#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 6.99 -1.09 1.61 1.04 -1.26 -4.96 113.70 116.03 1wk0 s SER 2 Ca 0.00 1.69 -0.15 0.00 0.48 0.00 0.00 55.95 57.98 1wk0 s SER 2 Cb 0.00 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.75 1wk0 s SER 2 CO 0.00 -0.70 1.27 -0.55 0.98 0.00 0.00 173.24 174.23 1wk0 s SER 3 N 1.77 6.95 0.00 7.02 0.15 -1.26 -4.87 113.70 123.46 1wk0 s SER 3 Ca 0.54 -2.76 0.00 0.00 0.70 0.00 0.00 55.95 54.43 1wk0 s SER 3 Cb -0.22 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1wk0 s SER 3 CO 0.16 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1wk0 n GLY 4 N 4.36 0.48 3.40 9.45 0.00 -1.26 -5.03 105.19 116.58 1wk0 n GLY 4 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1wk0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk0 s SER 5 N -1.00 3.97 0.20 1.61 0.01 -1.26 -5.11 113.70 112.11 1wk0 s SER 5 Ca 0.00 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 56.81 1wk0 s SER 5 Cb 0.00 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.91 1wk0 s SER 5 CO 0.00 0.23 0.48 -0.44 0.41 0.00 0.00 173.24 173.91 1wk0 s SER 6 N -0.02 -0.18 0.00 2.44 0.01 -1.26 -5.07 113.70 109.62 1wk0 s SER 6 Ca -0.04 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1wk0 s SER 6 Cb -0.14 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1wk0 s SER 6 CO 0.04 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.26 1wk0 n GLY 7 N -0.32 0.00 0.27 3.44 0.00 -1.26 -4.79 105.19 102.53 1wk0 n GLY 7 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wk0 h ASP 8 N 0.00 0.35 -1.18 1.61 3.04 -2.01 -0.99 116.42 117.24 1wk0 h ASP 8 Ca 0.00 0.09 0.45 0.00 -3.24 0.00 0.00 57.03 54.33 1wk0 h ASP 8 Cb 0.25 0.04 -0.16 0.00 -1.04 0.00 0.00 39.33 38.42 1wk0 h ASP 8 CO 0.00 0.17 0.70 1.05 -2.04 0.00 0.00 179.24 179.12 1wk0 h GLU 9 N 0.51 0.00 -0.13 4.15 4.11 -2.01 0.82 114.58 122.04 1wk0 h GLU 9 Ca 0.39 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.80 1wk0 h GLU 9 Cb 0.52 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1wk0 h GLU 9 CO -0.35 0.00 0.02 0.93 0.07 0.00 0.00 179.01 179.69 1wk0 h GLU 10 N 0.00 0.21 -0.54 1.06 5.08 -1.53 -2.87 114.58 115.99 1wk0 h GLU 10 Ca 0.87 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 59.27 1wk0 h GLU 10 Cb 2.53 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.68 1wk0 h GLU 10 CO -0.63 0.39 0.10 1.15 -1.00 0.00 0.00 179.01 179.03 1wk0 h THR 11 N -0.01 0.68 -0.36 1.13 2.02 0.59 -0.95 112.91 116.01 1wk0 h THR 11 Ca 0.04 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1wk0 h THR 11 Cb 0.29 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1wk0 h THR 11 CO 0.00 0.04 0.03 0.11 0.37 0.00 0.00 175.52 176.08 1wk0 h LYS 12 N 0.24 0.14 -0.30 6.66 1.57 -1.36 0.88 116.57 124.40 1wk0 h LYS 12 Ca 0.28 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1wk0 h LYS 12 Cb 0.39 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1wk0 h LYS 12 CO -0.37 0.09 0.13 0.00 -0.57 0.00 0.00 179.45 178.73 1wk0 h ALA 13 N 1.29 1.67 -0.06 3.86 0.00 -1.10 -2.01 119.26 122.92 1wk0 h ALA 13 Ca 0.17 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1wk0 h ALA 13 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1wk0 h ALA 13 CO -0.26 0.27 -0.73 0.74 0.00 0.00 0.00 179.25 179.27 1wk0 h PHE 14 N 0.41 0.46 -0.06 0.00 0.04 0.12 0.21 116.94 118.13 1wk0 h PHE 14 Ca 0.10 -0.21 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 1wk0 h PHE 14 Cb 0.07 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1wk0 h PHE 14 CO 0.00 0.95 -0.23 0.93 -0.60 0.00 0.00 178.31 179.37 1wk0 h GLU 15 N 0.23 0.09 0.08 1.51 5.08 -0.14 0.14 114.58 121.56 1wk0 h GLU 15 Ca -0.03 -0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.94 1wk0 h GLU 15 Cb 1.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1wk0 h GLU 15 CO 0.12 0.32 -2.09 0.00 -1.00 0.00 0.00 179.01 176.36 1wk0 n ALA 16 N -2.49 1.04 0.19 3.43 0.00 -1.03 -3.85 120.51 117.79 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 0.31 -0.49 -0.08 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 -0.07 -0.43 -1.96 0.00 5.85 -0.55 -2.88 115.31 115.28 1wk0 h LEU 17 Ca -0.47 -0.14 0.21 0.00 0.84 0.00 0.00 57.88 58.32 1wk0 h LEU 17 Cb 1.93 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 43.04 1wk0 h LEU 17 CO -0.00 -0.05 0.53 -0.07 -0.34 0.00 0.00 178.44 178.50 1wk0 h LEU 18 N -0.85 0.04 -3.39 2.25 3.38 -0.92 0.51 115.31 116.33 1wk0 h LEU 18 Ca -0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 1wk0 h LEU 18 Cb 0.54 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.15 1wk0 h LEU 18 CO 0.08 0.02 0.29 -0.24 0.09 0.00 0.00 178.44 178.68 1wk0 n SER 19 N -4.33 4.20 -0.66 -0.43 2.88 -1.14 -4.13 113.62 110.00 1wk0 n SER 19 Ca 0.15 -3.06 0.05 0.00 -1.33 0.00 0.00 58.87 54.67 1wk0 n SER 19 Cb 0.79 -0.72 0.21 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.23 1.79 -4.50 -3.46 2.85 0.18 -4.85 115.26 107.05 1wk0 n ASN 20 Ca 0.37 -3.89 -0.24 0.00 -0.11 0.00 0.00 54.58 50.71 1wk0 n ASN 20 Cb 1.27 -0.54 0.13 0.00 1.24 0.00 0.00 39.78 41.87 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1wk0 n ILE 21 N -1.12 0.00 -5.03 -1.44 -0.00 -1.26 -1.76 119.36 108.74 1wk0 n ILE 21 Ca 0.21 -1.52 -0.32 0.00 -0.00 0.00 0.00 62.75 61.11 1wk0 n ILE 21 Cb 0.73 -0.96 -0.15 0.00 -0.00 0.00 0.00 39.64 39.26 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 -3.20 2.57 0.31 7.28 1.01 -1.25 -4.92 120.40 122.20 1wk0 s VAL 22 Ca 0.68 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 1wk0 s VAL 22 Cb -0.04 -2.01 -0.15 0.00 0.00 0.00 0.00 36.38 34.19 1wk0 s VAL 22 CO 0.45 0.56 0.65 2.29 0.00 0.00 0.00 175.10 179.06 1wk0 n LYS 23 N 3.03 0.59 -1.18 2.72 2.85 -1.26 -4.23 118.16 120.69 1wk0 n LYS 23 Ca -0.18 0.21 -0.29 0.00 -1.05 0.00 0.00 58.31 57.00 1wk0 n LYS 23 Cb 0.52 -1.41 0.16 0.00 -0.65 0.00 0.00 35.03 33.65 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 -1.35 0.75 -0.03 -1.58 0.04 -1.26 -4.75 135.00 126.82 1wk0 s PRO 24 Ca 0.62 0.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.27 1wk0 s PRO 24 Cb -0.74 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.04 1wk0 s PRO 24 CO 0.58 -2.54 0.09 0.08 0.04 0.00 0.00 177.00 175.25 1wk0 s VAL 25 N -2.95 0.01 -0.05 -0.36 1.01 -0.59 -4.74 120.40 112.73 1wk0 s VAL 25 Ca 0.65 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1wk0 s VAL 25 Cb -0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1wk0 s VAL 25 CO 0.57 -0.03 0.31 0.00 0.00 0.00 0.00 175.10 175.95 1wk0 s ALA 26 N -0.05 3.76 0.00 5.51 0.00 -1.26 -0.35 121.76 129.37 1wk0 s ALA 26 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1wk0 s ALA 26 Cb -0.01 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1wk0 s ALA 26 CO 0.00 0.52 0.00 0.45 0.00 0.00 0.00 175.76 176.73 1wk0 n SER 27 N 1.92 0.00 -2.85 0.00 2.88 -0.74 -4.87 113.62 109.97 1wk0 n SER 27 Ca -0.16 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.12 1wk0 n SER 27 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1wk0 n SER 27 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wk0 n ASP 28 N -1.55 6.73 -4.67 -3.46 9.92 -1.26 -4.88 116.55 117.40 1wk0 n ASP 28 Ca 0.00 -2.46 -0.42 0.00 -0.53 0.00 0.00 54.79 51.38 1wk0 n ASP 28 Cb 0.00 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.07 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wk0 s ILE 29 N 2.03 3.27 0.26 0.53 1.01 -1.26 -3.31 121.20 123.73 1wk0 s ILE 29 Ca 0.62 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.70 1wk0 s ILE 29 Cb 0.20 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.41 1wk0 s ILE 29 CO -0.03 -0.03 0.08 0.00 0.00 0.00 0.00 174.94 174.95 1wk0 n GLN 30 N 6.93 1.27 0.00 2.79 6.02 0.24 -4.73 117.38 129.90 1wk0 n GLN 30 Ca 0.18 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 1wk0 n GLN 30 Cb 0.42 0.37 0.00 0.00 1.02 0.00 0.00 30.24 32.05 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 -2.28 0.00 -0.03 -1.58 0.00 -1.26 -3.47 120.51 111.88 1wk0 n ALA 31 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1wk0 n ALA 31 Cb 0.32 0.44 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.62 2.58 -3.34 0.00 1.74 -1.26 -3.88 116.66 109.89 1wk0 n ARG 32 Ca 0.00 -0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 1wk0 n ARG 32 Cb 0.00 -1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.21 5.07 0.20 0.55 -4.23 -1.26 -4.08 115.64 109.68 1wk0 s THR 33 Ca -0.03 -0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 60.05 1wk0 s THR 33 Cb 0.02 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1wk0 s THR 33 CO 0.29 -0.47 0.57 0.68 -0.54 0.00 0.00 174.62 175.16 1wk0 s VAL 34 N -2.23 0.02 -0.48 2.29 -7.23 -1.23 0.82 120.40 112.35 1wk0 s VAL 34 Ca 0.42 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.88 1wk0 s VAL 34 Cb -0.10 -1.51 0.12 0.00 0.56 0.00 0.00 36.38 35.46 1wk0 s VAL 34 CO 0.34 -0.07 0.34 -0.69 -0.31 0.00 0.00 175.10 174.71 1wk0 s VAL 35 N -3.85 4.09 -0.16 1.32 1.01 -1.21 -2.17 120.40 119.44 1wk0 s VAL 35 Ca 0.07 -1.90 -0.18 0.00 0.00 0.00 0.00 61.98 59.98 1wk0 s VAL 35 Cb -0.02 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1wk0 s VAL 35 CO -0.04 -0.78 0.48 -0.22 0.00 0.00 0.00 175.10 174.55 1wk0 s LEU 36 N 1.23 4.21 -0.11 3.92 2.96 -0.47 -1.79 118.68 128.62 1wk0 s LEU 36 Ca 0.07 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1wk0 s LEU 36 Cb -0.25 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 43.78 1wk0 s LEU 36 CO -0.02 -0.08 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.87 1wk0 s THR 37 N 1.10 1.67 0.06 3.68 2.01 0.53 -1.88 115.64 122.82 1wk0 s THR 37 Ca 0.24 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1wk0 s THR 37 Cb -0.15 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1wk0 s THR 37 CO 0.10 0.48 -0.09 -1.66 -0.69 0.00 0.00 174.62 172.75 1wk0 s TRP 38 N 0.88 0.86 0.33 4.92 -2.14 -1.26 -1.54 118.94 120.99 1wk0 s TRP 38 Ca -0.08 -0.57 -0.06 0.00 2.66 0.00 0.00 56.10 58.05 1wk0 s TRP 38 Cb -0.15 -0.49 -0.05 0.00 -3.10 0.00 0.00 33.47 29.67 1wk0 s TRP 38 CO -0.01 -0.05 0.62 -1.12 -2.66 0.00 0.00 176.95 173.73 1wk0 s SER 39 N -1.94 6.46 0.89 -2.66 0.01 -1.26 -4.64 113.70 110.56 1wk0 s SER 39 Ca -0.03 0.83 -0.11 0.00 1.31 0.00 0.00 55.95 57.94 1wk0 s SER 39 Cb -0.07 -2.19 0.13 0.00 0.21 0.00 0.00 66.02 64.10 1wk0 s SER 39 CO -0.00 -0.26 1.09 -2.16 0.41 0.00 0.00 173.24 172.32 1wk0 s PRO 40 N -3.69 1.28 0.69 12.44 0.04 -1.26 -3.80 135.00 140.71 1wk0 s PRO 40 Ca 0.46 0.82 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 1wk0 s PRO 40 Cb -0.11 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1wk0 s PRO 40 CO 0.31 -2.23 1.10 -1.25 0.04 0.00 0.00 177.00 174.98 1wk0 s PRO 41 N -4.94 2.64 -0.23 0.56 0.04 -1.26 -4.52 135.00 127.28 1wk0 s PRO 41 Ca 0.63 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.89 1wk0 s PRO 41 Cb -0.18 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1wk0 s PRO 41 CO 0.57 -1.37 0.16 0.45 0.04 0.00 0.00 177.00 176.85 1wk0 s SER 42 N -2.83 6.13 -0.48 6.66 0.15 -0.72 -4.92 113.70 117.69 1wk0 s SER 42 Ca 0.65 0.13 -0.23 0.00 0.70 0.00 0.00 55.95 57.20 1wk0 s SER 42 Cb -0.19 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1wk0 s SER 42 CO 0.46 0.08 0.83 -0.44 1.20 0.00 0.00 173.24 175.36 1wk0 s SER 43 N 0.97 6.39 -0.03 5.45 0.01 -1.26 -4.68 113.70 120.54 1wk0 s SER 43 Ca 0.08 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.14 1wk0 s SER 43 Cb -0.13 -2.40 0.11 0.00 0.21 0.00 0.00 66.02 63.81 1wk0 s SER 43 CO 0.04 -1.01 0.70 0.18 0.41 0.00 0.00 173.24 173.55 1wk0 n LEU 44 N 6.91 1.53 0.14 2.44 4.77 -1.26 -4.15 117.00 127.38 1wk0 n LEU 44 Ca 0.02 -0.77 0.08 0.00 -0.03 0.00 0.00 56.01 55.31 1wk0 n LEU 44 Cb 0.48 -0.49 0.43 0.00 -2.33 0.00 0.00 43.42 41.51 1wk0 n LEU 44 CO 0.60 0.29 0.77 -0.38 -1.33 0.00 0.00 177.39 177.34 1wk0 n ILE 45 N 0.06 1.03 -1.95 -0.08 5.41 -1.26 -4.78 119.36 117.78 1wk0 n ILE 45 Ca 0.04 0.70 -0.17 0.00 1.00 0.00 0.00 62.75 64.32 1wk0 n ILE 45 Cb 0.35 -1.70 -0.04 0.00 -0.71 0.00 0.00 39.64 37.54 1wk0 n ILE 45 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1wk0 n ASN 46 N -2.07 -5.00 0.00 4.38 3.02 -1.26 -1.66 115.26 112.68 1wk0 n ASN 46 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1wk0 n ASN 46 Cb 0.12 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 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 -0.97 1.28 0.62 7.41 0.00 -1.26 -4.82 105.19 107.46 1wk0 n GLY 47 Ca -0.19 0.00 0.48 0.00 0.00 0.00 0.00 46.02 46.32 1wk0 n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wk0 n GLU 48 N -2.00 -0.01 -4.43 1.61 2.13 -0.66 -4.30 120.64 112.97 1wk0 n GLU 48 Ca 0.00 1.10 -0.26 0.00 0.66 0.00 0.00 57.16 58.66 1wk0 n GLU 48 Cb 0.00 -2.43 -0.11 0.00 0.27 0.00 0.00 31.44 29.17 1wk0 n GLU 48 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1wk0 s THR 49 N -4.92 2.41 0.50 6.31 -1.32 -1.26 -5.11 115.64 112.26 1wk0 s THR 49 Ca -0.06 -2.14 -0.20 0.00 -1.21 0.00 0.00 61.69 58.09 1wk0 s THR 49 Cb 0.27 -2.19 -0.11 0.00 -1.51 0.00 0.00 72.50 68.97 1wk0 s THR 49 CO 0.85 -0.20 0.51 -0.67 -2.21 0.00 0.00 174.62 172.90 1wk0 n ASP 50 N -0.01 -1.03 0.17 8.08 -0.08 -1.26 -4.86 116.55 117.55 1wk0 n ASP 50 Ca -0.10 0.81 0.01 0.00 -1.51 0.00 0.00 54.79 54.00 1wk0 n ASP 50 Cb 0.57 -1.14 0.31 0.00 2.34 0.00 0.00 41.12 43.20 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1wk0 h GLU 51 N 0.50 0.02 -1.13 -0.67 5.08 -1.99 -2.82 114.58 113.57 1wk0 h GLU 51 Ca -0.43 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 1wk0 h GLU 51 Cb 1.40 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.56 1wk0 h GLU 51 CO 0.49 0.45 0.19 -1.13 -1.00 0.00 0.00 179.01 178.01 1wk0 n SER 52 N -4.03 3.72 -0.06 1.42 3.41 -1.26 -3.70 113.62 113.12 1wk0 n SER 52 Ca -0.02 -2.51 -0.08 0.00 -0.26 0.00 0.00 58.87 56.01 1wk0 n SER 52 Cb 0.46 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.67 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 0.19 3.07 -4.72 4.04 2.88 -1.06 -4.99 113.62 113.02 1wk0 n SER 53 Ca 0.17 -0.06 -0.42 0.00 -1.33 0.00 0.00 58.87 57.23 1wk0 n SER 53 Cb 0.77 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.23 3.35 0.99 2.46 -7.23 -1.24 -5.01 120.40 111.48 1wk0 s VAL 54 Ca -0.14 1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.91 1wk0 s VAL 54 Cb 0.04 -3.64 0.18 0.00 0.56 0.00 0.00 36.38 33.52 1wk0 s VAL 54 CO 0.28 0.10 1.09 -2.16 -0.31 0.00 0.00 175.10 174.10 1wk0 s PRO 55 N 0.74 0.51 -0.02 4.82 0.04 -1.26 -5.01 135.00 134.83 1wk0 s PRO 55 Ca 0.62 0.55 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1wk0 s PRO 55 Cb -0.36 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1wk0 s PRO 55 CO 0.32 -2.68 0.87 -0.85 0.04 0.00 0.00 177.00 174.70 1wk0 n GLU 56 N -4.15 0.52 -0.77 4.56 0.28 -1.26 -4.77 120.64 115.05 1wk0 n GLU 56 Ca 0.05 -1.14 0.05 0.00 -0.16 0.00 0.00 57.16 55.96 1wk0 n GLU 56 Cb 0.57 -0.71 0.33 0.00 1.43 0.00 0.00 31.44 33.07 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 -0.27 5.16 -4.51 -1.84 7.99 -1.26 -4.92 117.00 117.35 1wk0 n LEU 57 Ca 0.02 -3.05 -0.40 0.00 -0.01 0.00 0.00 56.01 52.57 1wk0 n LEU 57 Cb 0.58 -0.65 -0.12 0.00 -0.11 0.00 0.00 43.42 43.12 1wk0 n LEU 57 CO 0.00 0.70 2.16 -1.22 -1.51 0.00 0.00 177.39 177.52 1wk0 n TYR 58 N 0.04 0.82 -1.56 -1.77 4.01 -1.26 -4.74 117.16 112.70 1wk0 n TYR 58 Ca 0.28 0.32 -0.43 0.00 -0.16 0.00 0.00 57.90 57.91 1wk0 n TYR 58 Cb 1.13 -2.45 -0.04 0.00 -0.31 0.00 0.00 39.34 37.67 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 6.39 0.69 3.86 2.72 0.00 0.38 -4.60 105.19 114.63 1wk0 n GLY 59 Ca 0.58 0.79 -0.36 0.00 0.00 0.00 0.00 46.02 47.02 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 9.14 3.64 -0.06 1.61 2.02 0.06 0.55 117.35 134.32 1wk0 s TYR 60 Ca 1.03 0.84 0.02 0.00 -0.37 0.00 0.00 57.07 58.58 1wk0 s TYR 60 Cb -0.41 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 38.98 1wk0 s TYR 60 CO 0.36 0.59 -0.10 -2.00 -1.57 0.00 0.00 175.55 172.83 1wk0 s GLU 61 N -1.50 1.50 -0.05 -0.62 2.12 0.57 -2.34 118.70 118.38 1wk0 s GLU 61 Ca 0.27 -0.34 -0.22 0.00 0.36 0.00 0.00 54.97 55.05 1wk0 s GLU 61 Cb -0.15 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 1wk0 s GLU 61 CO 0.15 0.00 0.63 0.08 -0.54 0.00 0.00 175.26 175.58 1wk0 s VAL 62 N 0.72 5.01 -0.18 3.70 1.01 -0.97 -1.28 120.40 128.41 1wk0 s VAL 62 Ca -0.14 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.16 1wk0 s VAL 62 Cb -0.15 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1wk0 s VAL 62 CO 0.03 0.32 -0.19 -0.76 0.00 0.00 0.00 175.10 174.50 1wk0 s LEU 63 N 0.40 2.18 0.14 3.92 1.43 -0.84 -2.89 118.68 123.01 1wk0 s LEU 63 Ca 0.33 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1wk0 s LEU 63 Cb -0.18 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1wk0 s LEU 63 CO 0.17 0.01 -0.13 0.27 0.23 0.00 0.00 176.35 176.90 1wk0 s ILE 64 N 1.21 1.36 -0.26 -0.59 -4.36 -1.15 -1.64 121.20 115.77 1wk0 s ILE 64 Ca 0.03 -1.85 -0.04 0.00 -0.26 0.00 0.00 60.65 58.53 1wk0 s ILE 64 Cb -0.14 -1.66 0.14 0.00 1.25 0.00 0.00 42.46 42.05 1wk0 s ILE 64 CO -0.10 -0.50 0.48 -0.55 0.24 0.00 0.00 174.94 174.50 1wk0 s SER 65 N -2.71 -0.47 0.00 4.36 0.15 -1.22 -2.69 113.70 111.12 1wk0 s SER 65 Ca 0.12 0.71 0.26 0.00 0.70 0.00 0.00 55.95 57.74 1wk0 s SER 65 Cb -0.03 1.59 1.40 0.00 -1.71 0.00 0.00 66.02 67.27 1wk0 s SER 65 CO 0.03 -0.27 1.92 -1.54 1.20 0.00 0.00 173.24 174.58 1wk0 n SER 66 N 5.40 0.38 -0.03 5.45 3.41 -1.26 -3.45 113.62 123.52 1wk0 n SER 66 Ca -0.05 -1.28 -0.15 0.00 -0.26 0.00 0.00 58.87 57.13 1wk0 n SER 66 Cb 0.50 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 1wk0 n SER 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1wk0 n THR 67 N -0.63 1.65 0.00 6.66 -1.04 -1.26 -5.00 114.28 114.66 1wk0 n THR 67 Ca 0.19 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1wk0 n THR 67 Cb 0.15 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1wk0 n THR 67 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wk0 n GLY 68 N 1.84 2.93 0.04 3.41 0.00 -1.22 -4.94 105.19 107.25 1wk0 n GLY 68 Ca -0.28 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 0.01 -1.89 1.61 1.57 -1.98 -2.94 116.57 112.95 1wk0 h LYS 69 Ca 0.00 -0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1wk0 h LYS 69 Cb 0.00 -0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.14 1wk0 h LYS 69 CO 0.00 0.10 0.37 -0.25 -0.57 0.00 0.00 179.45 179.10 1wk0 n ASP 70 N -5.04 6.44 0.00 0.86 8.00 -1.26 -4.80 116.55 120.74 1wk0 n ASP 70 Ca -0.07 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1wk0 n ASP 70 Cb 0.07 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 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 0.80 2.49 3.33 0.44 0.00 -1.11 -5.12 105.19 106.02 1wk0 n GLY 71 Ca 0.45 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 4.03 3.36 -0.03 1.61 2.47 -1.26 -5.05 119.74 124.88 1wk0 s LYS 72 Ca 0.00 -0.66 -0.02 0.00 -1.56 0.00 0.00 55.97 53.72 1wk0 s LYS 72 Cb 0.00 -2.80 -0.04 0.00 -1.46 0.00 0.00 37.83 33.53 1wk0 s LYS 72 CO 0.00 0.01 0.14 0.71 0.16 0.00 0.00 175.35 176.36 1wk0 s TYR 73 N 0.90 3.45 0.26 4.03 2.02 -1.26 -4.57 117.35 122.18 1wk0 s TYR 73 Ca -0.02 0.32 0.05 0.00 -0.37 0.00 0.00 57.07 57.06 1wk0 s TYR 73 Cb -0.15 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1wk0 s TYR 73 CO 0.00 0.62 -0.04 -1.59 -1.57 0.00 0.00 175.55 172.97 1wk0 s LYS 74 N -1.71 1.45 -0.31 -0.62 -2.85 -1.09 -4.95 119.74 109.66 1wk0 s LYS 74 Ca 0.24 -1.73 -0.12 0.00 -1.00 0.00 0.00 55.97 53.36 1wk0 s LYS 74 Cb -0.12 -0.93 -0.03 0.00 -2.06 0.00 0.00 37.83 34.69 1wk0 s LYS 74 CO 0.14 -0.01 0.20 -1.12 0.10 0.00 0.00 175.35 174.67 1wk0 s SER 75 N -3.38 5.95 -0.22 0.03 0.01 -1.26 -2.95 113.70 111.88 1wk0 s SER 75 Ca 0.29 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 57.22 1wk0 s SER 75 Cb 0.04 -2.11 -0.19 0.00 0.21 0.00 0.00 66.02 63.98 1wk0 s SER 75 CO 0.10 -0.15 -0.02 1.33 0.41 0.00 0.00 173.24 174.91 1wk0 n VAL 76 N 5.07 1.59 -4.11 3.43 0.24 -1.14 -5.00 118.33 118.40 1wk0 n VAL 76 Ca -0.13 -0.51 -0.14 0.00 -2.04 0.00 0.00 64.34 61.51 1wk0 n VAL 76 Cb 0.51 -1.66 -0.11 0.00 -1.47 0.00 0.00 33.84 31.11 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 -2.51 0.88 -0.27 6.34 6.14 -1.26 -4.91 117.35 121.76 1wk0 s TYR 77 Ca -0.31 -0.55 -0.02 0.00 0.64 0.00 0.00 57.07 56.84 1wk0 s TYR 77 Cb 0.09 -0.51 0.16 0.00 0.42 0.00 0.00 41.96 42.12 1wk0 s TYR 77 CO 0.63 -0.04 0.46 0.08 0.64 0.00 0.00 175.55 177.32 1wk0 s VAL 78 N -1.69 -0.76 0.00 3.14 1.01 -1.26 -2.30 120.40 118.54 1wk0 s VAL 78 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1wk0 s VAL 78 Cb -0.08 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1wk0 s VAL 78 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1wk0 n GLY 79 N 5.39 3.73 0.10 4.51 0.00 -0.99 -4.99 105.19 112.94 1wk0 n GLY 79 Ca -0.02 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 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 0.63 -1.70 1.61 4.71 -1.26 -0.76 120.64 123.86 1wk0 n GLU 80 Ca 0.00 0.10 -0.39 0.00 -0.01 0.00 0.00 57.16 56.86 1wk0 n GLU 80 Cb 0.00 -1.40 0.04 0.00 -1.01 0.00 0.00 31.44 29.07 1wk0 n GLU 80 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1wk0 n GLU 81 N -3.02 1.54 -0.00 3.49 0.28 -1.26 -4.65 120.64 117.01 1wk0 n GLU 81 Ca -0.34 0.57 -0.13 0.00 -0.16 0.00 0.00 57.16 57.10 1wk0 n GLU 81 Cb 0.90 -2.42 -0.10 0.00 1.43 0.00 0.00 31.44 31.25 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1wk0 h THR 82 N 1.35 1.31 -3.35 3.84 1.35 -1.94 -3.44 112.91 112.03 1wk0 h THR 82 Ca -0.49 -1.38 -0.57 0.00 -0.55 0.00 0.00 66.41 63.42 1wk0 h THR 82 Cb 1.32 2.19 -0.07 0.00 -1.73 0.00 0.00 68.15 69.86 1wk0 h THR 82 CO 0.56 0.34 0.23 0.21 -0.25 0.00 0.00 175.52 176.61 1wk0 s ASN 83 N -5.73 6.93 0.14 5.36 3.84 -1.26 -4.00 114.94 120.21 1wk0 s ASN 83 Ca -0.16 1.13 -0.04 0.00 0.21 0.00 0.00 52.86 54.00 1wk0 s ASN 83 Cb 0.00 -2.42 -0.03 0.00 -0.55 0.00 0.00 41.25 38.26 1wk0 s ASN 83 CO 0.62 -0.27 0.15 0.27 -2.79 0.00 0.00 177.10 175.08 1wk0 s ILE 84 N 1.59 0.09 -0.16 -5.21 -5.25 -0.79 -5.02 121.20 106.46 1wk0 s ILE 84 Ca 0.37 -1.67 -0.02 0.00 -0.99 0.00 0.00 60.65 58.33 1wk0 s ILE 84 Cb -0.17 -1.93 -0.02 0.00 2.95 0.00 0.00 42.46 43.29 1wk0 s ILE 84 CO 0.14 -0.41 -0.08 -0.89 -1.79 0.00 0.00 174.94 171.91 1wk0 s THR 85 N -4.01 3.44 0.55 8.37 2.01 -1.26 -1.37 115.64 123.37 1wk0 s THR 85 Ca 0.20 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 1wk0 s THR 85 Cb 0.06 -2.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 1wk0 s THR 85 CO 0.00 0.49 0.97 -0.76 -0.69 0.00 0.00 174.62 174.64 1wk0 s LEU 86 N 0.55 3.48 0.27 4.42 1.43 -0.92 -4.90 118.68 123.01 1wk0 s LEU 86 Ca -0.05 1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 54.38 1wk0 s LEU 86 Cb -0.15 -4.42 -0.00 0.00 0.03 0.00 0.00 46.19 41.65 1wk0 s LEU 86 CO 0.03 -0.69 0.46 0.20 0.23 0.00 0.00 176.35 176.58 1wk0 s ASN 87 N -3.59 0.11 -1.32 2.29 0.01 -1.26 -3.51 114.94 107.67 1wk0 s ASN 87 Ca 0.56 -1.08 -0.04 0.00 -0.71 0.00 0.00 52.86 51.59 1wk0 s ASN 87 Cb -0.10 0.59 0.00 0.00 0.41 0.00 0.00 41.25 42.15 1wk0 s ASN 87 CO 0.41 -1.16 0.55 0.47 -1.51 0.00 0.00 177.10 175.86 1wk0 n ASP 88 N -0.60 -5.50 -4.88 -1.22 8.00 -1.26 -5.01 116.55 106.09 1wk0 n ASP 88 Ca -0.01 -0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.02 1wk0 n ASP 88 Cb 0.62 -4.32 -0.03 0.00 -0.02 0.00 0.00 41.12 37.37 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wk0 s LEU 89 N -5.80 3.63 -0.21 0.64 1.43 -1.26 -5.11 118.68 112.00 1wk0 s LEU 89 Ca 0.27 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1wk0 s LEU 89 Cb -0.12 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1wk0 s LEU 89 CO 0.34 -0.41 0.10 -0.75 0.23 0.00 0.00 176.35 175.86 1wk0 s LYS 90 N -4.05 3.98 0.65 1.70 2.20 -1.26 -4.69 119.74 118.27 1wk0 s LYS 90 Ca 0.43 -0.33 -0.15 0.00 -0.36 0.00 0.00 55.97 55.56 1wk0 s LYS 90 Cb -0.06 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1wk0 s LYS 90 CO 0.28 0.14 1.11 -1.25 -0.36 0.00 0.00 175.35 175.27 1wk0 s PRO 91 N 0.78 2.85 -1.30 4.03 0.04 -1.25 -3.76 135.00 136.38 1wk0 s PRO 91 Ca 0.05 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 1wk0 s PRO 91 Cb -0.13 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1wk0 s PRO 91 CO 0.02 -1.22 1.12 0.00 0.04 0.00 0.00 177.00 176.96 1wk0 n ALA 92 N -2.32 -1.57 -2.14 8.56 0.00 -0.45 -4.90 120.51 117.69 1wk0 n ALA 92 Ca 0.10 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 1wk0 n ALA 92 Cb 0.52 -4.39 -0.10 0.00 0.00 0.00 0.00 19.45 15.48 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 -5.97 0.79 -0.18 0.00 0.00 -1.25 -4.98 119.30 107.71 1wk0 s MET 93 Ca 0.37 -1.32 -0.01 0.00 0.00 0.00 0.00 55.69 54.73 1wk0 s MET 93 Cb -0.17 0.02 0.05 0.00 0.00 0.00 0.00 34.83 34.73 1wk0 s MET 93 CO 0.73 -0.10 -0.03 -0.51 0.00 0.00 0.00 175.02 175.11 1wk0 s ASP 94 N -3.01 2.92 0.12 1.11 1.11 -1.26 -2.39 116.67 115.27 1wk0 s ASP 94 Ca 0.13 -0.73 0.01 0.00 0.18 0.00 0.00 52.55 52.14 1wk0 s ASP 94 Cb 0.07 -0.86 -0.04 0.00 1.07 0.00 0.00 42.92 43.15 1wk0 s ASP 94 CO -0.05 -0.22 -0.03 -0.72 1.18 0.00 0.00 175.17 175.33 1wk0 s TYR 95 N 1.66 0.95 0.20 4.23 1.13 -1.26 -4.93 117.35 119.33 1wk0 s TYR 95 Ca -0.00 -0.99 -0.13 0.00 -1.41 0.00 0.00 57.07 54.54 1wk0 s TYR 95 Cb -0.16 -0.55 -0.07 0.00 -1.10 0.00 0.00 41.96 40.07 1wk0 s TYR 95 CO -0.07 -0.22 0.58 -1.01 -2.51 0.00 0.00 175.55 172.32 1wk0 s HIS 96 N -3.70 3.51 0.01 -3.49 3.76 -1.26 -2.47 115.29 111.66 1wk0 s HIS 96 Ca 0.16 1.03 0.02 0.00 -0.15 0.00 0.00 55.06 56.13 1wk0 s HIS 96 Cb 0.06 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.37 1wk0 s HIS 96 CO -0.02 0.32 -0.07 0.00 -0.85 0.00 0.00 174.74 174.12 1wk0 s ALA 97 N -1.66 0.60 0.29 -1.40 0.00 -0.07 -3.38 121.76 116.14 1wk0 s ALA 97 Ca 0.44 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1wk0 s ALA 97 Cb -0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1wk0 s ALA 97 CO 0.20 0.09 0.19 0.15 0.00 0.00 0.00 175.76 176.39 1wk0 s LYS 98 N -0.67 1.56 -0.04 0.00 1.02 -0.65 0.11 119.74 121.07 1wk0 s LYS 98 Ca -0.01 -1.89 -0.02 0.00 0.02 0.00 0.00 55.97 54.07 1wk0 s LYS 98 Cb -0.05 0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 1wk0 s LYS 98 CO 0.00 -0.51 0.07 0.54 -0.92 0.00 0.00 175.35 174.53 1wk0 s VAL 99 N -3.68 -0.12 -0.13 3.17 0.11 -1.26 -1.99 120.40 116.50 1wk0 s VAL 99 Ca 0.38 0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 1wk0 s VAL 99 Cb 0.04 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.72 1wk0 s VAL 99 CO 0.20 0.18 -0.12 -1.58 -3.33 0.00 0.00 175.10 170.45 1wk0 s GLN 100 N 2.17 3.43 0.16 1.54 0.74 -0.40 -3.14 119.66 124.16 1wk0 s GLN 100 Ca 0.05 -0.66 -0.12 0.00 0.05 0.00 0.00 55.36 54.68 1wk0 s GLN 100 Cb -0.12 -2.68 -0.07 0.00 1.10 0.00 0.00 33.01 31.24 1wk0 s GLN 100 CO -0.03 0.21 0.52 0.00 -0.55 0.00 0.00 175.29 175.44 1wk0 s ALA 101 N 0.36 3.61 -0.08 1.58 0.00 -1.26 -0.32 121.76 125.66 1wk0 s ALA 101 Ca -0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 1wk0 s ALA 101 Cb -0.16 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 20.55 1wk0 s ALA 101 CO 0.05 0.49 0.19 -2.00 0.00 0.00 0.00 175.76 174.50 1wk0 s GLU 102 N -2.20 0.18 -0.09 0.00 2.12 0.19 -3.51 118.70 115.39 1wk0 s GLU 102 Ca 0.40 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.97 1wk0 s GLU 102 Cb -0.14 -0.03 0.03 0.00 0.26 0.00 0.00 34.13 34.25 1wk0 s GLU 102 CO 0.20 -0.10 0.29 -0.47 -0.54 0.00 0.00 175.26 174.64 1wk0 s TYR 103 N 0.66 -0.27 -1.48 5.30 6.14 -1.01 -0.47 117.35 126.22 1wk0 s TYR 103 Ca -0.05 0.63 -0.12 0.00 0.64 0.00 0.00 57.07 58.18 1wk0 s TYR 103 Cb -0.06 0.10 0.07 0.00 0.42 0.00 0.00 41.96 42.48 1wk0 s TYR 103 CO -0.04 -0.21 0.90 -1.71 0.64 0.00 0.00 175.55 175.14 1wk0 n ASN 104 N 2.52 -5.06 -2.12 4.32 5.15 -1.26 -0.44 115.26 118.37 1wk0 n ASN 104 Ca -0.15 -0.63 -0.18 0.00 -0.60 0.00 0.00 54.58 53.01 1wk0 n ASN 104 Cb 0.57 -4.05 -0.01 0.00 -0.53 0.00 0.00 39.78 35.77 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 -2.74 -5.36 -4.16 1.20 7.64 -1.26 -4.98 113.62 103.96 1wk0 n SER 105 Ca 0.01 -0.02 -0.34 0.00 1.01 0.00 0.00 58.87 59.53 1wk0 n SER 105 Cb 0.54 -4.42 -0.14 0.00 -1.01 0.00 0.00 64.21 59.18 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 -2.93 2.76 -0.18 0.44 1.01 0.42 -5.10 121.20 117.62 1wk0 s ILE 106 Ca 0.01 -1.32 -0.14 0.00 0.00 0.00 0.00 60.65 59.19 1wk0 s ILE 106 Cb -0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1wk0 s ILE 106 CO 0.01 0.02 0.32 -0.54 0.00 0.00 0.00 174.94 174.74 1wk0 s LYS 107 N 1.24 4.22 0.00 2.79 1.02 -1.26 -2.41 119.74 125.34 1wk0 s LYS 107 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1wk0 s LYS 107 Cb -0.19 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1wk0 s LYS 107 CO -0.03 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 1wk0 n GLY 108 N 3.63 0.96 3.28 -3.33 0.00 -1.23 -4.98 105.19 103.52 1wk0 n GLY 108 Ca -0.11 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 3.70 1.93 0.20 2.61 2.01 -1.26 -5.00 115.64 119.83 1wk0 s THR 109 Ca 0.00 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 1wk0 s THR 109 Cb 0.00 -1.60 -0.09 0.00 0.01 0.00 0.00 72.50 70.82 1wk0 s THR 109 CO 0.00 0.54 1.30 -2.16 -0.69 0.00 0.00 174.62 173.62 1wk0 s PRO 110 N -0.51 4.39 0.81 4.92 0.04 -1.26 -4.68 135.00 138.71 1wk0 s PRO 110 Ca 0.08 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 1wk0 s PRO 110 Cb -0.10 -3.20 0.21 0.00 0.04 0.00 0.00 34.50 31.46 1wk0 s PRO 110 CO -0.00 -0.24 0.48 -1.13 0.04 0.00 0.00 177.00 176.15 1wk0 n SER 111 N 2.60 -3.18 -3.16 6.66 3.41 -1.19 -4.96 113.62 113.79 1wk0 n SER 111 Ca 0.06 -0.49 -0.14 0.00 -0.26 0.00 0.00 58.87 58.04 1wk0 n SER 111 Cb 0.43 -0.55 0.13 0.00 -0.26 0.00 0.00 64.21 63.96 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 -4.10 -2.67 -3.98 4.33 -0.58 -1.26 -4.74 120.64 107.63 1wk0 n GLU 112 Ca 0.08 -0.65 -0.35 0.00 -0.42 0.00 0.00 57.16 55.82 1wk0 n GLU 112 Cb 0.33 -0.93 -0.09 0.00 -0.57 0.00 0.00 31.44 30.18 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 -2.05 3.50 -0.37 0.62 0.00 -1.26 -4.53 121.76 117.68 1wk0 s ALA 113 Ca 0.30 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1wk0 s ALA 113 Cb -0.05 -1.93 0.11 0.00 0.00 0.00 0.00 23.12 21.25 1wk0 s ALA 113 CO 0.25 0.27 0.09 -2.00 0.00 0.00 0.00 175.76 174.37 1wk0 s GLU 114 N 0.08 1.49 -0.08 0.00 2.56 0.12 -4.86 118.70 118.01 1wk0 s GLU 114 Ca 0.06 -1.94 -0.29 0.00 0.00 0.00 0.00 54.97 52.80 1wk0 s GLU 114 Cb -0.12 -3.12 -0.02 0.00 2.00 0.00 0.00 34.13 32.88 1wk0 s GLU 114 CO 0.00 -0.97 0.98 -1.50 -0.56 0.00 0.00 175.26 173.21 1wk0 s ILE 115 N 0.76 4.82 -0.08 -3.70 2.07 -1.26 -0.89 121.20 122.91 1wk0 s ILE 115 Ca 0.12 2.01 -0.00 0.00 -1.41 0.00 0.00 60.65 61.36 1wk0 s ILE 115 Cb -0.20 -4.30 0.02 0.00 0.13 0.00 0.00 42.46 38.12 1wk0 s ILE 115 CO -0.08 0.06 -0.06 0.72 -1.91 0.00 0.00 174.94 173.67 1wk0 s PHE 116 N 1.71 1.13 0.10 3.50 -0.12 -1.03 -4.98 117.98 118.28 1wk0 s PHE 116 Ca 0.48 -0.47 -0.27 0.00 -0.05 0.00 0.00 56.93 56.63 1wk0 s PHE 116 Cb -0.19 -1.00 -0.06 0.00 -0.63 0.00 0.00 43.02 41.14 1wk0 s PHE 116 CO 0.20 -0.38 0.83 0.99 -0.05 0.00 0.00 175.22 176.81 1wk0 s THR 117 N 1.52 4.57 0.18 -4.49 2.01 -1.26 -4.16 115.64 114.01 1wk0 s THR 117 Ca -0.00 1.79 0.04 0.00 0.31 0.00 0.00 61.69 63.83 1wk0 s THR 117 Cb -0.13 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 1wk0 s THR 117 CO -0.05 0.39 0.25 0.42 -0.69 0.00 0.00 174.62 174.95 1wk0 s THR 118 N -0.30 5.03 0.94 -0.82 -4.23 -1.00 -4.93 115.64 110.32 1wk0 s THR 118 Ca 0.40 -0.91 -0.14 0.00 -1.18 0.00 0.00 61.69 59.87 1wk0 s THR 118 Cb -0.22 -3.62 0.20 0.00 1.34 0.00 0.00 72.50 70.20 1wk0 s THR 118 CO 0.26 -0.16 1.29 -1.48 -0.54 0.00 0.00 174.62 173.99 1wk0 s LEU 119 N -3.40 2.77 0.38 4.79 2.34 -1.23 -2.65 118.68 121.68 1wk0 s LEU 119 Ca 0.33 0.13 -0.02 0.00 0.06 0.00 0.00 54.13 54.63 1wk0 s LEU 119 Cb -0.10 -2.16 -0.04 0.00 -0.56 0.00 0.00 46.19 43.33 1wk0 s LEU 119 CO 0.27 -2.69 0.61 -0.94 -1.06 0.00 0.00 176.35 172.54 1wk0 s SER 120 N -4.90 6.30 0.57 1.48 1.04 -1.26 -1.34 113.70 115.59 1wk0 s SER 120 Ca 0.74 0.60 0.20 0.00 0.48 0.00 0.00 55.95 57.97 1wk0 s SER 120 Cb -0.03 -2.10 1.10 0.00 0.10 0.00 0.00 66.02 65.08 1wk0 s SER 120 CO 0.52 -0.36 1.58 0.00 0.98 0.00 0.00 173.24 175.97 1wk0 s GLU 122 N -3.85 2.33 -1.05 0.00 2.02 -1.26 -5.04 118.70 111.85 1wk0 s GLU 122 Ca -0.02 -1.37 -0.24 0.00 0.02 0.00 0.00 54.97 53.36 1wk0 s GLU 122 Cb 0.06 -2.20 -0.07 0.00 0.10 0.00 0.00 34.13 32.02 1wk0 s GLU 122 CO 0.18 0.37 1.94 -1.25 0.02 0.00 0.00 175.26 176.53 1wk0 s PRO 123 N -3.61 2.51 -0.12 0.39 0.04 -1.26 -4.56 135.00 128.39 1wk0 s PRO 123 Ca 0.31 -0.73 -0.05 0.00 0.04 0.00 0.00 61.00 60.57 1wk0 s PRO 123 Cb -0.07 -5.15 -0.05 0.00 0.04 0.00 0.00 34.50 29.27 1wk0 s PRO 123 CO 0.20 -3.70 -0.15 -0.25 0.04 0.00 0.00 177.00 173.14 1wk0 n ASP 124 N 14.23 1.10 0.13 6.66 9.92 -1.26 -4.75 116.55 142.58 1wk0 n ASP 124 Ca 0.43 0.12 -0.15 0.00 -0.53 0.00 0.00 54.79 54.65 1wk0 n ASP 124 Cb 0.47 -0.33 -0.08 0.00 -0.64 0.00 0.00 41.12 40.54 1wk0 n ASP 124 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1wk0 h ILE 125 N -0.37 0.11 -1.68 0.53 1.08 -1.94 -3.43 117.51 111.82 1wk0 h ILE 125 Ca -0.29 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.14 1wk0 h ILE 125 Cb 1.28 0.11 0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1wk0 h ILE 125 CO -0.16 0.00 0.01 -0.81 -0.69 0.00 0.00 178.15 176.50 1wk0 n PRO 126 N -5.48 -1.24 -4.32 2.37 -0.04 -1.26 -5.09 135.00 119.95 1wk0 n PRO 126 Ca -0.08 -0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 62.99 1wk0 n PRO 126 Cb 0.39 -0.16 -0.11 0.00 -0.04 0.00 0.00 33.50 33.58 1wk0 n PRO 126 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wk0 s ASN 127 N -1.80 2.64 0.23 3.54 4.22 -1.26 -5.07 114.94 117.44 1wk0 s ASN 127 Ca 0.07 -0.82 -0.30 0.00 -2.14 0.00 0.00 52.86 49.67 1wk0 s ASN 127 Cb -0.01 -0.15 -0.09 0.00 1.28 0.00 0.00 41.25 42.28 1wk0 s ASN 127 CO 0.05 -0.02 1.28 -2.16 -2.04 0.00 0.00 177.10 174.22 1wk0 s PRO 128 N -2.61 4.41 -0.35 3.55 0.04 -1.26 -4.95 135.00 133.83 1wk0 s PRO 128 Ca 0.14 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.94 1wk0 s PRO 128 Cb -0.07 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1wk0 s PRO 128 CO 0.06 -0.19 1.70 -1.25 0.04 0.00 0.00 177.00 177.37 1wk0 s PRO 129 N -0.55 3.39 0.61 0.56 0.04 -1.26 -5.00 135.00 132.80 1wk0 s PRO 129 Ca 0.54 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 1wk0 s PRO 129 Cb -0.36 -4.16 0.01 0.00 0.04 0.00 0.00 34.50 30.03 1wk0 s PRO 129 CO 0.41 -1.79 0.94 1.03 0.04 0.00 0.00 177.00 177.62 1wk0 s ARG 130 N 5.49 2.95 -0.04 4.56 1.81 -1.26 -5.01 118.95 127.44 1wk0 s ARG 130 Ca 0.75 0.11 0.07 0.00 -1.72 0.00 0.00 55.73 54.94 1wk0 s ARG 130 Cb -0.20 -2.22 0.10 0.00 -0.45 0.00 0.00 34.95 32.17 1wk0 s ARG 130 CO 0.33 -0.74 1.00 0.44 -0.68 0.00 0.00 175.30 175.65 1wk0 n ILE 131 N -2.65 1.12 -3.74 1.52 -6.64 -1.26 -5.01 119.36 102.69 1wk0 n ILE 131 Ca 0.05 -1.25 -0.13 0.00 -1.77 0.00 0.00 62.75 59.65 1wk0 n ILE 131 Cb 0.57 0.30 -0.14 0.00 -1.44 0.00 0.00 39.64 38.94 1wk0 n ILE 131 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1wk0 s SER 132 N -1.54 -0.18 0.00 7.28 0.15 -1.26 -5.10 113.70 113.05 1wk0 s SER 132 Ca 0.11 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1wk0 s SER 132 Cb 0.10 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wk0 s SER 132 CO 0.01 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wk0 n GLY 133 N 4.13 1.19 3.71 9.45 0.00 -1.26 -5.10 105.19 117.31 1wk0 n GLY 133 Ca -0.25 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 0.51 4.32 -0.13 1.61 0.04 -1.26 -4.92 135.00 135.17 1wk0 s PRO 134 Ca 0.00 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 1wk0 s PRO 134 Cb 0.00 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1wk0 s PRO 134 CO 0.00 -0.45 -0.15 0.45 0.04 0.00 0.00 177.00 176.88 1wk0 n SER 135 N 4.25 1.54 -4.58 6.66 2.88 -1.26 -4.93 113.62 118.19 1wk0 n SER 135 Ca 0.12 0.10 -0.42 0.00 -1.33 0.00 0.00 58.87 57.34 1wk0 n SER 135 Cb 0.43 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1wk0 n SER 135 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wk0 s SER 136 N -5.92 6.02 0.00 -3.46 0.15 -1.26 -5.33 113.70 103.90 1wk0 s SER 136 Ca -0.18 0.65 0.32 0.00 0.70 0.00 0.00 55.95 57.44 1wk0 s SER 136 Cb 0.06 -2.54 1.88 0.00 -1.71 0.00 0.00 66.02 63.72 1wk0 s SER 136 CO 0.25 -1.72 2.21 0.61 1.20 0.00 0.00 173.24 175.79