#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 4.37 -0.15 1.61 0.15 -1.26 -5.07 113.70 113.36 1wk0 s SER 2 Ca 0.00 -0.48 -0.12 0.00 0.70 0.00 0.00 55.95 56.05 1wk0 s SER 2 Cb 0.00 -0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 1wk0 s SER 2 CO 0.00 0.13 -0.24 -0.24 1.20 0.00 0.00 173.24 174.09 1wk0 n SER 3 N 0.28 1.79 -3.62 5.45 2.88 -1.26 -5.04 113.62 114.11 1wk0 n SER 3 Ca -0.12 0.50 -0.04 0.00 -1.33 0.00 0.00 58.87 57.88 1wk0 n SER 3 Cb 0.54 -0.81 -0.06 0.00 -0.75 0.00 0.00 64.21 63.13 1wk0 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wk0 s GLY 4 N -4.45 -0.42 -0.18 0.46 0.00 -1.26 -5.15 107.32 96.33 1wk0 s GLY 4 Ca -0.20 2.69 -0.06 0.00 0.00 0.00 0.00 44.72 47.15 1wk0 s GLY 4 CO 0.29 2.64 0.02 -1.35 0.00 0.00 0.00 173.10 174.71 1wk0 s SER 5 N 1.82 5.25 0.45 1.64 1.04 -1.26 -5.11 113.70 117.54 1wk0 s SER 5 Ca -0.08 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1wk0 s SER 5 Cb -0.06 -1.89 0.01 0.00 0.10 0.00 0.00 66.02 64.18 1wk0 s SER 5 CO -0.18 0.16 0.65 -0.44 0.98 0.00 0.00 173.24 174.41 1wk0 s SER 6 N 0.46 5.69 0.00 7.02 0.01 -1.26 -5.05 113.70 120.56 1wk0 s SER 6 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wk0 s SER 6 Cb -0.13 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1wk0 s SER 6 CO 0.02 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1wk0 n GLY 7 N -2.04 3.58 0.57 3.44 0.00 -1.26 -5.10 105.19 104.38 1wk0 n GLY 7 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1wk0 n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wk0 n ASP 8 N 0.00 0.89 -0.35 1.61 5.68 -1.26 -4.76 116.55 118.37 1wk0 n ASP 8 Ca 0.00 0.00 0.33 0.00 -0.50 0.00 0.00 54.79 54.62 1wk0 n ASP 8 Cb 0.00 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 40.58 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wk0 n GLU 9 N -2.12 -0.05 -0.05 0.11 -0.58 -1.26 0.11 120.64 116.79 1wk0 n GLU 9 Ca 0.00 1.33 -0.12 0.00 -0.42 0.00 0.00 57.16 57.95 1wk0 n GLU 9 Cb 0.17 -2.43 -0.07 0.00 -0.57 0.00 0.00 31.44 28.54 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wk0 h GLU 10 N 0.00 0.28 -0.39 3.49 5.08 -2.01 -3.01 114.58 118.01 1wk0 h GLU 10 Ca 0.84 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 59.12 1wk0 h GLU 10 Cb 2.34 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.54 1wk0 h GLU 10 CO -0.69 0.57 0.20 1.15 -1.00 0.00 0.00 179.01 179.24 1wk0 h THR 11 N -0.03 0.98 -0.45 1.13 2.02 0.47 -2.50 112.91 114.53 1wk0 h THR 11 Ca 0.04 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1wk0 h THR 11 Cb 0.47 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 67.34 1wk0 h THR 11 CO 0.02 0.07 -0.13 0.11 0.37 0.00 0.00 175.52 175.96 1wk0 h LYS 12 N 0.40 -0.02 -0.44 6.66 1.57 -1.15 0.16 116.57 123.75 1wk0 h LYS 12 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1wk0 h LYS 12 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1wk0 h LYS 12 CO -0.12 -0.02 0.30 0.00 -0.57 0.00 0.00 179.45 179.04 1wk0 h ALA 13 N 1.40 1.88 -0.08 3.86 0.00 -1.34 -1.46 119.26 123.53 1wk0 h ALA 13 Ca 0.22 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 1wk0 h ALA 13 Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wk0 h ALA 13 CO -0.47 0.05 -0.74 0.74 0.00 0.00 0.00 179.25 178.82 1wk0 h PHE 14 N 0.42 0.61 -0.14 0.00 0.04 -0.38 0.26 116.94 117.76 1wk0 h PHE 14 Ca 0.19 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1wk0 h PHE 14 Cb 0.21 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1wk0 h PHE 14 CO -0.00 1.04 -0.07 0.93 -0.60 0.00 0.00 178.31 179.61 1wk0 h GLU 15 N 0.31 0.20 0.04 1.51 5.08 0.19 0.66 114.58 122.57 1wk0 h GLU 15 Ca -0.04 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 57.95 1wk0 h GLU 15 Cb 1.33 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1wk0 h GLU 15 CO 0.13 0.29 -1.90 0.00 -1.00 0.00 0.00 179.01 176.53 1wk0 n ALA 16 N -2.50 0.98 0.25 3.43 0.00 -1.01 -3.81 120.51 117.85 1wk0 n ALA 16 Ca -0.01 -0.71 -0.16 0.00 0.00 0.00 0.00 53.44 52.56 1wk0 n ALA 16 Cb 0.21 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.51 -0.49 -2.18 0.00 5.85 -0.45 -2.09 115.31 115.44 1wk0 h LEU 17 Ca -0.47 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.32 1wk0 h LEU 17 Cb 1.68 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 1wk0 h LEU 17 CO -0.13 -0.33 0.22 -0.07 -0.34 0.00 0.00 178.44 177.78 1wk0 h LEU 18 N -0.61 0.00 -3.83 2.25 3.38 -1.06 0.16 115.31 115.60 1wk0 h LEU 18 Ca -0.06 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.55 1wk0 h LEU 18 Cb 0.46 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.00 1wk0 h LEU 18 CO 0.10 0.00 0.43 -1.20 0.09 0.00 0.00 178.44 177.86 1wk0 n SER 19 N -3.91 4.11 -0.74 -0.43 7.64 -0.84 -4.15 113.62 115.30 1wk0 n SER 19 Ca 0.02 -3.46 0.03 0.00 1.01 0.00 0.00 58.87 56.48 1wk0 n SER 19 Cb 0.35 -0.78 0.19 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.73 2.01 -4.97 6.43 5.15 0.54 -4.85 115.26 118.84 1wk0 n ASN 20 Ca 0.50 -3.88 -0.21 0.00 -0.60 0.00 0.00 54.58 50.39 1wk0 n ASN 20 Cb 1.50 -0.51 0.03 0.00 -0.53 0.00 0.00 39.78 40.27 1wk0 n ASN 20 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1wk0 s ILE 21 N -3.34 3.10 -0.14 -1.44 -0.00 -1.26 -1.92 121.20 116.20 1wk0 s ILE 21 Ca 0.39 -0.65 -0.05 0.00 -0.00 0.00 0.00 60.65 60.34 1wk0 s ILE 21 Cb 0.37 -3.15 -0.04 0.00 -0.00 0.00 0.00 42.46 39.65 1wk0 s ILE 21 CO -0.06 -0.10 0.04 -0.69 -0.00 0.00 0.00 174.94 174.13 1wk0 s VAL 22 N -2.66 4.60 0.33 8.37 1.01 -1.25 -4.84 120.40 125.97 1wk0 s VAL 22 Ca 0.54 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 1wk0 s VAL 22 Cb -0.10 -3.02 -0.14 0.00 0.00 0.00 0.00 36.38 33.12 1wk0 s VAL 22 CO 0.38 0.53 0.70 2.29 0.00 0.00 0.00 175.10 178.99 1wk0 n LYS 23 N 2.93 0.71 -2.26 2.72 2.85 -1.26 -4.20 118.16 119.64 1wk0 n LYS 23 Ca -0.18 0.25 -0.35 0.00 -1.05 0.00 0.00 58.31 56.98 1wk0 n LYS 23 Cb 0.53 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.44 3.41 -0.16 -1.58 0.04 -1.26 -4.77 135.00 129.24 1wk0 s PRO 24 Ca 0.62 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1wk0 s PRO 24 Cb -0.71 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1wk0 s PRO 24 CO 0.58 -0.81 -0.03 0.08 0.04 0.00 0.00 177.00 176.87 1wk0 s VAL 25 N -1.75 3.97 -0.22 -0.36 1.01 -0.21 -4.81 120.40 118.04 1wk0 s VAL 25 Ca 0.72 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 1wk0 s VAL 25 Cb -0.24 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1wk0 s VAL 25 CO 0.28 0.49 0.66 0.00 0.00 0.00 0.00 175.10 176.53 1wk0 s ALA 26 N 0.33 3.58 0.27 5.51 0.00 -1.26 -2.29 121.76 127.89 1wk0 s ALA 26 Ca -0.03 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1wk0 s ALA 26 Cb -0.14 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1wk0 s ALA 26 CO 0.03 -0.70 0.11 -1.54 0.00 0.00 0.00 175.76 173.66 1wk0 s SER 27 N 1.32 1.21 -0.64 0.00 1.04 -0.37 -4.82 113.70 111.44 1wk0 s SER 27 Ca 0.29 -1.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.21 1wk0 s SER 27 Cb -0.16 0.23 0.08 0.00 0.10 0.00 0.00 66.02 66.27 1wk0 s SER 27 CO 0.09 -0.77 0.20 -0.67 0.98 0.00 0.00 173.24 173.07 1wk0 n ASP 28 N -0.56 -1.16 -4.63 7.02 -0.08 -1.26 -1.63 116.55 114.25 1wk0 n ASP 28 Ca 0.00 -0.16 -0.47 0.00 -1.51 0.00 0.00 54.79 52.65 1wk0 n ASP 28 Cb 0.66 -1.08 -0.04 0.00 2.34 0.00 0.00 41.12 43.00 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1wk0 n ILE 29 N -2.74 0.55 -4.36 5.18 5.41 -1.26 -4.34 119.36 117.80 1wk0 n ILE 29 Ca 0.04 -0.14 -0.15 0.00 1.00 0.00 0.00 62.75 63.50 1wk0 n ILE 29 Cb 0.42 -1.23 -0.03 0.00 -0.71 0.00 0.00 39.64 38.09 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 2.38 1.38 -0.00 0.38 6.02 0.24 -4.78 117.38 123.00 1wk0 n GLN 30 Ca 0.15 -1.77 -0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1wk0 n GLN 30 Cb 0.27 0.50 -0.00 0.00 1.02 0.00 0.00 30.24 32.03 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 -2.22 -0.01 -0.01 -1.58 0.00 -1.26 -3.40 120.51 112.04 1wk0 n ALA 31 Ca -0.10 0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 1wk0 n ALA 31 Cb 0.31 0.46 -0.02 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.96 1.97 -3.45 0.00 1.74 -1.26 -3.94 116.66 108.76 1wk0 n ARG 32 Ca 0.00 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 1wk0 n ARG 32 Cb 0.00 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.12 5.06 0.16 0.55 -4.23 -1.26 -4.00 115.64 109.80 1wk0 s THR 33 Ca -0.01 0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 60.33 1wk0 s THR 33 Cb 0.01 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.19 1wk0 s THR 33 CO 0.11 -0.22 0.50 0.68 -0.54 0.00 0.00 174.62 175.15 1wk0 s VAL 34 N -1.96 0.04 -0.44 2.29 -7.23 -1.24 0.81 120.40 112.66 1wk0 s VAL 34 Ca 0.43 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.99 1wk0 s VAL 34 Cb -0.11 -1.22 0.04 0.00 0.56 0.00 0.00 36.38 35.65 1wk0 s VAL 34 CO 0.28 -0.16 0.38 -0.69 -0.31 0.00 0.00 175.10 174.60 1wk0 s VAL 35 N -3.81 5.20 -0.37 1.32 1.01 -0.65 -1.36 120.40 121.74 1wk0 s VAL 35 Ca 0.04 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1wk0 s VAL 35 Cb 0.00 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1wk0 s VAL 35 CO -0.10 -0.46 0.22 -0.22 0.00 0.00 0.00 175.10 174.54 1wk0 s LEU 36 N 1.81 4.67 -0.14 3.92 2.96 -0.34 -1.23 118.68 130.33 1wk0 s LEU 36 Ca 0.07 -0.85 0.02 0.00 -0.22 0.00 0.00 54.13 53.15 1wk0 s LEU 36 Cb -0.21 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1wk0 s LEU 36 CO 0.10 -0.35 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.69 1wk0 s THR 37 N 1.60 2.29 0.07 3.68 2.01 -0.97 -1.60 115.64 122.73 1wk0 s THR 37 Ca 0.03 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1wk0 s THR 37 Cb -0.19 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1wk0 s THR 37 CO 0.08 0.54 -0.10 -1.66 -0.69 0.00 0.00 174.62 172.78 1wk0 s TRP 38 N 0.72 0.98 0.27 4.92 -2.14 -1.02 -1.05 118.94 121.62 1wk0 s TRP 38 Ca -0.09 -0.57 -0.03 0.00 2.66 0.00 0.00 56.10 58.07 1wk0 s TRP 38 Cb -0.16 -0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 29.61 1wk0 s TRP 38 CO 0.01 -0.02 0.51 -1.12 -2.66 0.00 0.00 176.95 173.67 1wk0 s SER 39 N -2.04 6.40 0.84 -2.66 0.01 -1.26 -4.70 113.70 110.29 1wk0 s SER 39 Ca -0.01 0.58 -0.11 0.00 1.31 0.00 0.00 55.95 57.73 1wk0 s SER 39 Cb -0.06 -2.09 0.09 0.00 0.21 0.00 0.00 66.02 64.17 1wk0 s SER 39 CO 0.00 -0.17 1.09 -2.16 0.41 0.00 0.00 173.24 172.42 1wk0 s PRO 40 N -3.60 1.74 0.56 12.44 0.04 -1.26 -3.74 135.00 141.18 1wk0 s PRO 40 Ca 0.42 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 1wk0 s PRO 40 Cb -0.11 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1wk0 s PRO 40 CO 0.31 -1.95 1.13 -1.25 0.04 0.00 0.00 177.00 175.27 1wk0 s PRO 41 N -4.92 3.28 -0.21 0.56 0.04 -1.26 -4.55 135.00 127.94 1wk0 s PRO 41 Ca 0.62 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 1wk0 s PRO 41 Cb -0.18 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1wk0 s PRO 41 CO 0.56 -0.90 0.34 0.45 0.04 0.00 0.00 177.00 177.49 1wk0 s SER 42 N -1.88 6.36 -0.13 6.66 0.15 -0.81 -4.92 113.70 119.13 1wk0 s SER 42 Ca 0.72 0.42 -0.29 0.00 0.70 0.00 0.00 55.95 57.50 1wk0 s SER 42 Cb -0.23 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.87 1wk0 s SER 42 CO 0.29 -0.04 1.04 -0.94 1.20 0.00 0.00 173.24 174.79 1wk0 s SER 43 N 1.03 7.18 -0.18 5.45 1.04 -1.26 -4.80 113.70 122.16 1wk0 s SER 43 Ca 0.16 1.53 0.16 0.00 0.48 0.00 0.00 55.95 58.29 1wk0 s SER 43 Cb -0.14 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.19 1wk0 s SER 43 CO 0.07 -0.52 1.68 0.18 0.98 0.00 0.00 173.24 175.63 1wk0 n LEU 44 N 5.37 5.22 0.17 2.42 4.77 -1.26 -4.49 117.00 129.21 1wk0 n LEU 44 Ca 0.10 -2.71 0.09 0.00 -0.03 0.00 0.00 56.01 53.46 1wk0 n LEU 44 Cb 0.48 -0.63 0.48 0.00 -2.33 0.00 0.00 43.42 41.41 1wk0 n LEU 44 CO 0.52 0.72 0.83 0.40 -1.33 0.00 0.00 177.39 178.53 1wk0 h ILE 45 N 3.96 0.00 -0.81 -0.08 1.08 -1.98 -3.44 117.51 116.23 1wk0 h ILE 45 Ca 0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.34 1wk0 h ILE 45 Cb 1.72 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 1wk0 h ILE 45 CO 0.36 0.00 -0.16 -3.20 -0.69 0.00 0.00 178.15 174.46 1wk0 n ASN 46 N -2.17 -2.83 0.00 1.72 5.15 -1.26 -2.76 115.26 113.10 1wk0 n ASN 46 Ca -0.01 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1wk0 n ASN 46 Cb 0.21 -1.90 0.00 0.00 -0.53 0.00 0.00 39.78 37.56 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 -1.26 1.49 0.54 8.20 0.00 -1.26 -4.82 105.19 108.08 1wk0 n GLY 47 Ca -0.08 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.28 1wk0 n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wk0 h GLU 48 N 1.60 0.00 -6.15 1.61 4.81 -1.91 -3.40 114.58 111.15 1wk0 h GLU 48 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1wk0 h GLU 48 Cb 0.00 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.29 1wk0 h GLU 48 CO 0.00 0.00 -0.61 -0.08 -0.73 0.00 0.00 179.01 177.59 1wk0 s THR 49 N -4.73 3.25 0.53 0.32 -1.32 -1.26 -5.10 115.64 107.33 1wk0 s THR 49 Ca -0.04 -1.85 -0.22 0.00 -1.21 0.00 0.00 61.69 58.37 1wk0 s THR 49 Cb 0.20 -2.89 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1wk0 s THR 49 CO 0.68 -0.30 1.38 0.47 -2.21 0.00 0.00 174.62 174.64 1wk0 n ASP 50 N -0.98 2.85 0.25 8.08 8.00 -1.26 -4.88 116.55 128.60 1wk0 n ASP 50 Ca -0.05 1.01 0.09 0.00 0.71 0.00 0.00 54.79 56.54 1wk0 n ASP 50 Cb 0.60 -1.59 0.66 0.00 -0.02 0.00 0.00 41.12 40.77 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wk0 h GLU 51 N 1.60 0.00 -1.08 -1.24 5.08 -1.99 -2.19 114.58 114.77 1wk0 h GLU 51 Ca -0.51 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.23 1wk0 h GLU 51 Cb 1.30 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 1wk0 h GLU 51 CO 0.58 0.08 0.80 0.43 -1.00 0.00 0.00 179.01 179.90 1wk0 n SER 52 N -4.22 7.42 -0.04 1.42 7.64 -1.26 -4.41 113.62 120.17 1wk0 n SER 52 Ca -0.03 -3.67 -0.09 0.00 1.01 0.00 0.00 58.87 56.09 1wk0 n SER 52 Cb 0.16 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 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 -0.73 1.39 -4.66 6.43 2.88 -0.82 -4.99 113.62 113.11 1wk0 n SER 53 Ca 0.58 0.22 -0.49 0.00 -1.33 0.00 0.00 58.87 57.86 1wk0 n SER 53 Cb 0.67 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 63.57 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 -3.90 0.16 -1.31 2.46 0.24 -1.26 -4.94 118.33 109.77 1wk0 n VAL 54 Ca -0.16 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.34 61.80 1wk0 n VAL 54 Cb 0.44 -1.45 0.09 0.00 -1.47 0.00 0.00 33.84 31.45 1wk0 n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wk0 s PRO 55 N 1.74 2.31 -0.16 7.34 0.04 -1.26 -4.99 135.00 140.02 1wk0 s PRO 55 Ca 0.85 1.19 0.15 0.00 0.04 0.00 0.00 61.00 63.22 1wk0 s PRO 55 Cb -0.77 -1.90 0.35 0.00 0.04 0.00 0.00 34.50 32.22 1wk0 s PRO 55 CO 0.45 -1.61 1.18 -0.85 0.04 0.00 0.00 177.00 176.21 1wk0 n GLU 56 N -3.42 1.35 -0.70 4.56 -0.00 -1.26 -4.66 120.64 116.52 1wk0 n GLU 56 Ca 0.09 -2.85 0.00 0.00 -0.00 0.00 0.00 57.16 54.40 1wk0 n GLU 56 Cb 0.53 -1.48 0.24 0.00 -0.00 0.00 0.00 31.44 30.73 1wk0 n GLU 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1wk0 n LEU 57 N -1.19 4.40 -4.53 -1.84 7.99 -1.26 -4.96 117.00 115.61 1wk0 n LEU 57 Ca 0.17 -3.37 -0.36 0.00 -0.01 0.00 0.00 56.01 52.44 1wk0 n LEU 57 Cb 0.68 -0.62 -0.07 0.00 -0.11 0.00 0.00 43.42 43.30 1wk0 n LEU 57 CO -0.01 0.93 2.05 -1.22 -1.51 0.00 0.00 177.39 177.62 1wk0 n TYR 58 N -0.75 1.13 -1.45 -1.77 4.01 -1.26 -4.80 117.16 112.28 1wk0 n TYR 58 Ca 0.30 0.18 -0.49 0.00 -0.16 0.00 0.00 57.90 57.74 1wk0 n TYR 58 Cb 1.05 -2.51 -0.08 0.00 -0.31 0.00 0.00 39.34 37.50 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 6.18 0.37 3.67 2.72 0.00 0.20 -4.63 105.19 113.70 1wk0 n GLY 59 Ca 0.47 0.93 -0.37 0.00 0.00 0.00 0.00 46.02 47.05 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 7.77 3.34 -0.16 1.61 2.02 0.10 -0.23 117.35 131.81 1wk0 s TYR 60 Ca 1.11 0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 58.20 1wk0 s TYR 60 Cb -0.86 -2.38 -0.01 0.00 -0.40 0.00 0.00 41.96 38.31 1wk0 s TYR 60 CO 0.48 0.04 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.38 1wk0 s GLU 61 N 1.15 3.32 -0.33 -0.62 2.12 0.09 -2.19 118.70 122.25 1wk0 s GLU 61 Ca 0.13 -0.69 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 1wk0 s GLU 61 Cb -0.14 -2.71 0.00 0.00 0.26 0.00 0.00 34.13 31.54 1wk0 s GLU 61 CO 0.06 0.05 0.73 0.08 -0.54 0.00 0.00 175.26 175.64 1wk0 s VAL 62 N 0.76 4.82 -0.03 3.70 1.01 0.28 -1.46 120.40 129.49 1wk0 s VAL 62 Ca -0.05 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 1wk0 s VAL 62 Cb -0.15 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1wk0 s VAL 62 CO 0.01 -0.29 0.03 -0.76 0.00 0.00 0.00 175.10 174.10 1wk0 s LEU 63 N 2.89 3.70 -0.01 3.92 1.43 -0.07 -2.20 118.68 128.34 1wk0 s LEU 63 Ca 0.30 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1wk0 s LEU 63 Cb -0.14 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1wk0 s LEU 63 CO 0.14 0.31 0.09 0.27 0.23 0.00 0.00 176.35 177.38 1wk0 s ILE 64 N -1.07 0.06 -0.15 -0.59 -4.36 -0.67 -1.65 121.20 112.76 1wk0 s ILE 64 Ca 0.19 -0.47 -0.04 0.00 -0.26 0.00 0.00 60.65 60.07 1wk0 s ILE 64 Cb -0.12 -0.28 0.06 0.00 1.25 0.00 0.00 42.46 43.37 1wk0 s ILE 64 CO 0.09 -0.26 0.09 -0.55 0.24 0.00 0.00 174.94 174.55 1wk0 s SER 65 N -0.83 2.13 -0.05 4.36 0.15 -1.22 0.77 113.70 119.01 1wk0 s SER 65 Ca -0.09 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.13 1wk0 s SER 65 Cb -0.05 -0.22 0.26 0.00 -1.71 0.00 0.00 66.02 64.30 1wk0 s SER 65 CO 0.00 -0.33 1.05 -1.54 1.20 0.00 0.00 173.24 173.62 1wk0 n SER 66 N 5.28 2.12 -0.04 5.45 3.41 -1.26 -3.62 113.62 124.96 1wk0 n SER 66 Ca -0.06 -2.18 -0.04 0.00 -0.26 0.00 0.00 58.87 56.32 1wk0 n SER 66 Cb 0.49 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 1wk0 n SER 66 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1wk0 n THR 67 N 0.24 0.51 0.00 6.66 5.66 -1.26 -5.05 114.28 121.05 1wk0 n THR 67 Ca 0.09 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1wk0 n THR 67 Cb 0.43 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 1wk0 n THR 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wk0 n GLY 68 N 2.61 -0.14 0.31 1.09 0.00 -1.24 -4.89 105.19 102.94 1wk0 n GLY 68 Ca -0.13 -1.11 0.14 0.00 0.00 0.00 0.00 46.02 44.92 1wk0 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wk0 n LYS 69 N -0.56 1.33 -0.02 1.61 2.85 -1.26 -3.95 118.16 118.15 1wk0 n LYS 69 Ca 0.00 -0.63 -0.03 0.00 -1.05 0.00 0.00 58.31 56.60 1wk0 n LYS 69 Cb 0.00 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.87 1wk0 n LYS 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wk0 n ASP 70 N -0.28 3.85 -3.16 -5.58 8.00 -1.26 -5.06 116.55 113.06 1wk0 n ASP 70 Ca 0.19 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1wk0 n ASP 70 Cb 0.29 0.30 0.12 0.00 -0.02 0.00 0.00 41.12 41.81 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 2.98 -3.14 3.76 0.44 0.00 -1.25 -4.93 105.19 103.05 1wk0 n GLY 71 Ca -0.07 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.48 4.70 0.53 1.61 2.47 -1.26 -4.93 119.74 119.39 1wk0 s LYS 72 Ca 0.28 1.57 0.07 0.00 -1.56 0.00 0.00 55.97 56.33 1wk0 s LYS 72 Cb -0.05 -3.14 0.09 0.00 -1.46 0.00 0.00 37.83 33.28 1wk0 s LYS 72 CO 0.23 0.34 0.73 0.66 0.16 0.00 0.00 175.35 177.48 1wk0 n TYR 73 N 1.16 -2.48 -4.07 4.03 4.02 -1.26 -4.65 117.16 113.90 1wk0 n TYR 73 Ca -0.01 -1.81 -0.13 0.00 -0.01 0.00 0.00 57.90 55.94 1wk0 n TYR 73 Cb 0.47 -0.51 -0.11 0.00 -0.02 0.00 0.00 39.34 39.16 1wk0 n TYR 73 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1wk0 s LYS 74 N -4.39 0.56 -0.15 -0.72 2.20 0.23 -4.85 119.74 112.62 1wk0 s LYS 74 Ca 0.54 -0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 55.15 1wk0 s LYS 74 Cb -0.04 -0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 35.91 1wk0 s LYS 74 CO 0.35 0.06 0.69 0.45 -0.36 0.00 0.00 175.35 176.53 1wk0 s SER 75 N -1.61 6.83 -0.08 1.43 0.15 -1.26 -1.67 113.70 117.48 1wk0 s SER 75 Ca -0.09 1.00 -0.01 0.00 0.70 0.00 0.00 55.95 57.56 1wk0 s SER 75 Cb -0.10 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1wk0 s SER 75 CO 0.01 -0.24 -0.08 1.33 1.20 0.00 0.00 173.24 175.45 1wk0 n VAL 76 N 4.40 0.45 -3.85 4.45 0.24 -0.93 -5.03 118.33 118.05 1wk0 n VAL 76 Ca -0.00 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1wk0 n VAL 76 Cb 0.50 -0.98 -0.15 0.00 -1.47 0.00 0.00 33.84 31.74 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 -2.15 0.05 -0.23 6.34 6.14 -1.25 -4.94 117.35 121.31 1wk0 s TYR 77 Ca -0.11 0.04 -0.04 0.00 0.64 0.00 0.00 57.07 57.60 1wk0 s TYR 77 Cb 0.03 -0.12 0.09 0.00 0.42 0.00 0.00 41.96 42.38 1wk0 s TYR 77 CO 0.17 -0.04 0.15 0.08 0.64 0.00 0.00 175.55 176.55 1wk0 s VAL 78 N 0.43 -0.16 0.00 3.14 1.01 -1.26 -0.55 120.40 123.00 1wk0 s VAL 78 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1wk0 s VAL 78 Cb -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1wk0 s VAL 78 CO -0.01 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.27 1wk0 n GLY 79 N 5.28 3.66 0.04 4.51 0.00 -0.93 -4.98 105.19 112.77 1wk0 n GLY 79 Ca -0.06 -0.66 -0.04 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 2.70 -0.80 1.61 4.71 -1.26 0.00 120.64 127.60 1wk0 n GLU 80 Ca 0.00 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.81 1wk0 n GLU 80 Cb 0.00 -1.20 0.12 0.00 -1.01 0.00 0.00 31.44 29.35 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 -2.29 -0.57 -0.11 3.49 -0.58 -1.26 -4.72 120.64 114.58 1wk0 n GLU 81 Ca -0.13 -0.14 -0.14 0.00 -0.42 0.00 0.00 57.16 56.34 1wk0 n GLU 81 Cb 0.75 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.82 1wk0 n GLU 81 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wk0 n THR 82 N -3.66 1.41 -4.04 2.62 -2.24 -1.26 -4.78 114.28 102.31 1wk0 n THR 82 Ca 0.04 -0.70 -0.34 0.00 -2.27 0.00 0.00 64.05 60.77 1wk0 n THR 82 Cb 0.57 -0.92 -0.15 0.00 -2.10 0.00 0.00 70.33 67.73 1wk0 n THR 82 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wk0 s ASN 83 N -5.93 3.66 0.19 3.42 3.04 -1.26 -2.44 114.94 115.63 1wk0 s ASN 83 Ca -0.22 -0.53 0.01 0.00 0.04 0.00 0.00 52.86 52.17 1wk0 s ASN 83 Cb 0.07 -1.60 -0.05 0.00 -1.54 0.00 0.00 41.25 38.14 1wk0 s ASN 83 CO 0.70 -0.01 0.04 0.27 -3.04 0.00 0.00 177.10 175.07 1wk0 s ILE 84 N 1.35 0.52 -0.17 -5.21 -0.00 -0.63 -4.98 121.20 112.09 1wk0 s ILE 84 Ca 0.05 -1.98 -0.05 0.00 -0.00 0.00 0.00 60.65 58.67 1wk0 s ILE 84 Cb -0.14 -2.28 -0.03 0.00 -0.00 0.00 0.00 42.46 40.01 1wk0 s ILE 84 CO -0.08 -0.31 -0.01 -0.89 -0.00 0.00 0.00 174.94 173.65 1wk0 s THR 85 N -3.77 4.13 0.62 8.37 2.01 -1.26 -1.20 115.64 124.55 1wk0 s THR 85 Ca 0.29 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 1wk0 s THR 85 Cb 0.07 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1wk0 s THR 85 CO 0.07 0.48 1.04 -0.76 -0.69 0.00 0.00 174.62 174.76 1wk0 s LEU 86 N 0.41 3.34 0.13 4.42 2.01 -0.47 -4.87 118.68 123.65 1wk0 s LEU 86 Ca -0.02 1.63 -0.13 0.00 0.01 0.00 0.00 54.13 55.62 1wk0 s LEU 86 Cb -0.14 -4.50 0.02 0.00 0.01 0.00 0.00 46.19 41.58 1wk0 s LEU 86 CO 0.02 -1.12 0.35 0.20 1.01 0.00 0.00 176.35 176.81 1wk0 s ASN 87 N -3.44 -0.11 -1.24 2.29 0.01 -1.26 -3.66 114.94 107.54 1wk0 s ASN 87 Ca 0.59 -0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 52.22 1wk0 s ASN 87 Cb -0.13 0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.98 1wk0 s ASN 87 CO 0.45 -0.86 0.97 0.47 -1.51 0.00 0.00 177.10 176.62 1wk0 n ASP 88 N -0.20 -2.30 -4.81 -1.22 9.92 -1.26 -4.99 116.55 111.69 1wk0 n ASP 88 Ca -0.14 -0.65 -0.22 0.00 -0.53 0.00 0.00 54.79 53.25 1wk0 n ASP 88 Cb 0.63 -4.92 -0.05 0.00 -0.64 0.00 0.00 41.12 36.14 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 -6.51 3.30 -0.36 0.64 1.43 -1.26 -5.10 118.68 110.83 1wk0 s LEU 89 Ca 0.06 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.17 1wk0 s LEU 89 Cb -0.03 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 1wk0 s LEU 89 CO 0.75 -0.53 0.42 -0.54 0.23 0.00 0.00 176.35 176.68 1wk0 s LYS 90 N -4.00 3.47 0.63 1.70 3.01 -1.26 -4.72 119.74 118.57 1wk0 s LYS 90 Ca 0.43 -0.42 -0.16 0.00 -1.01 0.00 0.00 55.97 54.81 1wk0 s LYS 90 Cb -0.01 -3.84 -0.02 0.00 -1.01 0.00 0.00 37.83 32.95 1wk0 s LYS 90 CO 0.25 -0.63 1.12 -1.25 0.51 0.00 0.00 175.35 175.34 1wk0 s PRO 91 N 2.15 2.96 -1.26 -1.68 0.04 -1.25 -3.66 135.00 132.29 1wk0 s PRO 91 Ca 0.14 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 1wk0 s PRO 91 Cb -0.16 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1wk0 s PRO 91 CO 0.13 -1.13 1.01 0.00 0.04 0.00 0.00 177.00 177.04 1wk0 n ALA 92 N -2.10 -1.15 -2.25 8.56 0.00 -0.63 -4.88 120.51 118.05 1wk0 n ALA 92 Ca 0.11 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.76 1wk0 n ALA 92 Cb 0.52 -4.88 -0.10 0.00 0.00 0.00 0.00 19.45 14.99 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 -6.11 1.29 -0.05 0.00 0.00 -1.24 -4.97 119.30 108.21 1wk0 s MET 93 Ca 0.50 -1.69 -0.01 0.00 0.00 0.00 0.00 55.69 54.49 1wk0 s MET 93 Cb -0.22 0.01 0.03 0.00 0.00 0.00 0.00 34.83 34.64 1wk0 s MET 93 CO 0.62 -0.34 0.02 -0.51 0.00 0.00 0.00 175.02 174.81 1wk0 s ASP 94 N -3.23 1.19 0.21 1.11 1.01 -1.26 -2.11 116.67 113.59 1wk0 s ASP 94 Ca 0.38 -0.02 -0.08 0.00 0.71 0.00 0.00 52.55 53.54 1wk0 s ASP 94 Cb 0.07 -0.31 -0.02 0.00 1.01 0.00 0.00 42.92 43.68 1wk0 s ASP 94 CO 0.12 -0.19 0.30 -0.72 0.21 0.00 0.00 175.17 174.90 1wk0 s TYR 95 N 1.80 0.65 0.31 4.23 1.13 -1.26 -4.97 117.35 119.23 1wk0 s TYR 95 Ca 0.01 -0.96 -0.01 0.00 -1.41 0.00 0.00 57.07 54.70 1wk0 s TYR 95 Cb -0.13 -0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 1wk0 s TYR 95 CO -0.04 -0.79 0.52 -1.01 -2.51 0.00 0.00 175.55 171.72 1wk0 s HIS 96 N -4.05 3.49 -0.06 -3.49 3.76 -1.26 -2.47 115.29 111.21 1wk0 s HIS 96 Ca 0.27 0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 55.54 1wk0 s HIS 96 Cb 0.03 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.81 1wk0 s HIS 96 CO 0.07 0.18 0.15 0.00 -0.85 0.00 0.00 174.74 174.30 1wk0 s ALA 97 N -2.18 -0.35 0.24 -1.40 0.00 1.00 -3.42 121.76 115.65 1wk0 s ALA 97 Ca 0.40 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.91 1wk0 s ALA 97 Cb -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1wk0 s ALA 97 CO 0.33 -0.10 0.04 0.15 0.00 0.00 0.00 175.76 176.18 1wk0 s LYS 98 N 0.43 1.37 -0.13 0.00 1.02 -0.66 -0.92 119.74 120.85 1wk0 s LYS 98 Ca -0.03 -1.72 -0.01 0.00 0.02 0.00 0.00 55.97 54.23 1wk0 s LYS 98 Cb -0.04 -0.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.82 1wk0 s LYS 98 CO -0.02 -0.18 -0.01 0.54 -0.92 0.00 0.00 175.35 174.76 1wk0 s VAL 99 N -3.55 0.66 -0.11 3.17 0.11 -1.26 -0.89 120.40 118.54 1wk0 s VAL 99 Ca 0.32 -0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 59.02 1wk0 s VAL 99 Cb 0.07 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1wk0 s VAL 99 CO 0.11 0.13 0.19 -1.58 -3.33 0.00 0.00 175.10 170.62 1wk0 s GLN 100 N 1.84 3.62 -0.21 1.54 0.74 -0.53 -2.58 119.66 124.08 1wk0 s GLN 100 Ca 0.03 -0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.33 1wk0 s GLN 100 Cb -0.14 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1wk0 s GLN 100 CO -0.07 0.70 0.07 0.00 -0.55 0.00 0.00 175.29 175.44 1wk0 s ALA 101 N -0.85 3.35 -0.04 1.58 0.00 -1.26 -0.73 121.76 123.81 1wk0 s ALA 101 Ca 0.16 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1wk0 s ALA 101 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1wk0 s ALA 101 CO 0.05 -0.04 -0.15 -2.00 0.00 0.00 0.00 175.76 173.63 1wk0 s GLU 102 N 0.78 1.57 -0.04 0.00 2.12 0.69 -3.07 118.70 120.75 1wk0 s GLU 102 Ca 0.04 -0.51 -0.13 0.00 0.36 0.00 0.00 54.97 54.73 1wk0 s GLU 102 Cb -0.13 -1.37 0.02 0.00 0.26 0.00 0.00 34.13 32.90 1wk0 s GLU 102 CO 0.02 0.19 0.29 -0.47 -0.54 0.00 0.00 175.26 174.75 1wk0 s TYR 103 N 0.15 -0.19 -1.68 5.30 6.14 -0.99 -0.63 117.35 125.45 1wk0 s TYR 103 Ca -0.05 0.36 -0.17 0.00 0.64 0.00 0.00 57.07 57.85 1wk0 s TYR 103 Cb -0.11 0.08 0.15 0.00 0.42 0.00 0.00 41.96 42.50 1wk0 s TYR 103 CO 0.02 -0.32 0.75 0.09 0.64 0.00 0.00 175.55 176.73 1wk0 n ASN 104 N 1.71 -3.05 -2.51 4.32 3.02 -1.26 0.11 115.26 117.60 1wk0 n ASN 104 Ca -0.20 -1.01 -0.21 0.00 -0.03 0.00 0.00 54.58 53.13 1wk0 n ASN 104 Cb 0.56 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wk0 n SER 105 N -2.68 -5.87 -4.06 6.41 7.64 -1.26 -4.97 113.62 108.82 1wk0 n SER 105 Ca 0.04 -0.10 -0.32 0.00 1.01 0.00 0.00 58.87 59.50 1wk0 n SER 105 Cb 0.51 -4.82 -0.15 0.00 -1.01 0.00 0.00 64.21 58.74 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 2.30 -0.13 0.44 1.01 0.30 -5.10 121.20 116.96 1wk0 s ILE 106 Ca 0.09 -1.85 -0.23 0.00 0.00 0.00 0.00 60.65 58.66 1wk0 s ILE 106 Cb -0.04 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1wk0 s ILE 106 CO 0.12 -0.23 0.72 -0.54 0.00 0.00 0.00 174.94 175.01 1wk0 s LYS 107 N 1.05 4.33 0.00 2.79 1.02 -1.26 -2.34 119.74 125.34 1wk0 s LYS 107 Ca -0.02 0.86 0.00 0.00 0.02 0.00 0.00 55.97 56.83 1wk0 s LYS 107 Cb -0.20 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.59 1wk0 s LYS 107 CO -0.06 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1wk0 n GLY 108 N 3.40 1.73 3.34 -3.33 0.00 -1.17 -4.98 105.19 104.17 1wk0 n GLY 108 Ca 0.01 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 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 4.84 2.55 0.35 2.61 2.01 -1.26 -4.95 115.64 121.80 1wk0 s THR 109 Ca 0.00 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.85 1wk0 s THR 109 Cb 0.00 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 1wk0 s THR 109 CO 0.00 0.56 1.21 -2.16 -0.69 0.00 0.00 174.62 173.54 1wk0 s PRO 110 N -0.14 4.26 0.96 4.92 0.04 -1.26 -4.58 135.00 139.20 1wk0 s PRO 110 Ca -0.03 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1wk0 s PRO 110 Cb -0.14 -2.91 0.24 0.00 0.04 0.00 0.00 34.50 31.73 1wk0 s PRO 110 CO 0.04 -0.18 0.53 -1.13 0.04 0.00 0.00 177.00 176.30 1wk0 n SER 111 N 0.53 -3.28 -3.39 6.66 3.41 -1.06 -4.91 113.62 111.58 1wk0 n SER 111 Ca 0.02 -0.54 -0.31 0.00 -0.26 0.00 0.00 58.87 57.78 1wk0 n SER 111 Cb 0.44 -0.66 0.28 0.00 -0.26 0.00 0.00 64.21 64.02 1wk0 n SER 111 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wk0 s GLU 112 N -4.06 -2.83 -0.21 4.33 0.41 -1.26 -4.67 118.70 110.41 1wk0 s GLU 112 Ca 0.41 0.01 -0.16 0.00 -0.41 0.00 0.00 54.97 54.82 1wk0 s GLU 112 Cb -0.07 -1.40 -0.04 0.00 -1.78 0.00 0.00 34.13 30.84 1wk0 s GLU 112 CO 0.35 -4.78 0.42 0.00 -0.49 0.00 0.00 175.26 170.75 1wk0 s ALA 113 N -2.42 3.56 -0.30 5.21 0.00 -1.26 -4.40 121.76 122.15 1wk0 s ALA 113 Ca 0.69 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 1wk0 s ALA 113 Cb -0.11 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.36 1wk0 s ALA 113 CO 0.57 -0.39 0.04 -2.00 0.00 0.00 0.00 175.76 173.97 1wk0 s GLU 114 N 1.52 2.74 0.02 0.00 -6.30 -0.10 -4.82 118.70 111.76 1wk0 s GLU 114 Ca 0.19 -1.08 -0.21 0.00 -2.50 0.00 0.00 54.97 51.38 1wk0 s GLU 114 Cb -0.15 -3.27 -0.06 0.00 0.00 0.00 0.00 34.13 30.66 1wk0 s GLU 114 CO 0.08 -0.54 0.60 -1.50 0.02 0.00 0.00 175.26 173.92 1wk0 s ILE 115 N 1.37 4.85 -0.16 -3.70 2.07 -1.26 -0.00 121.20 124.38 1wk0 s ILE 115 Ca -0.01 1.27 -0.05 0.00 -1.41 0.00 0.00 60.65 60.45 1wk0 s ILE 115 Cb -0.18 -3.94 0.08 0.00 0.13 0.00 0.00 42.46 38.55 1wk0 s ILE 115 CO 0.00 0.45 0.28 0.72 -1.91 0.00 0.00 174.94 174.48 1wk0 s PHE 116 N -0.41 -0.47 0.04 3.50 -0.12 -1.03 -4.95 117.98 114.54 1wk0 s PHE 116 Ca 0.31 0.89 -0.29 0.00 -0.05 0.00 0.00 56.93 57.79 1wk0 s PHE 116 Cb -0.19 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 1wk0 s PHE 116 CO 0.18 -0.44 0.92 0.99 -0.05 0.00 0.00 175.22 176.83 1wk0 s THR 117 N 2.43 4.72 0.13 -4.49 2.01 -1.26 -4.19 115.64 115.00 1wk0 s THR 117 Ca 0.03 1.96 0.01 0.00 0.31 0.00 0.00 61.69 64.00 1wk0 s THR 117 Cb -0.13 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1wk0 s THR 117 CO -0.10 0.26 0.29 0.42 -0.69 0.00 0.00 174.62 174.79 1wk0 s THR 118 N 0.46 5.31 0.95 -0.82 -4.23 -0.90 -4.93 115.64 111.48 1wk0 s THR 118 Ca 0.47 -0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 60.31 1wk0 s THR 118 Cb -0.22 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.11 1wk0 s THR 118 CO 0.27 -0.03 1.31 -1.48 -0.54 0.00 0.00 174.62 174.15 1wk0 s LEU 119 N -3.02 2.69 0.30 4.79 2.34 -1.22 -2.09 118.68 122.47 1wk0 s LEU 119 Ca 0.36 0.31 -0.04 0.00 0.06 0.00 0.00 54.13 54.82 1wk0 s LEU 119 Cb -0.12 -2.39 -0.05 0.00 -0.56 0.00 0.00 46.19 43.07 1wk0 s LEU 119 CO 0.28 -2.67 0.54 -0.94 -1.06 0.00 0.00 176.35 172.51 1wk0 s SER 120 N -4.86 6.41 0.48 1.48 1.04 -1.26 -1.61 113.70 115.37 1wk0 s SER 120 Ca 0.73 0.64 0.38 0.00 0.48 0.00 0.00 55.95 58.19 1wk0 s SER 120 Cb -0.04 -2.11 1.57 0.00 0.10 0.00 0.00 66.02 65.53 1wk0 s SER 120 CO 0.53 -0.21 1.56 0.00 0.98 0.00 0.00 173.24 176.10 1wk0 s GLU 122 N -5.12 3.71 -1.19 0.00 -1.05 -1.26 -4.98 118.70 108.81 1wk0 s GLU 122 Ca -0.07 0.13 -0.23 0.00 -0.15 0.00 0.00 54.97 54.65 1wk0 s GLU 122 Cb 0.30 -2.66 -0.09 0.00 -0.44 0.00 0.00 34.13 31.24 1wk0 s GLU 122 CO 0.84 0.28 1.93 -1.25 0.95 0.00 0.00 175.26 178.01 1wk0 s PRO 123 N -3.15 2.50 -0.03 -4.83 0.04 -1.26 -4.66 135.00 123.61 1wk0 s PRO 123 Ca 0.45 -1.17 -0.02 0.00 0.04 0.00 0.00 61.00 60.30 1wk0 s PRO 123 Cb -0.11 -5.24 -0.01 0.00 0.04 0.00 0.00 34.50 29.18 1wk0 s PRO 123 CO 0.26 -3.98 -0.05 -3.47 0.04 0.00 0.00 177.00 169.80 1wk0 n ASP 124 N 14.37 0.35 -3.40 6.66 2.03 -1.26 -4.91 116.55 130.38 1wk0 n ASP 124 Ca 0.45 0.20 -0.48 0.00 0.52 0.00 0.00 54.79 55.47 1wk0 n ASP 124 Cb 0.47 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1wk0 n ILE 125 N -2.78 0.00 -2.07 5.18 2.08 -1.26 -4.76 119.36 115.76 1wk0 n ILE 125 Ca -0.02 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.88 1wk0 n ILE 125 Cb 0.07 -0.40 -0.03 0.00 -0.75 0.00 0.00 39.64 38.53 1wk0 n ILE 125 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wk0 s PRO 126 N 4.78 2.99 -0.08 0.38 0.04 -1.26 -4.99 135.00 136.87 1wk0 s PRO 126 Ca 0.96 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1wk0 s PRO 126 Cb -1.20 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 29.03 1wk0 s PRO 126 CO 0.53 -2.28 0.07 -0.80 0.04 0.00 0.00 177.00 174.55 1wk0 s ASN 127 N 6.87 5.72 0.39 6.66 0.01 -1.26 -5.09 114.94 128.24 1wk0 s ASN 127 Ca 0.71 0.25 -0.26 0.00 -0.71 0.00 0.00 52.86 52.85 1wk0 s ASN 127 Cb -0.16 -1.71 -0.09 0.00 0.41 0.00 0.00 41.25 39.71 1wk0 s ASN 127 CO 0.27 0.36 1.19 -2.16 -1.51 0.00 0.00 177.10 175.25 1wk0 s PRO 128 N -1.14 4.09 0.03 -0.60 0.04 -1.26 -5.04 135.00 131.12 1wk0 s PRO 128 Ca 0.16 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 1wk0 s PRO 128 Cb -0.12 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.69 1wk0 s PRO 128 CO 0.06 -0.31 0.02 -0.35 0.04 0.00 0.00 177.00 176.46 1wk0 n PRO 129 N 0.20 -1.07 -4.18 0.56 -0.04 -1.26 -5.08 135.00 124.13 1wk0 n PRO 129 Ca 0.04 -0.04 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1wk0 n PRO 129 Cb 0.46 -0.03 -0.07 0.00 -0.04 0.00 0.00 33.50 33.82 1wk0 n PRO 129 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wk0 s ARG 130 N -3.05 2.36 -0.08 0.54 1.04 -1.26 -5.13 118.95 113.37 1wk0 s ARG 130 Ca 0.01 -1.48 -0.00 0.00 -1.04 0.00 0.00 55.73 53.22 1wk0 s ARG 130 Cb -0.00 -2.18 -0.03 0.00 -2.04 0.00 0.00 34.95 30.70 1wk0 s ARG 130 CO 0.01 0.21 -0.04 -1.50 -0.04 0.00 0.00 175.30 173.94 1wk0 s ILE 131 N -2.38 3.92 -0.14 4.99 1.10 -1.26 -5.01 121.20 122.43 1wk0 s ILE 131 Ca 0.35 -0.39 -0.04 0.00 -0.51 0.00 0.00 60.65 60.06 1wk0 s ILE 131 Cb -0.04 -2.63 -0.07 0.00 0.15 0.00 0.00 42.46 39.87 1wk0 s ILE 131 CO 0.22 0.59 -0.16 -1.54 -2.11 0.00 0.00 174.94 171.94 1wk0 n SER 132 N 2.29 1.66 0.00 4.50 3.41 -1.26 -5.14 113.62 119.08 1wk0 n SER 132 Ca -0.18 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1wk0 n SER 132 Cb 0.53 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1wk0 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wk0 n GLY 133 N 2.38 1.26 3.69 5.00 0.00 -1.26 -5.13 105.19 111.13 1wk0 n GLY 133 Ca -0.26 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 1.93 4.28 0.98 1.61 0.04 -1.26 -4.98 135.00 137.60 1wk0 s PRO 134 Ca 0.00 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 1wk0 s PRO 134 Cb 0.00 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1wk0 s PRO 134 CO 0.00 -0.57 -0.05 -1.13 0.04 0.00 0.00 177.00 175.29 1wk0 n SER 135 N 5.15 -3.35 -4.92 6.66 3.41 -1.26 -4.97 113.62 114.34 1wk0 n SER 135 Ca 0.13 0.24 -0.27 0.00 -0.26 0.00 0.00 58.87 58.72 1wk0 n SER 135 Cb 0.43 -1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 1wk0 n SER 135 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wk0 s SER 136 N -1.66 6.35 0.00 4.04 1.04 -1.26 -5.26 113.70 116.94 1wk0 s SER 136 Ca 0.51 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1wk0 s SER 136 Cb -0.19 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1wk0 s SER 136 CO 0.72 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.21