#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 6.68 -0.79 1.61 0.01 -1.26 -5.02 113.70 114.93 1wk0 s SER 2 Ca 0.00 0.81 -0.26 0.00 1.31 0.00 0.00 55.95 57.81 1wk0 s SER 2 Cb 0.00 -2.29 0.03 0.00 0.21 0.00 0.00 66.02 63.97 1wk0 s SER 2 CO 0.00 -0.02 1.38 -0.55 0.41 0.00 0.00 173.24 174.46 1wk0 s SER 3 N 0.68 6.13 0.00 2.44 0.15 -1.26 -4.56 113.70 117.28 1wk0 s SER 3 Ca 0.26 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1wk0 s SER 3 Cb -0.15 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1wk0 s SER 3 CO 0.10 -1.84 0.00 0.61 1.20 0.00 0.00 173.24 173.31 1wk0 n GLY 4 N 5.76 1.74 3.16 9.45 0.00 -1.26 -5.07 105.19 118.97 1wk0 n GLY 4 Ca 0.12 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1wk0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wk0 s SER 5 N 0.00 5.51 -0.63 1.61 1.04 -1.26 -5.04 113.70 114.92 1wk0 s SER 5 Ca 0.00 -2.16 -0.22 0.00 0.48 0.00 0.00 55.95 54.04 1wk0 s SER 5 Cb 0.00 -1.93 0.07 0.00 0.10 0.00 0.00 66.02 64.26 1wk0 s SER 5 CO 0.00 -0.58 0.93 -0.55 0.98 0.00 0.00 173.24 174.02 1wk0 s SER 6 N 1.98 6.20 -0.30 7.02 0.15 -1.26 -4.94 113.70 122.56 1wk0 s SER 6 Ca 0.09 -0.91 -0.12 0.00 0.70 0.00 0.00 55.95 55.71 1wk0 s SER 6 Cb -0.23 -2.41 0.17 0.00 -1.71 0.00 0.00 66.02 61.85 1wk0 s SER 6 CO -0.03 -1.36 0.96 -0.83 1.20 0.00 0.00 173.24 173.18 1wk0 s GLY 7 N 3.49 -0.38 -0.16 9.45 0.00 -1.26 -5.05 107.32 113.42 1wk0 s GLY 7 Ca 0.22 2.75 0.01 0.00 0.00 0.00 0.00 44.72 47.70 1wk0 s GLY 7 CO 0.11 3.53 -0.15 1.22 0.00 0.00 0.00 173.10 177.82 1wk0 n ASP 8 N 5.28 2.69 -0.50 1.64 9.92 -1.26 -4.50 116.55 129.81 1wk0 n ASP 8 Ca -0.07 -0.08 0.42 0.00 -0.53 0.00 0.00 54.79 54.54 1wk0 n ASP 8 Cb 0.53 -0.26 0.76 0.00 -0.64 0.00 0.00 41.12 41.50 1wk0 n ASP 8 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1wk0 h GLU 9 N -0.02 0.03 -0.18 -1.24 4.11 -2.01 0.85 114.58 116.12 1wk0 h GLU 9 Ca -0.36 -0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.90 1wk0 h GLU 9 Cb 1.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1wk0 h GLU 9 CO -0.06 0.02 -0.52 0.93 0.07 0.00 0.00 179.01 179.44 1wk0 h GLU 10 N 0.03 0.68 -0.30 1.06 4.39 -2.01 -3.07 114.58 115.37 1wk0 h GLU 10 Ca 0.76 -0.49 0.03 0.00 0.34 0.00 0.00 59.36 60.00 1wk0 h GLU 10 Cb 2.89 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 31.59 1wk0 h GLU 10 CO -0.08 1.11 0.12 1.15 -1.16 0.00 0.00 179.01 180.15 1wk0 h THR 11 N 0.37 0.95 0.05 1.13 2.02 0.48 -2.24 112.91 115.68 1wk0 h THR 11 Ca -0.01 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1wk0 h THR 11 Cb 1.14 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1wk0 h THR 11 CO 0.11 0.05 -0.26 0.11 0.37 0.00 0.00 175.52 175.90 1wk0 h LYS 12 N 0.26 -0.41 -0.71 6.66 1.57 -1.50 -0.63 116.57 121.82 1wk0 h LYS 12 Ca 0.13 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.12 1wk0 h LYS 12 Cb 0.08 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1wk0 h LYS 12 CO -0.11 -0.27 0.50 0.00 -0.57 0.00 0.00 179.45 178.99 1wk0 h ALA 13 N 0.36 2.50 -0.08 3.86 0.00 -1.41 0.50 119.26 124.99 1wk0 h ALA 13 Ca 0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1wk0 h ALA 13 Cb 0.48 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wk0 h ALA 13 CO -0.19 -0.70 -0.84 0.74 0.00 0.00 0.00 179.25 178.25 1wk0 h PHE 14 N 0.11 0.86 -0.24 0.00 0.04 -0.57 0.22 116.94 117.36 1wk0 h PHE 14 Ca 0.34 -0.41 0.01 0.00 2.80 0.00 0.00 57.97 60.71 1wk0 h PHE 14 Cb 1.19 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 1wk0 h PHE 14 CO -0.00 1.22 0.16 0.93 -0.60 0.00 0.00 178.31 180.02 1wk0 h GLU 15 N 0.40 0.30 0.01 1.51 5.08 0.51 0.10 114.58 122.49 1wk0 h GLU 15 Ca -0.07 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 57.97 1wk0 h GLU 15 Cb 1.46 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 1wk0 h GLU 15 CO 0.16 0.20 -1.70 0.00 -1.00 0.00 0.00 179.01 176.67 1wk0 n ALA 16 N -2.50 0.92 0.08 3.43 0.00 -1.03 -3.73 120.51 117.68 1wk0 n ALA 16 Ca 0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1wk0 n ALA 16 Cb 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.90 -0.51 -1.46 0.00 5.85 -0.52 -1.47 115.31 116.31 1wk0 h LEU 17 Ca -0.46 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1wk0 h LEU 17 Cb 1.46 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 1wk0 h LEU 17 CO -0.25 -0.25 0.46 -0.07 -0.34 0.00 0.00 178.44 177.99 1wk0 h LEU 18 N -0.32 0.56 -3.17 2.25 3.38 -0.98 0.58 115.31 117.61 1wk0 h LEU 18 Ca 0.04 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 1wk0 h LEU 18 Cb 0.36 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.87 1wk0 h LEU 18 CO -0.13 0.35 0.28 -1.54 0.09 0.00 0.00 178.44 177.49 1wk0 n SER 19 N -4.49 3.84 -0.50 -0.43 3.41 -0.72 -4.05 113.62 110.68 1wk0 n SER 19 Ca 0.11 -2.94 0.07 0.00 -0.26 0.00 0.00 58.87 55.84 1wk0 n SER 19 Cb 0.30 -0.70 0.19 0.00 -0.26 0.00 0.00 64.21 63.75 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wk0 n ASN 20 N -0.23 1.83 -3.41 4.04 5.15 0.20 -4.84 115.26 118.00 1wk0 n ASN 20 Ca 0.33 -3.71 -0.15 0.00 -0.60 0.00 0.00 54.58 50.45 1wk0 n ASN 20 Cb 1.17 -0.51 0.08 0.00 -0.53 0.00 0.00 39.78 39.99 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1wk0 n ILE 21 N -1.17 0.00 -5.25 -1.44 -0.00 -1.26 -2.90 119.36 107.35 1wk0 n ILE 21 Ca 0.18 -0.84 -0.31 0.00 -0.00 0.00 0.00 62.75 61.78 1wk0 n ILE 21 Cb 0.68 -1.24 -0.16 0.00 -0.00 0.00 0.00 39.64 38.92 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 -1.97 2.11 0.31 7.28 1.01 -1.23 -4.89 120.40 123.03 1wk0 s VAL 22 Ca 0.40 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 1wk0 s VAL 22 Cb -0.02 -1.76 -0.14 0.00 0.00 0.00 0.00 36.38 34.46 1wk0 s VAL 22 CO 0.27 0.57 0.74 2.29 0.00 0.00 0.00 175.10 178.98 1wk0 n LYS 23 N 2.83 0.78 -2.25 2.72 2.85 -1.26 -4.16 118.16 119.66 1wk0 n LYS 23 Ca -0.17 0.28 -0.40 0.00 -1.05 0.00 0.00 58.31 56.97 1wk0 n LYS 23 Cb 0.52 -1.54 -0.03 0.00 -0.65 0.00 0.00 35.03 33.34 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 4.33 -0.24 -1.58 0.04 -1.26 -4.72 135.00 130.14 1wk0 s PRO 24 Ca 0.61 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 63.57 1wk0 s PRO 24 Cb -0.72 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1wk0 s PRO 24 CO 0.58 -0.13 0.11 0.08 0.04 0.00 0.00 177.00 177.69 1wk0 s VAL 25 N -1.22 4.88 -0.09 -0.36 1.01 0.27 -4.52 120.40 120.37 1wk0 s VAL 25 Ca 0.50 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1wk0 s VAL 25 Cb -0.35 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1wk0 s VAL 25 CO 0.46 0.35 0.95 0.00 0.00 0.00 0.00 175.10 176.87 1wk0 s ALA 26 N 1.18 3.37 0.27 5.51 0.00 -1.26 -1.60 121.76 129.23 1wk0 s ALA 26 Ca 0.06 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1wk0 s ALA 26 Cb -0.14 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1wk0 s ALA 26 CO 0.05 -0.51 0.17 -1.12 0.00 0.00 0.00 175.76 174.34 1wk0 s SER 27 N 1.07 1.10 -1.30 0.00 0.01 0.14 -4.85 113.70 109.87 1wk0 s SER 27 Ca 0.47 -1.53 -0.16 0.00 1.31 0.00 0.00 55.95 56.04 1wk0 s SER 27 Cb -0.18 0.40 0.16 0.00 0.21 0.00 0.00 66.02 66.61 1wk0 s SER 27 CO 0.19 -0.89 0.41 0.47 0.41 0.00 0.00 173.24 173.83 1wk0 n ASP 28 N -0.80 -1.28 -4.72 2.44 8.00 -1.26 -0.92 116.55 118.01 1wk0 n ASP 28 Ca 0.02 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.26 1wk0 n ASP 28 Cb 0.65 -1.13 -0.01 0.00 -0.02 0.00 0.00 41.12 40.61 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1wk0 n ILE 29 N -2.99 1.66 -4.28 0.53 5.41 -1.26 -4.07 119.36 114.35 1wk0 n ILE 29 Ca 0.08 -0.41 -0.14 0.00 1.00 0.00 0.00 62.75 63.28 1wk0 n ILE 29 Cb 0.32 -1.71 -0.04 0.00 -0.71 0.00 0.00 39.64 37.50 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 1.04 0.79 0.00 0.38 6.02 0.19 -4.81 117.38 120.99 1wk0 n GLN 30 Ca 0.06 -1.87 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 1wk0 n GLN 30 Cb 0.36 0.97 0.00 0.00 1.02 0.00 0.00 30.24 32.59 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 -1.97 -0.01 -0.02 -1.58 0.00 -1.26 -3.43 120.51 112.24 1wk0 n ALA 31 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1wk0 n ALA 31 Cb 0.33 0.42 -0.06 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.44 1.79 -3.44 0.00 1.74 -1.26 -3.46 116.66 109.59 1wk0 n ARG 32 Ca 0.00 -0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 1wk0 n ARG 32 Cb 0.00 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.33 5.07 0.18 0.55 -4.23 -1.26 -3.87 115.64 109.75 1wk0 s THR 33 Ca -0.03 -0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.30 1wk0 s THR 33 Cb 0.03 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.19 1wk0 s THR 33 CO 0.32 -0.24 0.50 0.68 -0.54 0.00 0.00 174.62 175.33 1wk0 s VAL 34 N -1.99 0.03 -0.41 2.29 -7.23 -1.24 0.52 120.40 112.37 1wk0 s VAL 34 Ca 0.43 -0.74 -0.10 0.00 -1.81 0.00 0.00 61.98 59.76 1wk0 s VAL 34 Cb -0.11 -1.50 0.07 0.00 0.56 0.00 0.00 36.38 35.39 1wk0 s VAL 34 CO 0.29 -0.14 0.26 -0.69 -0.31 0.00 0.00 175.10 174.50 1wk0 s VAL 35 N -3.86 4.38 -0.37 1.32 1.01 -0.09 -2.17 120.40 120.61 1wk0 s VAL 35 Ca 0.08 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 60.67 1wk0 s VAL 35 Cb -0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1wk0 s VAL 35 CO -0.04 -0.46 0.26 -0.22 0.00 0.00 0.00 175.10 174.64 1wk0 s LEU 36 N 1.47 4.76 -0.19 3.92 2.96 -0.49 0.25 118.68 131.35 1wk0 s LEU 36 Ca 0.03 -0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1wk0 s LEU 36 Cb -0.22 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.35 1wk0 s LEU 36 CO 0.03 -0.34 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.69 1wk0 s THR 37 N 1.68 2.48 0.11 3.68 2.01 -0.63 -1.58 115.64 123.39 1wk0 s THR 37 Ca 0.05 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.32 1wk0 s THR 37 Cb -0.18 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1wk0 s THR 37 CO 0.10 0.51 -0.18 -1.66 -0.69 0.00 0.00 174.62 172.69 1wk0 s TRP 38 N 1.30 1.62 0.16 4.92 -2.14 -1.18 -0.56 118.94 123.06 1wk0 s TRP 38 Ca 0.04 -0.46 -0.05 0.00 2.66 0.00 0.00 56.10 58.29 1wk0 s TRP 38 Cb -0.14 -0.87 -0.06 0.00 -3.10 0.00 0.00 33.47 29.31 1wk0 s TRP 38 CO -0.09 0.19 0.41 0.45 -2.66 0.00 0.00 176.95 175.25 1wk0 s SER 39 N -2.12 6.50 0.85 -2.66 0.15 -1.26 -4.64 113.70 110.52 1wk0 s SER 39 Ca 0.07 0.63 -0.11 0.00 0.70 0.00 0.00 55.95 57.24 1wk0 s SER 39 Cb -0.08 -2.11 0.10 0.00 -1.71 0.00 0.00 66.02 62.22 1wk0 s SER 39 CO 0.04 0.02 1.09 -2.16 1.20 0.00 0.00 173.24 173.44 1wk0 s PRO 40 N -2.74 1.59 0.81 5.44 0.04 -1.26 -3.51 135.00 135.38 1wk0 s PRO 40 Ca 0.42 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 1wk0 s PRO 40 Cb -0.12 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.66 1wk0 s PRO 40 CO 0.24 -2.04 1.09 -1.25 0.04 0.00 0.00 177.00 175.09 1wk0 s PRO 41 N -4.92 1.92 -0.32 0.56 0.04 -1.26 -4.58 135.00 126.44 1wk0 s PRO 41 Ca 0.63 1.05 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1wk0 s PRO 41 Cb -0.18 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.55 1wk0 s PRO 41 CO 0.57 -1.85 0.03 -1.12 0.04 0.00 0.00 177.00 174.67 1wk0 s SER 42 N -3.41 4.96 0.16 6.66 0.01 -1.14 -4.94 113.70 115.99 1wk0 s SER 42 Ca 0.62 -1.38 -0.31 0.00 1.31 0.00 0.00 55.95 56.18 1wk0 s SER 42 Cb -0.17 -1.73 -0.10 0.00 0.21 0.00 0.00 66.02 64.22 1wk0 s SER 42 CO 0.56 -0.30 1.62 -0.55 0.41 0.00 0.00 173.24 174.98 1wk0 s SER 43 N 1.32 6.54 -0.16 2.44 0.15 -1.26 -4.87 113.70 117.87 1wk0 s SER 43 Ca -0.03 2.65 0.08 0.00 0.70 0.00 0.00 55.95 59.36 1wk0 s SER 43 Cb -0.20 -2.59 0.51 0.00 -1.71 0.00 0.00 66.02 62.03 1wk0 s SER 43 CO -0.01 -0.87 1.31 0.18 1.20 0.00 0.00 173.24 175.05 1wk0 n LEU 44 N 4.28 4.11 0.00 3.45 4.77 -1.26 -4.30 117.00 128.06 1wk0 n LEU 44 Ca 0.15 -2.10 0.06 0.00 -0.03 0.00 0.00 56.01 54.09 1wk0 n LEU 44 Cb 0.38 -0.63 0.31 0.00 -2.33 0.00 0.00 43.42 41.15 1wk0 n LEU 44 CO 0.62 0.52 0.59 -0.38 -1.33 0.00 0.00 177.39 177.42 1wk0 n ILE 45 N 0.31 0.37 -1.89 -0.08 5.41 -1.26 -4.81 119.36 117.42 1wk0 n ILE 45 Ca 0.19 0.09 -0.16 0.00 1.00 0.00 0.00 62.75 63.87 1wk0 n ILE 45 Cb 0.88 -0.91 -0.04 0.00 -0.71 0.00 0.00 39.64 38.86 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 -1.15 -4.92 0.00 4.38 3.02 -1.26 -1.53 115.26 113.80 1wk0 n ASN 46 Ca 0.07 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1wk0 n ASN 46 Cb 0.06 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 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 -0.99 0.62 0.33 7.41 0.00 -1.26 -4.84 105.19 106.46 1wk0 n GLY 47 Ca -0.18 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 1.79 0.00 -6.31 1.61 3.07 -1.67 -3.42 114.58 109.65 1wk0 h GLU 48 Ca 0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 1wk0 h GLU 48 Cb 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1wk0 h GLU 48 CO 0.00 0.00 -0.14 -0.08 -1.40 0.00 0.00 179.01 177.39 1wk0 s THR 49 N -4.29 4.95 0.25 1.13 -1.32 -1.26 -5.03 115.64 110.07 1wk0 s THR 49 Ca -0.05 0.58 -0.31 0.00 -1.21 0.00 0.00 61.69 60.70 1wk0 s THR 49 Cb 0.13 -3.67 -0.13 0.00 -1.51 0.00 0.00 72.50 67.32 1wk0 s THR 49 CO 0.43 0.13 1.39 0.47 -2.21 0.00 0.00 174.62 174.83 1wk0 n ASP 50 N 0.44 2.73 -0.32 8.08 9.92 -1.26 -4.84 116.55 131.30 1wk0 n ASP 50 Ca -0.04 1.15 0.18 0.00 -0.53 0.00 0.00 54.79 55.56 1wk0 n ASP 50 Cb 0.52 -1.43 0.38 0.00 -0.64 0.00 0.00 41.12 39.96 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wk0 h GLU 51 N 4.07 0.30 -1.13 -1.24 3.07 -1.96 0.91 114.58 118.60 1wk0 h GLU 51 Ca -0.45 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.18 1wk0 h GLU 51 Cb 1.28 -0.07 -0.12 0.00 -0.84 0.00 0.00 28.75 29.00 1wk0 h GLU 51 CO 0.75 0.20 0.27 0.45 -1.40 0.00 0.00 179.01 179.27 1wk0 n SER 52 N -5.11 3.92 0.00 1.42 2.88 -1.26 -4.31 113.62 111.16 1wk0 n SER 52 Ca 0.27 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 55.12 1wk0 n SER 52 Cb 0.83 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wk0 n SER 53 N 0.01 0.00 -4.64 -3.46 2.88 0.32 -4.94 113.62 103.79 1wk0 n SER 53 Ca 0.23 0.00 -0.57 0.00 -1.33 0.00 0.00 58.87 57.20 1wk0 n SER 53 Cb 0.87 -0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wk0 n VAL 54 N -2.32 0.25 -1.18 2.46 0.24 -1.26 -4.92 118.33 111.61 1wk0 n VAL 54 Ca 0.00 -0.08 -0.29 0.00 -2.04 0.00 0.00 64.34 61.93 1wk0 n VAL 54 Cb 0.00 -1.21 0.17 0.00 -1.47 0.00 0.00 33.84 31.32 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 4.19 0.66 -0.10 7.34 0.04 -1.26 -5.00 135.00 140.86 1wk0 s PRO 55 Ca 1.02 0.60 0.15 0.00 0.04 0.00 0.00 61.00 62.81 1wk0 s PRO 55 Cb -1.09 -1.76 0.32 0.00 0.04 0.00 0.00 34.50 32.01 1wk0 s PRO 55 CO 0.64 -2.60 1.15 -0.85 0.04 0.00 0.00 177.00 175.38 1wk0 n GLU 56 N -4.09 0.85 -0.65 4.56 0.28 -1.26 -4.73 120.64 115.59 1wk0 n GLU 56 Ca 0.06 -2.41 0.01 0.00 -0.16 0.00 0.00 57.16 54.66 1wk0 n GLU 56 Cb 0.57 -1.00 0.22 0.00 1.43 0.00 0.00 31.44 32.66 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 -0.61 4.10 -4.49 -1.84 7.99 -1.26 -4.92 117.00 115.96 1wk0 n LEU 57 Ca 0.12 -3.41 -0.44 0.00 -0.01 0.00 0.00 56.01 52.27 1wk0 n LEU 57 Cb 0.79 -0.60 -0.07 0.00 -0.11 0.00 0.00 43.42 43.43 1wk0 n LEU 57 CO -0.02 0.97 1.97 -1.22 -1.51 0.00 0.00 177.39 177.58 1wk0 n TYR 58 N -0.86 1.34 -1.54 -1.77 4.01 -1.26 -4.79 117.16 112.28 1wk0 n TYR 58 Ca 0.29 0.23 -0.41 0.00 -0.16 0.00 0.00 57.90 57.85 1wk0 n TYR 58 Cb 0.99 -2.54 -0.05 0.00 -0.31 0.00 0.00 39.34 37.43 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 6.34 0.42 3.76 2.72 0.00 0.43 -4.61 105.19 114.25 1wk0 n GLY 59 Ca 0.45 0.79 -0.37 0.00 0.00 0.00 0.00 46.02 46.89 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 9.86 3.56 -0.16 1.61 2.02 0.11 -0.26 117.35 134.08 1wk0 s TYR 60 Ca 1.05 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 1wk0 s TYR 60 Cb -0.46 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 38.71 1wk0 s TYR 60 CO 0.35 0.34 -0.17 -2.00 -1.57 0.00 0.00 175.55 172.51 1wk0 s GLU 61 N 0.04 3.15 -0.18 -0.62 2.12 0.15 -2.06 118.70 121.30 1wk0 s GLU 61 Ca 0.22 -0.77 -0.22 0.00 0.36 0.00 0.00 54.97 54.56 1wk0 s GLU 61 Cb -0.15 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 1wk0 s GLU 61 CO 0.09 -0.04 0.68 0.08 -0.54 0.00 0.00 175.26 175.53 1wk0 s VAL 62 N 0.94 4.99 -0.05 3.70 1.01 -0.58 -1.28 120.40 129.13 1wk0 s VAL 62 Ca -0.03 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1wk0 s VAL 62 Cb -0.15 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1wk0 s VAL 62 CO -0.03 0.10 -0.20 -0.76 0.00 0.00 0.00 175.10 174.22 1wk0 s LEU 63 N 1.88 2.40 -0.01 3.92 1.43 0.05 -2.39 118.68 125.96 1wk0 s LEU 63 Ca 0.32 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1wk0 s LEU 63 Cb -0.16 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1wk0 s LEU 63 CO 0.11 0.30 0.03 0.27 0.23 0.00 0.00 176.35 177.29 1wk0 s ILE 64 N -0.47 -0.01 -0.41 -0.59 -4.36 -1.10 -1.41 121.20 112.84 1wk0 s ILE 64 Ca 0.06 0.03 0.02 0.00 -0.26 0.00 0.00 60.65 60.49 1wk0 s ILE 64 Cb -0.12 -0.05 0.13 0.00 1.25 0.00 0.00 42.46 43.67 1wk0 s ILE 64 CO 0.01 0.01 0.20 -0.55 0.24 0.00 0.00 174.94 174.86 1wk0 s SER 65 N 0.17 3.81 0.28 4.36 0.15 -1.23 -2.54 113.70 118.70 1wk0 s SER 65 Ca -0.01 -2.43 0.24 0.00 0.70 0.00 0.00 55.95 54.45 1wk0 s SER 65 Cb -0.02 -1.06 1.02 0.00 -1.71 0.00 0.00 66.02 64.25 1wk0 s SER 65 CO -0.00 -0.30 1.73 0.77 1.20 0.00 0.00 173.24 176.64 1wk0 h SER 66 N 7.03 0.00 -0.15 5.45 4.64 -1.89 -2.27 113.55 126.36 1wk0 h SER 66 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1wk0 h SER 66 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1wk0 h SER 66 CO 0.49 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.80 1wk0 n THR 67 N -2.30 0.19 0.00 2.95 -2.24 -1.26 -4.97 114.28 106.65 1wk0 n THR 67 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1wk0 n THR 67 Cb 0.23 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1wk0 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wk0 n GLY 68 N 0.80 2.59 0.33 3.38 0.00 -0.85 -4.64 105.19 106.80 1wk0 n GLY 68 Ca 0.08 -1.54 0.24 0.00 0.00 0.00 0.00 46.02 44.79 1wk0 n GLY 68 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wk0 h LYS 69 N 0.00 0.05 -2.02 1.61 3.64 -1.94 0.22 116.57 118.14 1wk0 h LYS 69 Ca 0.00 -0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1wk0 h LYS 69 Cb 0.00 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.70 1wk0 h LYS 69 CO 0.00 0.03 -0.02 -3.47 -2.27 0.00 0.00 179.45 173.72 1wk0 n ASP 70 N -5.32 5.77 -0.23 4.20 2.03 -1.26 -4.83 116.55 116.91 1wk0 n ASP 70 Ca 0.31 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.86 1wk0 n ASP 70 Cb 1.04 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wk0 n GLY 71 N 1.89 4.97 3.75 0.27 0.00 0.79 -5.12 105.19 111.74 1wk0 n GLY 71 Ca 0.46 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 0.33 4.39 0.04 1.61 2.47 -1.26 -5.03 119.74 122.30 1wk0 s LYS 72 Ca 0.00 0.85 -0.00 0.00 -1.56 0.00 0.00 55.97 55.25 1wk0 s LYS 72 Cb 0.00 -3.37 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 1wk0 s LYS 72 CO 0.00 0.27 0.20 0.71 0.16 0.00 0.00 175.35 176.69 1wk0 s TYR 73 N 0.08 3.51 0.28 4.03 1.51 -1.26 -4.53 117.35 120.97 1wk0 s TYR 73 Ca 0.34 0.27 0.07 0.00 -1.01 0.00 0.00 57.07 56.74 1wk0 s TYR 73 Cb -0.19 -1.77 -0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1wk0 s TYR 73 CO 0.19 0.60 -0.08 -1.59 -1.11 0.00 0.00 175.55 173.55 1wk0 s LYS 74 N -2.37 1.57 -0.31 -0.62 -2.85 -1.05 -4.91 119.74 109.19 1wk0 s LYS 74 Ca 0.33 -1.78 -0.13 0.00 -1.00 0.00 0.00 55.97 53.38 1wk0 s LYS 74 Cb -0.13 -1.26 -0.03 0.00 -2.06 0.00 0.00 37.83 34.35 1wk0 s LYS 74 CO 0.26 0.09 0.28 -1.54 0.10 0.00 0.00 175.35 174.54 1wk0 s SER 75 N -3.45 6.12 -0.22 0.03 1.04 -1.26 -2.72 113.70 113.23 1wk0 s SER 75 Ca 0.29 -0.09 0.12 0.00 0.48 0.00 0.00 55.95 56.75 1wk0 s SER 75 Cb 0.02 -2.16 -0.22 0.00 0.10 0.00 0.00 66.02 63.77 1wk0 s SER 75 CO 0.12 -0.19 -0.04 1.33 0.98 0.00 0.00 173.24 175.44 1wk0 n VAL 76 N 5.13 1.40 -3.82 5.02 0.24 -1.00 -5.02 118.33 120.28 1wk0 n VAL 76 Ca -0.11 -0.74 -0.11 0.00 -2.04 0.00 0.00 64.34 61.34 1wk0 n VAL 76 Cb 0.51 -0.82 -0.09 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.49 -0.02 -0.27 6.34 6.14 -1.26 -4.92 117.35 120.87 1wk0 s TYR 77 Ca -0.19 -0.09 -0.02 0.00 0.64 0.00 0.00 57.07 57.41 1wk0 s TYR 77 Cb 0.07 0.01 0.16 0.00 0.42 0.00 0.00 41.96 42.63 1wk0 s TYR 77 CO 0.73 -0.41 0.50 0.08 0.64 0.00 0.00 175.55 177.09 1wk0 s VAL 78 N -2.07 -0.81 0.00 3.14 1.01 -1.26 -1.53 120.40 118.88 1wk0 s VAL 78 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1wk0 s VAL 78 Cb -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1wk0 s VAL 78 CO -0.01 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1wk0 n GLY 79 N 5.40 3.29 0.48 4.51 0.00 -0.87 -4.97 105.19 113.03 1wk0 n GLY 79 Ca -0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 0.21 -0.99 1.61 4.71 -1.26 0.08 120.64 125.00 1wk0 n GLU 80 Ca 0.00 0.08 -0.34 0.00 -0.01 0.00 0.00 57.16 56.89 1wk0 n GLU 80 Cb 0.00 -0.96 -0.02 0.00 -1.01 0.00 0.00 31.44 29.45 1wk0 n GLU 80 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wk0 n GLU 81 N -3.21 0.00 -0.04 3.49 1.02 -1.26 -4.74 120.64 115.90 1wk0 n GLU 81 Ca -0.18 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.82 1wk0 n GLU 81 Cb 0.65 -0.72 -0.08 0.00 -0.02 0.00 0.00 31.44 31.26 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wk0 h THR 82 N 0.77 1.39 -3.60 2.62 1.35 -1.96 -3.44 112.91 110.04 1wk0 h THR 82 Ca -0.21 -1.57 -0.67 0.00 -0.55 0.00 0.00 66.41 63.41 1wk0 h THR 82 Cb 1.01 2.12 -0.21 0.00 -1.73 0.00 0.00 68.15 69.35 1wk0 h THR 82 CO 0.40 0.46 -0.70 0.54 -0.25 0.00 0.00 175.52 175.97 1wk0 s ASN 83 N -6.31 4.56 0.13 5.36 4.22 -1.26 -3.10 114.94 118.54 1wk0 s ASN 83 Ca -0.14 -0.08 -0.11 0.00 -2.14 0.00 0.00 52.86 50.38 1wk0 s ASN 83 Cb 0.05 -1.29 0.01 0.00 1.28 0.00 0.00 41.25 41.29 1wk0 s ASN 83 CO 0.77 0.31 0.30 0.27 -2.04 0.00 0.00 177.10 176.71 1wk0 s ILE 84 N -0.50 0.09 -0.19 0.54 -5.25 -0.62 -5.01 121.20 110.27 1wk0 s ILE 84 Ca 0.07 -1.05 -0.08 0.00 -0.99 0.00 0.00 60.65 58.60 1wk0 s ILE 84 Cb -0.12 -1.46 -0.04 0.00 2.95 0.00 0.00 42.46 43.79 1wk0 s ILE 84 CO 0.02 -0.42 0.07 -0.89 -1.79 0.00 0.00 174.94 171.93 1wk0 s THR 85 N -3.88 4.77 0.59 8.37 2.01 -1.26 -1.40 115.64 124.85 1wk0 s THR 85 Ca 0.08 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 1wk0 s THR 85 Cb 0.03 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1wk0 s THR 85 CO -0.07 0.44 0.99 -0.76 -0.69 0.00 0.00 174.62 174.53 1wk0 s LEU 86 N 0.52 3.31 0.09 4.42 1.02 -0.92 -4.91 118.68 122.21 1wk0 s LEU 86 Ca 0.03 1.34 -0.13 0.00 0.02 0.00 0.00 54.13 55.40 1wk0 s LEU 86 Cb -0.13 -4.38 0.02 0.00 0.02 0.00 0.00 46.19 41.73 1wk0 s LEU 86 CO 0.01 -0.81 0.30 0.20 0.02 0.00 0.00 176.35 176.07 1wk0 s ASN 87 N -4.13 -0.08 -0.51 2.29 -0.87 -1.26 -3.67 114.94 106.71 1wk0 s ASN 87 Ca 0.54 -0.41 -0.02 0.00 -1.57 0.00 0.00 52.86 51.40 1wk0 s ASN 87 Cb -0.11 0.40 0.00 0.00 -0.02 0.00 0.00 41.25 41.52 1wk0 s ASN 87 CO 0.52 -0.75 0.33 -0.67 -2.57 0.00 0.00 177.10 173.95 1wk0 n ASP 88 N 0.03 -3.37 -4.88 -1.22 2.03 -1.26 -5.04 116.55 102.83 1wk0 n ASP 88 Ca -0.16 -0.15 -0.20 0.00 0.52 0.00 0.00 54.79 54.79 1wk0 n ASP 88 Cb 0.62 -2.09 -0.03 0.00 -0.72 0.00 0.00 41.12 38.90 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wk0 s LEU 89 N -2.98 3.50 -0.25 -2.67 1.43 -1.25 -5.10 118.68 111.35 1wk0 s LEU 89 Ca 0.16 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1wk0 s LEU 89 Cb -0.07 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1wk0 s LEU 89 CO 0.20 -0.56 0.34 -0.75 0.23 0.00 0.00 176.35 175.81 1wk0 s LYS 90 N -4.11 4.04 0.58 1.70 2.47 -1.26 -4.64 119.74 118.53 1wk0 s LYS 90 Ca 0.46 0.00 -0.18 0.00 -1.56 0.00 0.00 55.97 54.70 1wk0 s LYS 90 Cb -0.05 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 1wk0 s LYS 90 CO 0.28 -0.19 1.12 -1.25 0.16 0.00 0.00 175.35 175.47 1wk0 s PRO 91 N 1.79 3.18 -1.49 4.03 0.04 -1.22 -3.45 135.00 137.88 1wk0 s PRO 91 Ca 0.14 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 1wk0 s PRO 91 Cb -0.15 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1wk0 s PRO 91 CO 0.09 -0.98 0.36 0.00 0.04 0.00 0.00 177.00 176.51 1wk0 n ALA 92 N -1.67 -0.77 -2.57 8.56 0.00 0.69 -4.71 120.51 120.04 1wk0 n ALA 92 Ca 0.11 0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 1wk0 n ALA 92 Cb 0.51 -3.04 -0.12 0.00 0.00 0.00 0.00 19.45 16.80 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 -5.36 1.04 -0.16 0.00 0.00 -1.17 -4.91 119.30 108.74 1wk0 s MET 93 Ca 0.18 -1.13 0.01 0.00 0.00 0.00 0.00 55.69 54.74 1wk0 s MET 93 Cb -0.08 -1.18 0.02 0.00 0.00 0.00 0.00 34.83 33.59 1wk0 s MET 93 CO 0.22 0.26 -0.17 0.16 0.00 0.00 0.00 175.02 175.49 1wk0 s ASP 94 N -1.98 2.91 0.26 1.11 1.47 -1.26 -0.84 116.67 118.33 1wk0 s ASP 94 Ca 0.05 -0.57 -0.06 0.00 1.18 0.00 0.00 52.55 53.16 1wk0 s ASP 94 Cb -0.09 -1.33 -0.02 0.00 -0.34 0.00 0.00 42.92 41.14 1wk0 s ASP 94 CO 0.04 -0.02 0.36 -0.72 0.68 0.00 0.00 175.17 175.50 1wk0 s TYR 95 N 1.34 0.86 0.25 2.11 1.13 -1.25 -4.98 117.35 116.80 1wk0 s TYR 95 Ca 0.04 -1.12 0.05 0.00 -1.41 0.00 0.00 57.07 54.63 1wk0 s TYR 95 Cb -0.13 -0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1wk0 s TYR 95 CO -0.11 -0.91 0.37 -1.01 -2.51 0.00 0.00 175.55 171.38 1wk0 s HIS 96 N -3.80 3.43 -0.06 -3.49 3.76 -1.26 -1.82 115.29 112.05 1wk0 s HIS 96 Ca 0.31 -0.02 -0.07 0.00 -0.15 0.00 0.00 55.06 55.12 1wk0 s HIS 96 Cb 0.02 -1.61 0.02 0.00 1.11 0.00 0.00 32.58 32.12 1wk0 s HIS 96 CO 0.14 0.40 0.19 0.00 -0.85 0.00 0.00 174.74 174.61 1wk0 s ALA 97 N -2.00 -0.46 0.20 -1.40 0.00 -1.13 -3.51 121.76 113.45 1wk0 s ALA 97 Ca 0.35 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1wk0 s ALA 97 Cb -0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1wk0 s ALA 97 CO 0.29 -0.12 -0.03 0.15 0.00 0.00 0.00 175.76 176.05 1wk0 s LYS 98 N -0.19 1.22 -0.07 0.00 1.02 -0.50 -0.42 119.74 120.80 1wk0 s LYS 98 Ca -0.03 -1.59 0.01 0.00 0.02 0.00 0.00 55.97 54.38 1wk0 s LYS 98 Cb -0.03 -0.58 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 1wk0 s LYS 98 CO 0.01 -0.05 -0.07 0.54 -0.92 0.00 0.00 175.35 174.85 1wk0 s VAL 99 N -3.42 0.85 -0.12 3.17 0.11 -1.26 -0.77 120.40 118.95 1wk0 s VAL 99 Ca 0.24 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1wk0 s VAL 99 Cb 0.05 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1wk0 s VAL 99 CO 0.06 0.31 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.47 1wk0 s GLN 100 N 1.15 3.32 -0.01 1.54 0.74 -0.41 -2.63 119.66 123.37 1wk0 s GLN 100 Ca -0.06 -0.60 -0.05 0.00 0.05 0.00 0.00 55.36 54.70 1wk0 s GLN 100 Cb -0.14 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 1wk0 s GLN 100 CO -0.01 0.33 0.22 0.00 -0.55 0.00 0.00 175.29 175.28 1wk0 s ALA 101 N 0.07 3.90 -0.09 1.58 0.00 -1.26 0.31 121.76 126.28 1wk0 s ALA 101 Ca -0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 1wk0 s ALA 101 Cb -0.14 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.04 1wk0 s ALA 101 CO 0.04 0.69 0.23 -2.00 0.00 0.00 0.00 175.76 174.71 1wk0 s GLU 102 N -1.77 0.23 -0.14 0.00 2.12 0.63 -3.50 118.70 116.26 1wk0 s GLU 102 Ca 0.26 0.41 -0.13 0.00 0.36 0.00 0.00 54.97 55.87 1wk0 s GLU 102 Cb -0.13 0.00 0.04 0.00 0.26 0.00 0.00 34.13 34.30 1wk0 s GLU 102 CO 0.16 -0.10 0.38 -0.47 -0.54 0.00 0.00 175.26 174.70 1wk0 s TYR 103 N 0.68 -0.43 -1.40 5.30 6.14 -0.92 -0.43 117.35 126.29 1wk0 s TYR 103 Ca -0.05 1.04 -0.06 0.00 0.64 0.00 0.00 57.07 58.65 1wk0 s TYR 103 Cb -0.06 0.15 0.01 0.00 0.42 0.00 0.00 41.96 42.48 1wk0 s TYR 103 CO -0.04 -0.21 0.81 -1.71 0.64 0.00 0.00 175.55 175.03 1wk0 n ASN 104 N 3.00 -6.02 -1.79 4.32 5.15 -1.26 -1.52 115.26 117.15 1wk0 n ASN 104 Ca -0.14 -0.37 -0.16 0.00 -0.60 0.00 0.00 54.58 53.30 1wk0 n ASN 104 Cb 0.57 -4.76 -0.02 0.00 -0.53 0.00 0.00 39.78 35.05 1wk0 n ASN 104 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wk0 n SER 105 N -2.49 -4.90 -4.24 1.20 2.88 -1.26 -4.99 113.62 99.82 1wk0 n SER 105 Ca -0.06 0.05 -0.34 0.00 -1.33 0.00 0.00 58.87 57.19 1wk0 n SER 105 Cb 0.59 -3.98 -0.15 0.00 -0.75 0.00 0.00 64.21 59.92 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wk0 s ILE 106 N -2.79 2.78 -0.18 2.46 1.01 -0.57 -5.10 121.20 118.80 1wk0 s ILE 106 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 1wk0 s ILE 106 Cb 0.00 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1wk0 s ILE 106 CO 0.00 0.49 0.00 -0.54 0.00 0.00 0.00 174.94 174.89 1wk0 s LYS 107 N 1.19 3.73 0.00 2.79 1.02 -1.26 -2.16 119.74 125.05 1wk0 s LYS 107 Ca 0.02 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1wk0 s LYS 107 Cb -0.14 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1wk0 s LYS 107 CO -0.05 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 1wk0 n GLY 108 N 3.76 2.75 3.58 -3.33 0.00 -1.23 -4.96 105.19 105.75 1wk0 n GLY 108 Ca -0.17 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 3.59 3.95 0.30 2.61 2.01 -1.26 -4.95 115.64 121.88 1wk0 s THR 109 Ca 0.00 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1wk0 s THR 109 Cb 0.00 -2.67 -0.10 0.00 0.01 0.00 0.00 72.50 69.74 1wk0 s THR 109 CO 0.00 0.56 1.24 -2.16 -0.69 0.00 0.00 174.62 173.56 1wk0 s PRO 110 N -0.36 4.46 0.82 4.92 0.04 -1.26 -4.54 135.00 139.07 1wk0 s PRO 110 Ca 0.06 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1wk0 s PRO 110 Cb -0.12 -3.13 0.21 0.00 0.04 0.00 0.00 34.50 31.50 1wk0 s PRO 110 CO 0.02 -0.06 0.51 -1.13 0.04 0.00 0.00 177.00 176.38 1wk0 n SER 111 N 1.16 -3.05 -3.22 6.66 3.41 -1.08 -4.93 113.62 112.57 1wk0 n SER 111 Ca 0.00 -0.54 -0.29 0.00 -0.26 0.00 0.00 58.87 57.78 1wk0 n SER 111 Cb 0.43 -0.56 0.28 0.00 -0.26 0.00 0.00 64.21 64.09 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 -4.08 -4.66 -4.15 4.33 1.02 -1.26 -4.63 120.64 107.20 1wk0 n GLU 112 Ca 0.08 -1.38 -0.35 0.00 -0.02 0.00 0.00 57.16 55.48 1wk0 n GLU 112 Cb 0.34 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 29.90 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wk0 s ALA 113 N -2.15 3.41 -0.41 0.62 0.00 -1.26 -4.43 121.76 117.54 1wk0 s ALA 113 Ca 0.63 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 1wk0 s ALA 113 Cb -0.11 -1.73 0.11 0.00 0.00 0.00 0.00 23.12 21.39 1wk0 s ALA 113 CO 0.53 0.41 0.20 -2.00 0.00 0.00 0.00 175.76 174.90 1wk0 s GLU 114 N -0.35 2.05 0.12 0.00 2.56 0.44 -4.79 118.70 118.73 1wk0 s GLU 114 Ca 0.08 -1.79 -0.31 0.00 0.00 0.00 0.00 54.97 52.95 1wk0 s GLU 114 Cb -0.12 -3.59 -0.08 0.00 2.00 0.00 0.00 34.13 32.34 1wk0 s GLU 114 CO 0.02 -1.06 1.34 -1.50 -0.56 0.00 0.00 175.26 173.50 1wk0 s ILE 115 N 1.16 3.40 -0.13 -3.70 2.07 -1.26 -2.82 121.20 119.93 1wk0 s ILE 115 Ca 0.08 1.04 -0.04 0.00 -1.41 0.00 0.00 60.65 60.31 1wk0 s ILE 115 Cb -0.23 -3.66 0.06 0.00 0.13 0.00 0.00 42.46 38.76 1wk0 s ILE 115 CO -0.04 0.10 0.13 0.72 -1.91 0.00 0.00 174.94 173.94 1wk0 s PHE 116 N 0.89 -0.03 -0.07 3.50 -0.12 -0.76 -4.92 117.98 116.47 1wk0 s PHE 116 Ca 0.62 0.16 -0.28 0.00 -0.05 0.00 0.00 56.93 57.38 1wk0 s PHE 116 Cb -0.36 -0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 41.55 1wk0 s PHE 116 CO 0.32 -0.40 0.94 0.99 -0.05 0.00 0.00 175.22 177.02 1wk0 s THR 117 N 2.23 4.85 0.21 -4.49 2.01 -1.26 -3.97 115.64 115.22 1wk0 s THR 117 Ca 0.04 1.93 -0.03 0.00 0.31 0.00 0.00 61.69 63.95 1wk0 s THR 117 Cb -0.14 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 1wk0 s THR 117 CO -0.08 0.09 0.43 0.42 -0.69 0.00 0.00 174.62 174.79 1wk0 s THR 118 N 1.54 5.15 0.67 -0.82 -4.23 -0.02 -4.92 115.64 113.02 1wk0 s THR 118 Ca 0.47 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.70 1wk0 s THR 118 Cb -0.19 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 69.95 1wk0 s THR 118 CO 0.21 -0.16 1.03 -1.48 -0.54 0.00 0.00 174.62 173.67 1wk0 s LEU 119 N -3.24 3.02 0.85 4.79 2.34 -1.22 -1.27 118.68 123.95 1wk0 s LEU 119 Ca 0.40 0.98 -0.11 0.00 0.06 0.00 0.00 54.13 55.47 1wk0 s LEU 119 Cb -0.11 -3.79 0.10 0.00 -0.56 0.00 0.00 46.19 41.83 1wk0 s LEU 119 CO 0.28 -1.24 1.11 -0.44 -1.06 0.00 0.00 176.35 175.00 1wk0 s SER 120 N -4.34 3.72 0.32 1.48 0.01 -1.26 -0.22 113.70 113.41 1wk0 s SER 120 Ca 0.57 1.89 0.24 0.00 1.31 0.00 0.00 55.95 59.96 1wk0 s SER 120 Cb -0.11 -2.48 1.06 0.00 0.21 0.00 0.00 66.02 64.70 1wk0 s SER 120 CO 0.49 -2.54 1.09 0.00 0.41 0.00 0.00 173.24 172.70 1wk0 s GLU 122 N -4.71 3.09 -0.86 0.00 0.41 -1.26 -4.83 118.70 110.53 1wk0 s GLU 122 Ca -0.05 -0.74 -0.25 0.00 -0.41 0.00 0.00 54.97 53.52 1wk0 s GLU 122 Cb 0.21 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 29.75 1wk0 s GLU 122 CO 0.58 0.51 1.94 -1.25 -0.49 0.00 0.00 175.26 176.55 1wk0 s PRO 123 N -3.03 2.56 -0.21 0.39 0.04 -1.26 -4.73 135.00 128.77 1wk0 s PRO 123 Ca 0.32 -0.15 0.15 0.00 0.04 0.00 0.00 61.00 61.35 1wk0 s PRO 123 Cb -0.11 -4.96 0.50 0.00 0.04 0.00 0.00 34.50 29.97 1wk0 s PRO 123 CO 0.25 -3.29 1.41 -0.25 0.04 0.00 0.00 177.00 175.16 1wk0 n ASP 124 N 13.81 3.32 -4.37 6.66 9.92 -1.26 -4.97 116.55 139.67 1wk0 n ASP 124 Ca 0.37 -3.24 -0.33 0.00 -0.53 0.00 0.00 54.79 51.05 1wk0 n ASP 124 Cb 0.48 -0.56 -0.14 0.00 -0.64 0.00 0.00 41.12 40.26 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wk0 s ILE 125 N -2.96 3.20 0.98 0.53 -1.09 -1.26 -5.02 121.20 115.58 1wk0 s ILE 125 Ca 0.42 -0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 58.12 1wk0 s ILE 125 Cb 0.35 -2.38 0.18 0.00 -1.58 0.00 0.00 42.46 39.03 1wk0 s ILE 125 CO 0.06 0.50 1.09 -2.16 -1.23 0.00 0.00 174.94 173.20 1wk0 s PRO 126 N 0.63 0.58 -0.88 2.79 0.04 -1.26 -4.35 135.00 132.55 1wk0 s PRO 126 Ca -0.06 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 61.54 1wk0 s PRO 126 Cb -0.15 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1wk0 s PRO 126 CO 0.03 -2.64 0.75 -1.71 0.04 0.00 0.00 177.00 173.46 1wk0 n ASN 127 N -4.12 -3.60 -4.75 6.66 5.15 -1.26 -5.00 115.26 108.35 1wk0 n ASN 127 Ca 0.06 -0.51 -0.30 0.00 -0.60 0.00 0.00 54.58 53.22 1wk0 n ASN 127 Cb 0.57 -4.11 0.11 0.00 -0.53 0.00 0.00 39.78 35.82 1wk0 n ASN 127 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wk0 s PRO 128 N -4.62 1.81 0.50 1.20 0.04 -1.26 -5.05 135.00 127.61 1wk0 s PRO 128 Ca 0.16 1.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 1wk0 s PRO 128 Cb -0.02 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.79 1wk0 s PRO 128 CO 0.57 -1.91 0.45 -0.35 0.04 0.00 0.00 177.00 175.79 1wk0 n PRO 129 N -3.69 -1.89 -1.47 0.56 -0.04 -1.26 -4.80 135.00 122.42 1wk0 n PRO 129 Ca 0.08 -0.72 -0.45 0.00 -0.04 0.00 0.00 63.50 62.37 1wk0 n PRO 129 Cb 0.54 -0.67 -0.09 0.00 -0.04 0.00 0.00 33.50 33.24 1wk0 n PRO 129 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wk0 n ARG 130 N -2.87 0.67 -1.40 0.54 1.74 -1.26 -4.74 116.66 109.33 1wk0 n ARG 130 Ca 0.06 0.11 -0.55 0.00 -0.77 0.00 0.00 57.85 56.71 1wk0 n ARG 130 Cb 0.24 -2.34 -0.08 0.00 -1.02 0.00 0.00 32.46 29.26 1wk0 n ARG 130 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1wk0 n ILE 131 N 7.42 0.00 -3.56 0.55 -0.00 -1.26 -4.90 119.36 117.60 1wk0 n ILE 131 Ca 0.49 0.00 -0.28 0.00 -0.00 0.00 0.00 62.75 62.96 1wk0 n ILE 131 Cb 0.22 -0.26 -0.11 0.00 -0.00 0.00 0.00 39.64 39.50 1wk0 n ILE 131 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1wk0 s SER 132 N 1.56 2.62 -0.30 4.38 0.01 -1.26 -5.08 113.70 115.63 1wk0 s SER 132 Ca 0.84 -3.21 -0.28 0.00 1.31 0.00 0.00 55.95 54.61 1wk0 s SER 132 Cb -1.19 -0.82 0.20 0.00 0.21 0.00 0.00 66.02 64.42 1wk0 s SER 132 CO 0.61 -0.16 1.41 -0.83 0.41 0.00 0.00 173.24 174.69 1wk0 s GLY 133 N -0.30 0.19 -0.44 3.44 0.00 -1.26 -5.11 107.32 103.84 1wk0 s GLY 133 Ca 0.29 3.09 -0.28 0.00 0.00 0.00 0.00 44.72 47.82 1wk0 s GLY 133 CO -0.16 1.33 1.76 2.56 0.00 0.00 0.00 173.10 178.59 1wk0 s PRO 134 N -0.75 3.13 0.15 2.90 0.04 -1.26 -4.99 135.00 134.22 1wk0 s PRO 134 Ca 0.09 1.07 0.08 0.00 0.04 0.00 0.00 61.00 62.28 1wk0 s PRO 134 Cb -0.02 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1wk0 s PRO 134 CO -0.11 -2.11 -0.12 0.45 0.04 0.00 0.00 177.00 175.15 1wk0 s SER 135 N 6.44 4.18 -0.06 6.66 0.15 -1.26 -5.03 113.70 124.79 1wk0 s SER 135 Ca 0.72 -0.53 0.09 0.00 0.70 0.00 0.00 55.95 56.93 1wk0 s SER 135 Cb -0.18 -0.70 0.14 0.00 -1.71 0.00 0.00 66.02 63.57 1wk0 s SER 135 CO 0.29 0.14 1.03 -1.54 1.20 0.00 0.00 173.24 174.36 1wk0 n SER 136 N 0.40 1.82 0.00 5.45 3.41 -1.26 -5.29 113.62 118.15 1wk0 n SER 136 Ca -0.13 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1wk0 n SER 136 Cb 0.54 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1wk0 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49