10 1wk0 s VAL 34 Cb -0.12 -1.23 0.07 0.00 0.56 0.00 0.00 36.38 35.66 1wk0 s VAL 34 CO 0.24 -0.13 0.27 -0.69 -0.31 0.00 0.00 175.10 174.48 1wk0 s VAL 35 N -3.80 4.46 -0.38 1.32 1.01 0.21 -0.88 120.40 122.34 1wk0 s VAL 35 Ca 0.04 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.65 1wk0 s VAL 35 Cb -0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1wk0 s VAL 35 CO -0.09 -0.45 0.27 -0.22 0.00 0.00 0.00 175.10 174.60 1wk0 s LEU 36 N 1.49 4.83 -0.13 3.92 2.96 0.70 0.06 118.68 132.50 1wk0 s LEU 36 Ca 0.03 -0.68 0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1wk0 s LEU 36 Cb -0.22 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1wk0 s LEU 36 CO 0.04 -0.35 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.62 1wk0 s THR 37 N 1.70 2.18 0.06 3.68 2.01 -0.82 -1.27 115.64 123.17 1wk0 s THR 37 Ca 0.05 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1wk0 s THR 37 Cb -0.18 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1wk0 s THR 37 CO 0.10 0.55 -0.06 -1.66 -0.69 0.00 0.00 174.62 172.86 1wk0 s TRP 38 N 0.62 0.65 0.24 4.92 -2.14 -1.23 -0.94 118.94 121.06 1wk0 s TRP 38 Ca -0.11 -0.69 0.01 0.00 2.66 0.00 0.00 56.10 57.97 1wk0 s TRP 38 Cb -0.16 -0.40 -0.04 0.00 -3.10 0.00 0.00 33.47 29.77 1wk0 s TRP 38 CO 0.03 -0.15 0.41 -1.12 -2.66 0.00 0.00 176.95 173.46 1wk0 s SER 39 N -2.12 6.35 0.90 -2.66 0.01 -1.26 -4.61 113.70 110.31 1wk0 s SER 39 Ca -0.03 0.32 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 1wk0 s SER 39 Cb -0.04 -1.98 0.13 0.00 0.21 0.00 0.00 66.02 64.35 1wk0 s SER 39 CO -0.02 -0.10 1.09 -2.16 0.41 0.00 0.00 173.24 172.46 1wk0 s PRO 40 N -3.69 1.22 0.57 12.44 0.04 -1.26 -3.88 135.00 140.44 1wk0 s PRO 40 Ca 0.38 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.03 1wk0 s PRO 40 Cb -0.10 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wk0 s PRO 40 CO 0.31 -2.26 1.13 -1.25 0.04 0.00 0.00 177.00 174.96 1wk0 s PRO 41 N -4.94 3.24 -0.32 0.56 0.04 -1.26 -4.55 135.00 127.77 1wk0 s PRO 41 Ca 0.63 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1wk0 s PRO 41 Cb -0.18 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1wk0 s PRO 41 CO 0.57 -0.93 0.49 -1.12 0.04 0.00 0.00 177.00 176.05 1wk0 s SER 42 N -1.94 6.33 -0.16 6.66 0.01 -0.99 -4.92 113.70 118.69 1wk0 s SER 42 Ca 0.72 0.13 -0.29 0.00 1.31 0.00 0.00 55.95 57.81 1wk0 s SER 42 Cb -0.23 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1wk0 s SER 42 CO 0.30 -0.39 1.48 -0.94 0.41 0.00 0.00 173.24 174.10 1wk0 s SER 43 N 1.70 6.68 -0.08 2.44 1.04 -1.26 -4.86 113.70 119.35 1wk0 s SER 43 Ca 0.18 1.80 0.07 0.00 0.48 0.00 0.00 55.95 58.48 1wk0 s SER 43 Cb -0.16 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.77 1wk0 s SER 43 CO 0.12 -0.97 1.07 0.18 0.98 0.00 0.00 173.24 174.61 1wk0 n LEU 44 N 7.35 2.79 0.02 2.42 4.77 -1.26 -4.20 117.00 128.88 1wk0 n LEU 44 Ca 0.16 -1.41 0.03 0.00 -0.03 0.00 0.00 56.01 54.76 1wk0 n LEU 44 Cb 0.44 -0.52 0.14 0.00 -2.33 0.00 0.00 43.42 41.16 1wk0 n LEU 44 CO 0.61 0.41 0.59 -0.38 -1.33 0.00 0.00 177.39 177.29 1wk0 n ILE 45 N 0.29 1.66 -1.92 -0.08 2.08 -1.26 -4.81 119.36 115.33 1wk0 n ILE 45 Ca 0.12 0.46 -0.14 0.00 0.56 0.00 0.00 62.75 63.75 1wk0 n ILE 45 Cb 0.59 -1.40 -0.03 0.00 -0.75 0.00 0.00 39.64 38.04 1wk0 n ILE 45 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1wk0 n ASN 46 N -1.59 -4.42 0.00 4.38 3.02 -1.26 -2.04 115.26 113.35 1wk0 n ASN 46 Ca 0.01 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1wk0 n ASN 46 Cb 0.05 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wk0 n GLY 47 N -1.12 0.78 0.45 7.41 0.00 -1.26 -4.81 105.19 106.64 1wk0 n GLY 47 Ca -0.15 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.11 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 1.41 0.00 -6.23 1.61 5.08 -1.81 -3.40 114.58 111.25 1wk0 h GLU 48 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1wk0 h GLU 48 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1wk0 h GLU 48 CO 0.00 0.00 -0.69 -0.08 -1.00 0.00 0.00 179.01 177.24 1wk0 s THR 49 N -4.54 3.09 0.02 1.13 -1.32 -1.26 -4.81 115.64 107.95 1wk0 s THR 49 Ca -0.04 -2.07 -0.37 0.00 -1.21 0.00 0.00 61.69 58.01 1wk0 s THR 49 Cb 0.15 -2.64 -0.16 0.00 -1.51 0.00 0.00 72.50 68.34 1wk0 s THR 49 CO 0.52 -0.36 1.47 0.47 -2.21 0.00 0.00 174.62 174.50 1wk0 n ASP 50 N -0.73 2.03 -0.32 8.08 8.00 -1.26 -4.83 116.55 127.51 1wk0 n ASP 50 Ca -0.06 1.10 0.11 0.00 0.71 0.00 0.00 54.79 56.64 1wk0 n ASP 50 Cb 0.59 -1.22 0.28 0.00 -0.02 0.00 0.00 41.12 40.75 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 5.40 0.63 -1.22 -1.24 5.08 -1.98 0.22 114.58 121.47 1wk0 h GLU 51 Ca -0.47 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 1wk0 h GLU 51 Cb 1.32 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 1wk0 h GLU 51 CO 0.83 0.41 0.17 0.43 -1.00 0.00 0.00 179.01 179.86 1wk0 n SER 52 N -4.86 3.96 -0.12 1.42 7.64 -1.26 -3.81 113.62 116.60 1wk0 n SER 52 Ca 0.21 -2.48 -0.18 0.00 1.01 0.00 0.00 58.87 57.42 1wk0 n SER 52 Cb 0.53 -0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 62.90 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wk0 n SER 53 N 0.34 2.11 -4.73 6.43 2.88 0.77 -4.96 113.62 116.46 1wk0 n SER 53 Ca 0.14 -0.05 -0.42 0.00 -1.33 0.00 0.00 58.87 57.21 1wk0 n SER 53 Cb 0.71 -0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 1wk0 n SER 53 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1wk0 s VAL 54 N -2.47 2.44 0.93 2.46 -7.23 -1.25 -4.99 120.40 110.30 1wk0 s VAL 54 Ca -0.32 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 60.07 1wk0 s VAL 54 Cb 0.09 -3.22 0.15 0.00 0.56 0.00 0.00 36.38 33.96 1wk0 s VAL 54 CO 0.52 0.04 1.09 -2.16 -0.31 0.00 0.00 175.10 174.29 1wk0 s PRO 55 N 0.29 0.96 -0.02 4.82 0.04 -1.26 -5.00 135.00 134.82 1wk0 s PRO 55 Ca 0.66 0.72 0.04 0.00 0.04 0.00 0.00 61.00 62.45 1wk0 s PRO 55 Cb -0.45 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.37 1wk0 s PRO 55 CO 0.39 -2.42 0.87 -0.85 0.04 0.00 0.00 177.00 175.03 1wk0 n GLU 56 N -3.99 0.87 -0.90 4.56 0.28 -1.26 -4.75 120.64 115.44 1wk0 n GLU 56 Ca 0.06 -1.25 -0.01 0.00 -0.16 0.00 0.00 57.16 55.80 1wk0 n GLU 56 Cb 0.56 -0.80 0.31 0.00 1.43 0.00 0.00 31.44 32.95 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 -0.38 5.58 -4.51 -1.84 7.99 -1.26 -4.88 117.00 117.70 1wk0 n LEU 57 Ca 0.03 -3.17 -0.43 0.00 -0.01 0.00 0.00 56.01 52.43 1wk0 n LEU 57 Cb 0.53 -0.70 -0.06 0.00 -0.11 0.00 0.00 43.42 43.08 1wk0 n LEU 57 CO 0.00 0.78 1.97 -1.22 -1.51 0.00 0.00 177.39 177.41 1wk0 n TYR 58 N -0.12 1.40 -1.52 -1.77 4.01 -1.26 -4.74 117.16 113.16 1wk0 n TYR 58 Ca 0.35 0.19 -0.43 0.00 -0.16 0.00 0.00 57.90 57.85 1wk0 n TYR 58 Cb 1.26 -2.57 -0.06 0.00 -0.31 0.00 0.00 39.34 37.66 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 6.25 0.36 3.72 2.72 0.00 -0.17 -4.63 105.19 113.43 1wk0 n GLY 59 Ca 0.43 0.83 -0.37 0.00 0.00 0.00 0.00 46.02 46.90 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 9.56 3.48 -0.11 1.61 2.02 -0.01 -0.62 117.35 133.27 1wk0 s TYR 60 Ca 1.07 0.77 0.03 0.00 -0.37 0.00 0.00 57.07 58.57 1wk0 s TYR 60 Cb -0.55 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 1wk0 s TYR 60 CO 0.38 0.17 -0.23 -2.00 -1.57 0.00 0.00 175.55 172.30 1wk0 s GLU 61 N 0.66 3.07 -0.04 -0.62 2.56 0.58 -2.92 118.70 122.00 1wk0 s GLU 61 Ca 0.22 -0.86 -0.17 0.00 0.00 0.00 0.00 54.97 54.17 1wk0 s GLU 61 Cb -0.14 -2.36 -0.05 0.00 2.00 0.00 0.00 34.13 33.57 1wk0 s GLU 61 CO 0.08 0.14 0.47 0.08 -0.56 0.00 0.00 175.26 175.46 1wk0 s VAL 62 N 0.45 5.04 -0.11 3.70 1.01 -1.14 -1.11 120.40 128.24 1wk0 s VAL 62 Ca -0.16 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1wk0 s VAL 62 Cb -0.17 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1wk0 s VAL 62 CO 0.06 0.47 -0.13 -0.76 0.00 0.00 0.00 175.10 174.74 1wk0 s LEU 63 N -0.37 1.61 0.19 3.92 1.43 -0.35 -3.06 118.68 122.05 1wk0 s LEU 63 Ca 0.26 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1wk0 s LEU 63 Cb -0.17 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1wk0 s LEU 63 CO 0.13 -0.02 -0.17 0.27 0.23 0.00 0.00 176.35 176.79 1wk0 s ILE 64 N 1.20 1.83 -0.23 -0.59 -4.36 -1.14 -2.01 121.20 115.90 1wk0 s ILE 64 Ca -0.03 -2.08 -0.05 0.00 -0.26 0.00 0.00 60.65 58.23 1wk0 s ILE 64 Cb -0.14 -1.96 0.12 0.00 1.25 0.00 0.00 42.46 41.73 1wk0 s ILE 64 CO -0.04 -0.44 0.45 -0.55 0.24 0.00 0.00 174.94 174.59 1wk0 s SER 65 N -3.00 -0.31 0.38 4.36 0.15 -1.21 -2.61 113.70 111.46 1wk0 s SER 65 Ca 0.20 0.82 0.21 0.00 0.70 0.00 0.00 55.95 57.87 1wk0 s SER 65 Cb -0.04 1.45 0.45 0.00 -1.71 0.00 0.00 66.02 66.18 1wk0 s SER 65 CO 0.07 -0.25 1.63 0.77 1.20 0.00 0.00 173.24 176.66 1wk0 h SER 66 N 8.14 0.00 0.32 5.45 4.64 -1.91 -3.32 113.55 126.87 1wk0 h SER 66 Ca -0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 1wk0 h SER 66 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wk0 h SER 66 CO 0.17 0.27 -0.15 0.74 -0.87 0.00 0.00 176.83 177.00 1wk0 h THR 67 N 0.00 0.52 0.00 2.95 2.02 -1.93 -3.47 112.91 113.00 1wk0 h THR 67 Ca -0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1wk0 h THR 67 Cb 1.06 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1wk0 h THR 67 CO 0.04 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.65 1wk0 n GLY 68 N 0.14 -1.28 0.14 2.16 0.00 -1.25 -5.02 105.19 100.09 1wk0 n GLY 68 Ca -0.08 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 0.42 -2.04 1.61 1.57 -1.97 -3.35 116.57 112.81 1wk0 h LYS 69 Ca 0.00 -0.71 -0.52 0.00 -1.87 0.00 0.00 60.65 57.55 1wk0 h LYS 69 Cb 0.00 0.27 -0.17 0.00 0.08 0.00 0.00 32.23 32.40 1wk0 h LYS 69 CO 0.00 1.34 0.53 -0.25 -0.57 0.00 0.00 179.45 180.50 1wk0 n ASP 70 N -3.76 6.58 0.00 0.86 8.00 -1.26 -4.85 116.55 122.12 1wk0 n ASP 70 Ca -0.21 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.09 1wk0 n ASP 70 Cb 1.03 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 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 0.93 5.46 3.67 0.44 0.00 -1.26 -5.14 105.19 109.29 1wk0 n GLY 71 Ca 0.50 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 3.17 3.79 0.29 1.61 2.20 -1.26 -5.06 119.74 124.49 1wk0 s LYS 72 Ca 0.00 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 1wk0 s LYS 72 Cb 0.00 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 1wk0 s LYS 72 CO 0.00 0.39 0.20 0.71 -0.36 0.00 0.00 175.35 176.29 1wk0 s TYR 73 N 0.04 2.96 0.13 4.03 1.51 -1.26 -4.70 117.35 120.05 1wk0 s TYR 73 Ca 0.06 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1wk0 s TYR 73 Cb -0.12 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1wk0 s TYR 73 CO 0.01 0.40 -0.05 -1.59 -1.11 0.00 0.00 175.55 173.20 1wk0 s LYS 74 N -3.88 0.94 0.12 -0.62 -2.85 -1.07 -4.95 119.74 107.42 1wk0 s LYS 74 Ca 0.36 -1.41 -0.14 0.00 -1.00 0.00 0.00 55.97 53.78 1wk0 s LYS 74 Cb -0.06 -0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 35.38 1wk0 s LYS 74 CO 0.25 -0.04 0.53 -1.54 0.10 0.00 0.00 175.35 174.64 1wk0 s SER 75 N -3.09 6.83 0.00 0.03 1.04 -1.26 -2.89 113.70 114.36 1wk0 s SER 75 Ca 0.16 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1wk0 s SER 75 Cb 0.05 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1wk0 s SER 75 CO -0.02 0.15 0.00 1.33 0.98 0.00 0.00 173.24 175.68 1wk0 n VAL 76 N 0.99 0.00 -3.79 5.02 0.24 -1.17 -5.02 118.33 114.60 1wk0 n VAL 76 Ca -0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 1wk0 n VAL 76 Cb 0.52 -0.54 -0.09 0.00 -1.47 0.00 0.00 33.84 32.26 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 -1.57 -0.09 -0.28 6.34 6.14 -1.26 -4.97 117.35 121.65 1wk0 s TYR 77 Ca 0.00 0.06 -0.01 0.00 0.64 0.00 0.00 57.07 57.76 1wk0 s TYR 77 Cb 0.00 0.05 0.17 0.00 0.42 0.00 0.00 41.96 42.60 1wk0 s TYR 77 CO 0.00 -0.40 0.50 0.08 0.64 0.00 0.00 175.55 176.38 1wk0 s VAL 78 N -1.73 -0.82 0.00 3.14 1.01 -1.26 -2.87 120.40 117.87 1wk0 s VAL 78 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1wk0 s VAL 78 Cb -0.04 -0.93 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 0.00 175.10 175.66 1wk0 n GLY 79 N 5.40 2.59 0.06 4.51 0.00 -1.15 -4.98 105.19 111.62 1wk0 n GLY 79 Ca -0.02 -0.65 -0.08 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 1.26 -1.48 1.61 4.71 -1.26 -0.83 120.64 124.65 1wk0 n GLU 80 Ca 0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 57.16 56.77 1wk0 n GLU 80 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 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 -2.67 0.67 -0.08 3.49 4.71 -1.26 -4.75 120.64 120.74 1wk0 n GLU 81 Ca -0.22 0.24 -0.17 0.00 -0.01 0.00 0.00 57.16 57.00 1wk0 n GLU 81 Cb 0.82 -1.55 -0.12 0.00 -1.01 0.00 0.00 31.44 29.58 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 0.97 1.46 -3.40 2.62 1.35 -1.95 -3.46 112.91 110.50 1wk0 h THR 82 Ca -0.40 -2.27 -0.59 0.00 -0.55 0.00 0.00 66.41 62.59 1wk0 h THR 82 Cb 1.39 2.94 -0.11 0.00 -1.73 0.00 0.00 68.15 70.64 1wk0 h THR 82 CO 0.53 0.50 -0.26 0.21 -0.25 0.00 0.00 175.52 176.25 1wk0 s ASN 83 N -6.44 6.45 0.16 5.36 3.84 -1.26 -3.57 114.94 119.49 1wk0 s ASN 83 Ca -0.22 0.52 -0.08 0.00 0.21 0.00 0.00 52.86 53.29 1wk0 s ASN 83 Cb 0.00 -2.21 -0.01 0.00 -0.55 0.00 0.00 41.25 38.48 1wk0 s ASN 83 CO 0.65 0.00 0.27 0.27 -2.79 0.00 0.00 177.10 175.50 1wk0 s ILE 84 N 0.92 0.07 -0.06 -5.21 -5.25 -0.40 -5.02 121.20 106.25 1wk0 s ILE 84 Ca 0.18 -1.42 0.03 0.00 -0.99 0.00 0.00 60.65 58.45 1wk0 s ILE 84 Cb -0.14 -1.86 -0.03 0.00 2.95 0.00 0.00 42.46 43.38 1wk0 s ILE 84 CO 0.07 -0.30 -0.12 -0.89 -1.79 0.00 0.00 174.94 171.90 1wk0 s THR 85 N -3.97 3.22 0.37 8.37 2.01 -1.26 -0.22 115.64 124.16 1wk0 s THR 85 Ca 0.18 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1wk0 s THR 85 Cb 0.03 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1wk0 s THR 85 CO 0.00 0.59 0.67 -0.76 -0.69 0.00 0.00 174.62 174.43 1wk0 s LEU 86 N -0.71 3.89 0.14 4.42 1.43 -0.06 -4.91 118.68 122.87 1wk0 s LEU 86 Ca 0.11 0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 53.94 1wk0 s LEU 86 Cb -0.11 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.40 1wk0 s LEU 86 CO 0.01 -0.35 0.35 0.20 0.23 0.00 0.00 176.35 176.78 1wk0 s ASN 87 N -3.47 -0.09 -0.93 2.29 0.01 -1.26 -2.97 114.94 108.51 1wk0 s ASN 87 Ca 0.46 -0.55 -0.03 0.00 -0.71 0.00 0.00 52.86 52.04 1wk0 s ASN 87 Cb -0.10 0.45 0.00 0.00 0.41 0.00 0.00 41.25 42.01 1wk0 s ASN 87 CO 0.34 -0.87 0.34 -0.67 -1.51 0.00 0.00 177.10 174.74 1wk0 n ASP 88 N -0.20 -4.25 -4.93 -1.22 2.03 -1.26 -5.00 116.55 101.72 1wk0 n ASP 88 Ca -0.13 -0.16 -0.20 0.00 0.52 0.00 0.00 54.79 54.82 1wk0 n ASP 88 Cb 0.63 -3.15 0.05 0.00 -0.72 0.00 0.00 41.12 37.93 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 -4.13 3.26 -0.29 -2.67 1.43 -1.23 -5.08 118.68 109.96 1wk0 s LEU 89 Ca 0.17 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 1wk0 s LEU 89 Cb -0.08 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1wk0 s LEU 89 CO 0.21 -1.26 0.24 -0.54 0.23 0.00 0.00 176.35 175.24 1wk0 s LYS 90 N -4.74 3.84 0.49 1.70 3.01 -1.26 -4.64 119.74 118.14 1wk0 s LYS 90 Ca 0.60 -0.34 -0.22 0.00 -1.01 0.00 0.00 55.97 55.00 1wk0 s LYS 90 Cb -0.08 -3.70 -0.07 0.00 -1.01 0.00 0.00 37.83 32.97 1wk0 s LYS 90 CO 0.39 -0.27 1.15 -1.25 0.51 0.00 0.00 175.35 175.88 1wk0 s PRO 91 N 1.82 3.63 -1.18 -1.68 0.04 -1.24 -3.64 135.00 132.75 1wk0 s PRO 91 Ca 0.08 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1wk0 s PRO 91 Cb -0.16 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1wk0 s PRO 91 CO 0.11 -0.64 1.01 0.00 0.04 0.00 0.00 177.00 177.51 1wk0 n ALA 92 N -0.74 -1.56 -2.28 8.56 0.00 0.41 -4.78 120.51 120.11 1wk0 n ALA 92 Ca 0.09 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.58 1wk0 n ALA 92 Cb 0.49 -3.65 -0.09 0.00 0.00 0.00 0.00 19.45 16.19 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 -5.72 0.94 -0.05 0.00 0.00 -1.24 -4.96 119.30 108.27 1wk0 s MET 93 Ca 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 55.69 54.62 1wk0 s MET 93 Cb -0.11 0.27 0.02 0.00 0.00 0.00 0.00 34.83 35.01 1wk0 s MET 93 CO 0.68 -0.28 -0.03 0.34 0.00 0.00 0.00 175.02 175.73 1wk0 s ASP 94 N -3.01 1.12 0.25 1.11 -1.08 -1.26 -0.89 116.67 112.91 1wk0 s ASP 94 Ca 0.20 -0.12 -0.07 0.00 -0.52 0.00 0.00 52.55 52.04 1wk0 s ASP 94 Cb 0.07 -0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 41.06 1wk0 s ASP 94 CO -0.01 -0.09 0.36 -0.72 0.52 0.00 0.00 175.17 175.24 1wk0 s TYR 95 N 1.20 0.76 -0.00 -5.34 1.13 -1.24 -4.92 117.35 108.94 1wk0 s TYR 95 Ca -0.07 -1.04 -0.02 0.00 -1.41 0.00 0.00 57.07 54.53 1wk0 s TYR 95 Cb -0.14 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 1wk0 s TYR 95 CO -0.02 -0.90 0.15 -1.01 -2.51 0.00 0.00 175.55 171.26 1wk0 s HIS 96 N -3.90 3.47 0.09 -3.49 3.76 -1.25 -1.95 115.29 112.01 1wk0 s HIS 96 Ca 0.29 0.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.56 1wk0 s HIS 96 Cb 0.02 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 1wk0 s HIS 96 CO 0.12 0.62 -0.12 0.00 -0.85 0.00 0.00 174.74 174.50 1wk0 s ALA 97 N -1.29 1.18 0.09 -1.40 0.00 -0.93 -3.34 121.76 116.06 1wk0 s ALA 97 Ca 0.26 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1wk0 s ALA 97 Cb -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1wk0 s ALA 97 CO 0.18 0.08 0.23 0.15 0.00 0.00 0.00 175.76 176.40 1wk0 s LYS 98 N -2.24 0.86 -0.11 0.00 1.02 -0.85 -0.95 119.74 117.47 1wk0 s LYS 98 Ca 0.02 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1wk0 s LYS 98 Cb -0.07 0.36 0.02 0.00 -0.52 0.00 0.00 37.83 37.62 1wk0 s LYS 98 CO 0.02 -0.28 -0.14 0.54 -0.92 0.00 0.00 175.35 174.56 1wk0 s VAL 99 N -3.63 1.42 -0.08 3.17 0.11 -1.26 -1.21 120.40 118.92 1wk0 s VAL 99 Ca 0.03 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1wk0 s VAL 99 Cb 0.03 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.53 1wk0 s VAL 99 CO -0.10 0.43 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.43 1wk0 s GLN 100 N 1.16 2.90 0.05 1.54 0.74 -0.27 -2.22 119.66 123.55 1wk0 s GLN 100 Ca -0.03 -0.59 -0.06 0.00 0.05 0.00 0.00 55.36 54.73 1wk0 s GLN 100 Cb -0.14 -2.60 -0.05 0.00 1.10 0.00 0.00 33.01 31.32 1wk0 s GLN 100 CO -0.04 0.55 0.29 0.00 -0.55 0.00 0.00 175.29 175.54 1wk0 s ALA 101 N -0.51 3.85 -0.09 1.58 0.00 -1.26 -0.31 121.76 125.03 1wk0 s ALA 101 Ca 0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1wk0 s ALA 101 Cb -0.12 -2.06 0.04 0.00 0.00 0.00 0.00 23.12 20.98 1wk0 s ALA 101 CO 0.02 0.67 0.20 -2.00 0.00 0.00 0.00 175.76 174.65 1wk0 s GLU 102 N -2.06 0.16 -0.14 0.00 -6.30 0.21 -3.42 118.70 107.15 1wk0 s GLU 102 Ca 0.32 0.46 -0.12 0.00 -2.50 0.00 0.00 54.97 53.12 1wk0 s GLU 102 Cb -0.13 -0.14 0.04 0.00 0.00 0.00 0.00 34.13 33.90 1wk0 s GLU 102 CO 0.20 -0.16 0.37 -0.47 0.02 0.00 0.00 175.26 175.21 1wk0 s TYR 103 N 1.20 -0.41 -1.50 5.30 6.14 -1.19 -1.00 117.35 125.89 1wk0 s TYR 103 Ca -0.09 1.00 -0.05 0.00 0.64 0.00 0.00 57.07 58.57 1wk0 s TYR 103 Cb -0.11 0.14 0.02 0.00 0.42 0.00 0.00 41.96 42.44 1wk0 s TYR 103 CO -0.07 -0.20 0.51 -1.71 0.64 0.00 0.00 175.55 174.72 1wk0 n ASN 104 N 3.00 -5.52 -2.49 4.32 2.85 -1.26 -1.13 115.26 115.04 1wk0 n ASN 104 Ca -0.14 -0.27 -0.18 0.00 -0.11 0.00 0.00 54.58 53.88 1wk0 n ASN 104 Cb 0.57 -4.49 0.03 0.00 1.24 0.00 0.00 39.78 37.13 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wk0 n SER 105 N -2.41 -5.28 -4.03 1.20 7.64 -1.26 -4.99 113.62 104.49 1wk0 n SER 105 Ca -0.10 -0.23 -0.31 0.00 1.01 0.00 0.00 58.87 59.23 1wk0 n SER 105 Cb 0.61 -4.12 -0.15 0.00 -1.01 0.00 0.00 64.21 59.54 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 -3.06 2.25 -0.14 0.44 1.01 -0.28 -5.09 121.20 116.33 1wk0 s ILE 106 Ca 0.25 -2.21 -0.24 0.00 0.00 0.00 0.00 60.65 58.45 1wk0 s ILE 106 Cb -0.11 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1wk0 s ILE 106 CO 0.31 -0.50 0.75 -0.54 0.00 0.00 0.00 174.94 174.96 1wk0 s LYS 107 N 0.94 4.33 0.00 2.79 1.02 -1.26 -3.15 119.74 124.41 1wk0 s LYS 107 Ca 0.07 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.96 1wk0 s LYS 107 Cb -0.19 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.59 1wk0 s LYS 107 CO -0.08 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1wk0 n GLY 108 N 3.41 2.32 3.51 -3.33 0.00 -1.22 -4.99 105.19 104.88 1wk0 n GLY 108 Ca 0.01 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 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 4.34 3.45 0.44 2.61 2.01 -1.26 -4.96 115.64 122.27 1wk0 s THR 109 Ca 0.00 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.21 1wk0 s THR 109 Cb 0.00 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 1wk0 s THR 109 CO 0.00 0.57 1.17 -2.16 -0.69 0.00 0.00 174.62 173.51 1wk0 s PRO 110 N -0.42 3.86 1.45 4.92 0.04 -1.26 -4.58 135.00 139.01 1wk0 s PRO 110 Ca 0.06 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 1wk0 s PRO 110 Cb -0.12 -2.51 0.37 0.00 0.04 0.00 0.00 34.50 32.28 1wk0 s PRO 110 CO 0.02 -0.48 0.92 -1.54 0.04 0.00 0.00 177.00 175.96 1wk0 s SER 111 N -1.26 -1.28 1.27 6.66 1.04 -0.94 -4.93 113.70 114.26 1wk0 s SER 111 Ca 0.61 0.80 -0.19 0.00 0.48 0.00 0.00 55.95 57.65 1wk0 s SER 111 Cb -0.30 -1.11 0.28 0.00 0.10 0.00 0.00 66.02 65.00 1wk0 s SER 111 CO 0.37 -5.49 0.67 -0.62 0.98 0.00 0.00 173.24 169.14 1wk0 n GLU 112 N -5.72 -3.38 -3.49 4.02 4.71 -1.26 -4.65 120.64 110.87 1wk0 n GLU 112 Ca 0.14 -0.99 -0.40 0.00 -0.01 0.00 0.00 57.16 55.90 1wk0 n GLU 112 Cb 0.61 -1.85 -0.10 0.00 -1.01 0.00 0.00 31.44 29.08 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wk0 s ALA 113 N -2.18 3.52 -0.50 0.62 0.00 -1.26 -4.47 121.76 117.48 1wk0 s ALA 113 Ca 0.59 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1wk0 s ALA 113 Cb -0.14 -2.66 0.12 0.00 0.00 0.00 0.00 23.12 20.44 1wk0 s ALA 113 CO 0.55 -0.83 0.42 -2.00 0.00 0.00 0.00 175.76 173.90 1wk0 s GLU 114 N 1.87 2.75 -0.11 0.00 2.56 -0.12 -4.83 118.70 120.81 1wk0 s GLU 114 Ca 0.09 -1.72 -0.30 0.00 0.00 0.00 0.00 54.97 53.05 1wk0 s GLU 114 Cb -0.17 -4.11 -0.02 0.00 2.00 0.00 0.00 34.13 31.84 1wk0 s GLU 114 CO 0.11 -1.25 1.08 -1.50 -0.56 0.00 0.00 175.26 173.14 1wk0 s ILE 115 N 1.49 4.58 -0.04 -3.70 2.07 -1.26 -2.20 121.20 122.14 1wk0 s ILE 115 Ca 0.04 1.87 0.01 0.00 -1.41 0.00 0.00 60.65 61.16 1wk0 s ILE 115 Cb -0.28 -4.20 0.02 0.00 0.13 0.00 0.00 42.46 38.13 1wk0 s ILE 115 CO 0.01 -0.03 -0.03 0.72 -1.91 0.00 0.00 174.94 173.71 1wk0 s PHE 116 N 2.28 0.63 -0.01 3.50 -0.12 -0.82 -4.98 117.98 118.46 1wk0 s PHE 116 Ca 0.51 -0.15 -0.17 0.00 -0.05 0.00 0.00 56.93 57.07 1wk0 s PHE 116 Cb -0.20 -0.62 -0.06 0.00 -0.63 0.00 0.00 43.02 41.51 1wk0 s PHE 116 CO 0.18 -0.20 0.48 0.99 -0.05 0.00 0.00 175.22 176.62 1wk0 s THR 117 N 1.11 4.97 0.47 -4.49 2.01 -1.26 -3.64 115.64 114.81 1wk0 s THR 117 Ca -0.08 1.00 0.08 0.00 0.31 0.00 0.00 61.69 63.00 1wk0 s THR 117 Cb -0.14 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.60 1wk0 s THR 117 CO -0.01 0.51 0.63 0.42 -0.69 0.00 0.00 174.62 175.47 1wk0 s THR 118 N -0.66 2.71 0.45 -0.82 -4.23 -0.07 -4.95 115.64 108.07 1wk0 s THR 118 Ca 0.26 -1.02 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 1wk0 s THR 118 Cb -0.17 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1wk0 s THR 118 CO 0.15 0.00 0.59 -1.48 -0.54 0.00 0.00 174.62 173.33 1wk0 s LEU 119 N -4.44 3.53 0.88 4.79 2.34 -1.25 -3.42 118.68 121.11 1wk0 s LEU 119 Ca 0.57 -0.53 -0.13 0.00 0.06 0.00 0.00 54.13 54.10 1wk0 s LEU 119 Cb -0.08 -2.42 0.12 0.00 -0.56 0.00 0.00 46.19 43.25 1wk0 s LEU 119 CO 0.35 -0.85 1.17 -0.94 -1.06 0.00 0.00 176.35 175.02 1wk0 s SER 120 N -4.38 3.85 0.34 1.48 1.04 -1.26 -0.45 113.70 114.32 1wk0 s SER 120 Ca 0.55 0.82 0.28 0.00 0.48 0.00 0.00 55.95 58.08 1wk0 s SER 120 Cb -0.09 -1.31 1.11 0.00 0.10 0.00 0.00 66.02 65.84 1wk0 s SER 120 CO 0.33 -2.32 1.09 0.00 0.98 0.00 0.00 173.24 173.32 1wk0 n GLU 122 N -3.80 -0.30 -1.04 0.00 1.02 -1.26 -4.88 120.64 110.38 1wk0 n GLU 122 Ca 0.29 -0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 57.07 1wk0 n GLU 122 Cb 1.23 -1.56 0.25 0.00 -0.02 0.00 0.00 31.44 31.34 1wk0 n GLU 122 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wk0 n PRO 123 N -0.34 -3.15 -1.18 3.49 -0.04 -1.26 -4.47 135.00 128.06 1wk0 n PRO 123 Ca 0.03 -1.75 -0.40 0.00 -0.04 0.00 0.00 63.50 61.35 1wk0 n PRO 123 Cb 0.56 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1wk0 n PRO 123 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wk0 n ASP 124 N -4.87 -1.42 -4.62 3.54 8.00 -1.26 -4.77 116.55 111.15 1wk0 n ASP 124 Ca 0.15 0.90 -0.43 0.00 0.71 0.00 0.00 54.79 56.12 1wk0 n ASP 124 Cb 0.59 -0.80 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wk0 s ILE 125 N -1.00 3.90 -2.00 0.53 -1.09 -1.26 -4.86 121.20 115.41 1wk0 s ILE 125 Ca 0.54 0.97 0.11 0.00 -2.23 0.00 0.00 60.65 60.04 1wk0 s ILE 125 Cb -0.73 -4.03 0.31 0.00 -1.58 0.00 0.00 42.46 36.43 1wk0 s ILE 125 CO 0.49 -0.53 1.08 -0.81 -1.23 0.00 0.00 174.94 173.95 1wk0 n PRO 126 N 7.77 0.49 -1.42 2.79 -0.04 -1.26 -4.87 135.00 138.45 1wk0 n PRO 126 Ca 0.17 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 63.08 1wk0 n PRO 126 Cb 0.47 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 1wk0 n PRO 126 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wk0 n ASN 127 N -0.85 0.79 -4.61 3.54 2.85 -1.26 -4.78 115.26 110.95 1wk0 n ASN 127 Ca 0.08 0.99 -0.43 0.00 -0.11 0.00 0.00 54.58 55.12 1wk0 n ASN 127 Cb 0.04 -0.75 -0.03 0.00 1.24 0.00 0.00 39.78 40.29 1wk0 n ASN 127 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1wk0 s PRO 128 N 1.97 3.54 0.38 1.20 0.04 -1.26 -4.88 135.00 135.99 1wk0 s PRO 128 Ca 0.86 1.43 0.17 0.00 0.04 0.00 0.00 61.00 63.50 1wk0 s PRO 128 Cb -1.22 -4.11 0.75 0.00 0.04 0.00 0.00 34.50 29.96 1wk0 s PRO 128 CO 0.64 -1.60 1.79 -1.00 0.04 0.00 0.00 177.00 176.87 1wk0 h PRO 129 N 11.74 0.00 -4.90 0.56 0.13 -1.98 -3.46 132.00 134.09 1wk0 h PRO 129 Ca -0.33 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.33 1wk0 h PRO 129 Cb 1.15 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 1wk0 h PRO 129 CO 1.03 0.37 -0.49 1.03 -0.23 0.00 0.00 178.00 179.71 1wk0 s ARG 130 N -3.86 1.75 -0.09 0.86 1.81 -1.26 -5.07 118.95 113.09 1wk0 s ARG 130 Ca -0.01 -2.02 0.16 0.00 -1.72 0.00 0.00 55.73 52.14 1wk0 s ARG 130 Cb 0.12 0.30 0.33 0.00 -0.45 0.00 0.00 34.95 35.26 1wk0 s ARG 130 CO 0.69 -0.64 1.15 0.44 -0.68 0.00 0.00 175.30 176.27 1wk0 n ILE 131 N -0.62 0.98 -3.78 1.52 -5.35 -1.26 -5.08 119.36 105.77 1wk0 n ILE 131 Ca 0.07 -1.73 -0.04 0.00 -0.27 0.00 0.00 62.75 60.79 1wk0 n ILE 131 Cb 0.62 0.34 -0.01 0.00 -1.74 0.00 0.00 39.64 38.85 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 -2.35 -0.15 -0.37 7.28 0.01 -1.26 -5.13 113.70 111.73 1wk0 s SER 132 Ca 0.29 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1wk0 s SER 132 Cb 0.30 0.51 0.15 0.00 0.21 0.00 0.00 66.02 67.20 1wk0 s SER 132 CO -0.08 -0.96 0.26 -0.83 0.41 0.00 0.00 173.24 172.04 1wk0 s GLY 133 N -3.01 0.94 1.20 3.44 0.00 -1.26 -5.14 107.32 103.50 1wk0 s GLY 133 Ca 0.14 -2.04 -0.19 0.00 0.00 0.00 0.00 44.72 42.62 1wk0 s GLY 133 CO 0.03 2.12 1.11 2.56 0.00 0.00 0.00 173.10 178.93 1wk0 s PRO 134 N 0.73 -1.19 0.35 2.90 0.04 -1.26 -5.01 135.00 131.56 1wk0 s PRO 134 Ca 0.23 -0.05 -0.25 0.00 0.04 0.00 0.00 61.00 60.97 1wk0 s PRO 134 Cb -0.14 -1.60 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 1wk0 s PRO 134 CO -0.06 -3.69 0.96 -1.54 0.04 0.00 0.00 177.00 172.71 1wk0 s SER 135 N -3.88 7.21 -0.30 6.66 1.04 -1.26 -5.06 113.70 118.12 1wk0 s SER 135 Ca 0.71 1.85 -0.12 0.00 0.48 0.00 0.00 55.95 58.86 1wk0 s SER 135 Cb -0.10 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.58 1wk0 s SER 135 CO 0.56 -0.16 0.78 -0.44 0.98 0.00 0.00 173.24 174.96 1wk0 s SER 136 N -1.67 -0.91 0.00 7.02 0.01 -1.26 -5.34 113.70 111.55 1wk0 s SER 136 Ca 0.53 1.28 0.00 0.00 1.31 0.00 0.00 55.95 59.06 1wk0 s SER 136 Cb -0.18 1.95 0.00 0.00 0.21 0.00 0.00 66.02 68.00 1wk0 s SER 136 CO 0.23 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.31