#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 h SER 2 N 0.00 0.69 -2.99 1.61 4.64 -2.11 -3.43 113.55 111.95 1wk0 h SER 2 Ca 0.00 -0.23 -0.55 0.00 -0.47 0.00 0.00 61.79 60.53 1wk0 h SER 2 Cb 0.00 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 1wk0 h SER 2 CO 0.00 0.74 -0.32 -0.44 -0.87 0.00 0.00 176.83 175.95 1wk0 s SER 3 N -6.08 6.43 0.94 4.97 0.01 -1.26 -5.08 113.70 113.63 1wk0 s SER 3 Ca -0.13 0.49 -0.10 0.00 1.31 0.00 0.00 55.95 57.52 1wk0 s SER 3 Cb 0.11 -2.05 0.16 0.00 0.21 0.00 0.00 66.02 64.45 1wk0 s SER 3 CO 0.78 -0.01 1.13 -0.83 0.41 0.00 0.00 173.24 174.72 1wk0 s GLY 4 N -2.87 1.67 -0.35 3.44 0.00 -1.26 -4.89 107.32 103.06 1wk0 s GLY 4 Ca 0.40 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.60 1wk0 s GLY 4 CO 0.27 0.95 2.11 -1.14 0.00 0.00 0.00 173.10 175.29 1wk0 n SER 5 N -4.29 6.54 -4.49 1.64 3.41 -1.26 -4.98 113.62 110.18 1wk0 n SER 5 Ca 0.11 -3.12 -0.49 0.00 -0.26 0.00 0.00 58.87 55.11 1wk0 n SER 5 Cb 0.52 -1.08 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 1wk0 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wk0 n SER 6 N 0.35 0.02 0.00 4.04 7.64 -1.26 -4.93 113.62 119.48 1wk0 n SER 6 Ca 0.34 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1wk0 n SER 6 Cb 0.58 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1wk0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wk0 n GLY 7 N 1.78 3.75 0.16 0.23 0.00 -1.26 -5.06 105.19 104.79 1wk0 n GLY 7 Ca 0.16 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wk0 n ASP 8 N 0.00 2.08 -0.32 1.61 8.00 -1.26 -4.43 116.55 122.23 1wk0 n ASP 8 Ca 0.00 0.02 0.21 0.00 0.71 0.00 0.00 54.79 55.73 1wk0 n ASP 8 Cb 0.00 -0.46 0.40 0.00 -0.02 0.00 0.00 41.12 41.03 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wk0 n GLU 9 N -3.45 -0.07 -0.07 -1.24 1.02 -1.26 0.11 120.64 115.68 1wk0 n GLU 9 Ca -0.42 1.38 -0.10 0.00 -0.02 0.00 0.00 57.16 58.00 1wk0 n GLU 9 Cb 0.89 -2.31 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wk0 h GLU 10 N 0.00 0.33 -0.53 3.49 5.08 -1.99 -2.97 114.58 117.99 1wk0 h GLU 10 Ca 0.68 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.09 1wk0 h GLU 10 Cb 1.59 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.69 1wk0 h GLU 10 CO -0.83 0.33 -0.04 1.15 -1.00 0.00 0.00 179.01 178.62 1wk0 h THR 11 N 0.25 0.54 -0.17 1.13 2.02 0.54 -2.15 112.91 115.07 1wk0 h THR 11 Ca 0.08 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.28 1wk0 h THR 11 Cb 0.11 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 1wk0 h THR 11 CO -0.01 0.01 -0.47 0.11 0.37 0.00 0.00 175.52 175.54 1wk0 h LYS 12 N 0.08 -0.49 -0.94 6.66 1.57 -1.27 0.17 116.57 122.36 1wk0 h LYS 12 Ca 0.27 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.32 1wk0 h LYS 12 Cb 0.41 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 1wk0 h LYS 12 CO -0.48 -0.32 0.64 0.00 -0.57 0.00 0.00 179.45 178.72 1wk0 h ALA 13 N 0.01 2.48 -0.08 3.86 0.00 -1.35 0.16 119.26 124.34 1wk0 h ALA 13 Ca 0.07 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1wk0 h ALA 13 Cb 0.64 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wk0 h ALA 13 CO -0.44 -0.78 -0.85 0.74 0.00 0.00 0.00 179.25 177.92 1wk0 h PHE 14 N 0.24 0.89 -0.14 0.00 0.04 -0.27 0.22 116.94 117.93 1wk0 h PHE 14 Ca 0.48 -0.43 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1wk0 h PHE 14 Cb 1.47 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.49 1wk0 h PHE 14 CO -0.00 1.24 0.06 0.93 -0.60 0.00 0.00 178.31 179.94 1wk0 h GLU 15 N 0.41 0.19 0.04 1.51 5.08 0.19 0.18 114.58 122.19 1wk0 h GLU 15 Ca -0.07 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 57.94 1wk0 h GLU 15 Cb 1.47 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1wk0 h GLU 15 CO 0.16 0.16 -1.89 0.00 -1.00 0.00 0.00 179.01 176.45 1wk0 n ALA 16 N -2.51 0.97 0.26 3.43 0.00 -0.90 -3.81 120.51 117.95 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 0.11 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.52 -0.53 -2.05 0.00 5.85 -0.46 -2.09 115.31 115.51 1wk0 h LEU 17 Ca -0.47 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.36 1wk0 h LEU 17 Cb 1.68 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 1wk0 h LEU 17 CO -0.13 -0.34 0.31 -0.07 -0.34 0.00 0.00 178.44 177.87 1wk0 h LEU 18 N -0.68 0.00 -3.83 2.25 3.38 -0.84 0.25 115.31 115.85 1wk0 h LEU 18 Ca -0.06 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.60 1wk0 h LEU 18 Cb 0.50 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.07 1wk0 h LEU 18 CO 0.10 0.00 0.39 -0.24 0.09 0.00 0.00 178.44 178.79 1wk0 n SER 19 N -4.19 4.58 -0.72 -0.43 2.88 -0.91 -4.27 113.62 110.56 1wk0 n SER 19 Ca 0.06 -3.34 0.04 0.00 -1.33 0.00 0.00 58.87 54.31 1wk0 n SER 19 Cb 0.49 -0.78 0.19 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.43 1.90 -4.69 -3.46 5.15 0.87 -4.89 115.26 109.72 1wk0 n ASN 20 Ca 0.47 -3.85 -0.23 0.00 -0.60 0.00 0.00 54.58 50.37 1wk0 n ASN 20 Cb 1.49 -0.51 0.11 0.00 -0.53 0.00 0.00 39.78 40.34 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 -3.24 2.06 -0.05 -1.44 -0.00 -1.26 -2.93 121.20 114.33 1wk0 s ILE 21 Ca 0.39 -0.66 0.02 0.00 -0.00 0.00 0.00 60.65 60.40 1wk0 s ILE 21 Cb 0.37 -2.40 -0.03 0.00 -0.00 0.00 0.00 42.46 40.40 1wk0 s ILE 21 CO -0.07 0.00 -0.08 -0.69 -0.00 0.00 0.00 174.94 174.10 1wk0 s VAL 22 N -3.12 3.58 0.36 8.37 1.01 -1.24 -4.94 120.40 124.43 1wk0 s VAL 22 Ca 0.67 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1wk0 s VAL 22 Cb -0.05 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.74 1wk0 s VAL 22 CO 0.44 0.55 1.10 2.29 0.00 0.00 0.00 175.10 179.48 1wk0 n LYS 23 N 2.09 1.59 -2.25 2.72 2.85 -1.26 -4.18 118.16 119.71 1wk0 n LYS 23 Ca -0.17 0.56 -0.41 0.00 -1.05 0.00 0.00 58.31 57.24 1wk0 n LYS 23 Cb 0.53 -2.08 -0.03 0.00 -0.65 0.00 0.00 35.03 32.80 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 -1.86 4.46 -0.30 -1.58 0.04 -1.26 -4.74 135.00 129.76 1wk0 s PRO 24 Ca 0.60 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 1wk0 s PRO 24 Cb -0.60 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 1wk0 s PRO 24 CO 0.59 -0.04 0.19 0.08 0.04 0.00 0.00 177.00 177.86 1wk0 s VAL 25 N -1.08 5.16 -0.20 -0.36 1.01 -0.30 -4.66 120.40 119.98 1wk0 s VAL 25 Ca 0.48 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1wk0 s VAL 25 Cb -0.37 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1wk0 s VAL 25 CO 0.48 0.15 1.06 0.00 0.00 0.00 0.00 175.10 176.79 1wk0 s ALA 26 N 1.72 3.63 0.30 5.51 0.00 -1.26 -2.78 121.76 128.88 1wk0 s ALA 26 Ca 0.06 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1wk0 s ALA 26 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1wk0 s ALA 26 CO 0.10 -0.97 0.16 -1.12 0.00 0.00 0.00 175.76 173.92 1wk0 s SER 27 N 1.25 1.43 -0.41 0.00 0.01 -0.73 -4.82 113.70 110.43 1wk0 s SER 27 Ca 0.46 -1.54 -0.05 0.00 1.31 0.00 0.00 55.95 56.12 1wk0 s SER 27 Cb -0.16 0.38 0.05 0.00 0.21 0.00 0.00 66.02 66.50 1wk0 s SER 27 CO 0.09 -0.88 0.13 -0.67 0.41 0.00 0.00 173.24 172.32 1wk0 n ASP 28 N -0.88 -1.10 -4.66 2.44 2.03 -1.26 -1.73 116.55 111.39 1wk0 n ASP 28 Ca 0.01 0.07 -0.46 0.00 0.52 0.00 0.00 54.79 54.94 1wk0 n ASP 28 Cb 0.65 -1.05 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1wk0 n ILE 29 N -2.64 0.61 -4.33 5.18 5.41 -1.26 -4.30 119.36 118.03 1wk0 n ILE 29 Ca 0.03 -0.15 -0.15 0.00 1.00 0.00 0.00 62.75 63.48 1wk0 n ILE 29 Cb 0.45 -1.42 -0.03 0.00 -0.71 0.00 0.00 39.64 37.93 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 2.45 1.36 -0.02 0.38 6.02 0.24 -4.80 117.38 123.01 1wk0 n GLN 30 Ca 0.14 -1.68 -0.00 0.00 -0.01 0.00 0.00 57.00 55.44 1wk0 n GLN 30 Cb 0.30 0.50 -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 -2.24 -0.02 -0.00 -1.58 0.00 -1.26 -3.54 120.51 111.86 1wk0 n ALA 31 Ca -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wk0 n ALA 31 Cb 0.29 0.41 -0.01 0.00 0.00 0.00 0.00 19.45 20.15 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 2.25 -3.45 0.00 3.00 -1.26 -3.81 116.66 110.43 1wk0 n ARG 32 Ca 0.00 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.85 57.55 1wk0 n ARG 32 Cb 0.01 -1.03 -0.03 0.00 0.00 0.00 0.00 32.46 31.40 1wk0 n ARG 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wk0 s THR 33 N -2.05 5.07 0.25 0.55 -4.23 -1.26 -4.02 115.64 109.94 1wk0 s THR 33 Ca -0.01 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 1wk0 s THR 33 Cb 0.01 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.14 1wk0 s THR 33 CO 0.05 -0.24 0.56 0.68 -0.54 0.00 0.00 174.62 175.13 1wk0 s VAL 34 N -1.98 0.00 -0.44 2.29 -7.23 -1.18 0.83 120.40 112.70 1wk0 s VAL 34 Ca 0.43 -1.21 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 1wk0 s VAL 34 Cb -0.11 -2.07 0.11 0.00 0.56 0.00 0.00 36.38 34.87 1wk0 s VAL 34 CO 0.29 -0.02 0.28 -0.69 -0.31 0.00 0.00 175.10 174.65 1wk0 s VAL 35 N -3.97 3.94 -0.40 1.32 1.01 -0.71 -1.66 120.40 119.93 1wk0 s VAL 35 Ca 0.17 -1.77 -0.17 0.00 0.00 0.00 0.00 61.98 60.22 1wk0 s VAL 35 Cb -0.02 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1wk0 s VAL 35 CO 0.07 -0.68 0.44 -0.22 0.00 0.00 0.00 175.10 174.71 1wk0 s LEU 36 N 1.31 4.71 -0.15 3.92 2.96 -0.54 -1.77 118.68 129.12 1wk0 s LEU 36 Ca 0.05 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1wk0 s LEU 36 Cb -0.24 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.04 1wk0 s LEU 36 CO -0.01 -0.54 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.38 1wk0 s THR 37 N 2.18 2.08 0.20 3.68 2.01 -1.12 -1.74 115.64 122.92 1wk0 s THR 37 Ca 0.13 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1wk0 s THR 37 Cb -0.17 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1wk0 s THR 37 CO 0.14 0.55 -0.09 -1.66 -0.69 0.00 0.00 174.62 172.87 1wk0 s TRP 38 N 0.87 1.52 0.11 4.92 -2.14 -1.12 -1.15 118.94 121.96 1wk0 s TRP 38 Ca -0.05 -0.74 -0.01 0.00 2.66 0.00 0.00 56.10 57.96 1wk0 s TRP 38 Cb -0.15 -0.79 -0.04 0.00 -3.10 0.00 0.00 33.47 29.38 1wk0 s TRP 38 CO -0.03 0.15 0.28 -1.12 -2.66 0.00 0.00 176.95 173.56 1wk0 s SER 39 N -3.27 6.39 0.78 -2.66 0.01 -1.26 -4.71 113.70 108.99 1wk0 s SER 39 Ca 0.22 0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 1wk0 s SER 39 Cb 0.02 -1.99 0.06 0.00 0.21 0.00 0.00 66.02 64.33 1wk0 s SER 39 CO 0.05 0.10 1.09 -2.16 0.41 0.00 0.00 173.24 172.74 1wk0 s PRO 40 N -2.74 2.17 0.67 12.44 0.04 -1.26 -3.61 135.00 142.72 1wk0 s PRO 40 Ca 0.37 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 1wk0 s PRO 40 Cb -0.12 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1wk0 s PRO 40 CO 0.27 -1.69 1.11 -1.25 0.04 0.00 0.00 177.00 175.48 1wk0 s PRO 41 N -4.91 2.73 -0.31 0.56 0.04 -1.26 -4.60 135.00 127.25 1wk0 s PRO 41 Ca 0.61 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 1wk0 s PRO 41 Cb -0.17 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1wk0 s PRO 41 CO 0.56 -1.30 0.03 -1.12 0.04 0.00 0.00 177.00 175.21 1wk0 s SER 42 N -2.69 4.99 0.14 6.66 0.01 -1.15 -4.95 113.70 116.71 1wk0 s SER 42 Ca 0.66 -1.27 -0.31 0.00 1.31 0.00 0.00 55.95 56.34 1wk0 s SER 42 Cb -0.20 -1.75 -0.09 0.00 0.21 0.00 0.00 66.02 64.19 1wk0 s SER 42 CO 0.43 -0.28 1.58 -0.55 0.41 0.00 0.00 173.24 174.83 1wk0 s SER 43 N 1.30 6.61 -0.20 2.44 0.15 -1.26 -4.84 113.70 117.90 1wk0 s SER 43 Ca -0.04 2.56 0.05 0.00 0.70 0.00 0.00 55.95 59.22 1wk0 s SER 43 Cb -0.20 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 61.94 1wk0 s SER 43 CO -0.00 -0.83 1.37 0.18 1.20 0.00 0.00 173.24 175.16 1wk0 n LEU 44 N 4.38 4.43 0.15 3.45 4.77 -1.26 -4.40 117.00 128.52 1wk0 n LEU 44 Ca 0.14 -2.30 0.09 0.00 -0.03 0.00 0.00 56.01 53.91 1wk0 n LEU 44 Cb 0.39 -0.65 0.47 0.00 -2.33 0.00 0.00 43.42 41.30 1wk0 n LEU 44 CO 0.62 0.65 0.80 -0.38 -1.33 0.00 0.00 177.39 177.74 1wk0 n ILE 45 N -0.06 0.93 -1.79 -0.08 2.08 -1.26 -4.78 119.36 114.40 1wk0 n ILE 45 Ca 0.25 0.72 -0.07 0.00 0.56 0.00 0.00 62.75 64.21 1wk0 n ILE 45 Cb 0.98 -1.72 -0.01 0.00 -0.75 0.00 0.00 39.64 38.14 1wk0 n ILE 45 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1wk0 n ASN 46 N -2.12 -3.18 0.00 4.38 3.02 -1.26 -2.69 115.26 113.40 1wk0 n ASN 46 Ca -0.01 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1wk0 n ASN 46 Cb 0.14 -2.06 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 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 -1.42 2.72 0.41 7.41 0.00 -1.26 -4.82 105.19 108.23 1wk0 n GLY 47 Ca -0.08 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.12 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 1.68 0.00 -6.30 1.61 4.57 -1.90 -3.39 114.58 110.85 1wk0 h GLU 48 Ca 0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 1wk0 h GLU 48 Cb 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.49 1wk0 h GLU 48 CO 0.00 0.00 -0.63 -0.08 -1.18 0.00 0.00 179.01 177.12 1wk0 s THR 49 N -4.35 4.03 0.68 0.32 -1.32 -1.26 -5.10 115.64 108.63 1wk0 s THR 49 Ca -0.03 -1.21 -0.17 0.00 -1.21 0.00 0.00 61.69 59.08 1wk0 s THR 49 Cb 0.11 -3.01 -0.00 0.00 -1.51 0.00 0.00 72.50 68.09 1wk0 s THR 49 CO 0.38 -0.05 1.12 0.47 -2.21 0.00 0.00 174.62 174.33 1wk0 n ASP 50 N 0.00 1.22 0.16 8.08 8.00 -1.26 -4.89 116.55 127.86 1wk0 n ASP 50 Ca -0.10 0.75 0.03 0.00 0.71 0.00 0.00 54.79 56.19 1wk0 n ASP 50 Cb 0.54 -1.47 0.41 0.00 -0.02 0.00 0.00 41.12 40.58 1wk0 n ASP 50 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1wk0 h GLU 51 N 0.13 0.14 -1.28 -1.24 4.11 -1.99 -2.67 114.58 111.78 1wk0 h GLU 51 Ca -0.49 -0.03 -0.53 0.00 0.07 0.00 0.00 59.36 58.38 1wk0 h GLU 51 Cb 1.34 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.35 1wk0 h GLU 51 CO 0.50 0.33 0.68 0.43 0.07 0.00 0.00 179.01 181.02 1wk0 n SER 52 N -4.26 7.17 -0.03 3.06 7.64 -1.26 -4.37 113.62 121.57 1wk0 n SER 52 Ca -0.01 -3.48 -0.06 0.00 1.01 0.00 0.00 58.87 56.32 1wk0 n SER 52 Cb 0.29 -1.02 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 1wk0 n SER 52 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wk0 n SER 53 N -0.33 1.48 -4.68 6.43 7.64 -1.01 -4.98 113.62 118.18 1wk0 n SER 53 Ca 0.49 0.23 -0.48 0.00 1.01 0.00 0.00 58.87 60.12 1wk0 n SER 53 Cb 0.61 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1wk0 n VAL 54 N -3.96 0.57 -1.24 0.44 0.24 -1.26 -4.94 118.33 108.17 1wk0 n VAL 54 Ca -0.11 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.34 61.78 1wk0 n VAL 54 Cb 0.34 -1.87 0.10 0.00 -1.47 0.00 0.00 33.84 30.94 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 4.04 2.03 -0.20 7.34 0.04 -1.26 -4.99 135.00 142.00 1wk0 s PRO 55 Ca 0.93 1.09 0.12 0.00 0.04 0.00 0.00 61.00 63.18 1wk0 s PRO 55 Cb -0.69 -1.88 0.41 0.00 0.04 0.00 0.00 34.50 32.38 1wk0 s PRO 55 CO 0.52 -1.78 1.21 -0.85 0.04 0.00 0.00 177.00 176.14 1wk0 n GLU 56 N -3.61 1.54 -0.62 4.56 0.28 -1.26 -4.65 120.64 116.88 1wk0 n GLU 56 Ca 0.09 -3.24 0.03 0.00 -0.16 0.00 0.00 57.16 53.88 1wk0 n GLU 56 Cb 0.53 -1.58 0.25 0.00 1.43 0.00 0.00 31.44 32.07 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 -1.11 4.27 -4.65 -1.84 7.99 -1.26 -4.93 117.00 115.47 1wk0 n LEU 57 Ca 0.19 -3.24 -0.49 0.00 -0.01 0.00 0.00 56.01 52.45 1wk0 n LEU 57 Cb 0.70 -0.60 -0.05 0.00 -0.11 0.00 0.00 43.42 43.36 1wk0 n LEU 57 CO -0.04 0.84 1.54 -1.22 -1.51 0.00 0.00 177.39 177.00 1wk0 n TYR 58 N -0.63 2.20 -1.92 -1.77 4.01 -1.26 -4.79 117.16 113.00 1wk0 n TYR 58 Ca 0.27 0.07 -0.41 0.00 -0.16 0.00 0.00 57.90 57.68 1wk0 n TYR 58 Cb 1.00 -2.63 -0.03 0.00 -0.31 0.00 0.00 39.34 37.37 1wk0 n TYR 58 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1wk0 s GLY 59 N 4.68 0.50 -0.25 2.72 0.00 0.37 -4.46 107.32 110.87 1wk0 s GLY 59 Ca 0.96 0.09 -0.14 0.00 0.00 0.00 0.00 44.72 45.62 1wk0 s GLY 59 CO 0.52 3.45 0.35 -0.19 0.00 0.00 0.00 173.10 177.23 1wk0 s TYR 60 N 8.09 3.28 -0.20 1.90 2.02 0.15 -1.04 117.35 131.56 1wk0 s TYR 60 Ca 0.81 0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 57.90 1wk0 s TYR 60 Cb -0.21 -2.52 -0.01 0.00 -0.40 0.00 0.00 41.96 38.82 1wk0 s TYR 60 CO 0.30 -0.15 -0.08 -2.00 -1.57 0.00 0.00 175.55 172.05 1wk0 s GLU 61 N 1.81 3.35 -0.38 -0.62 2.12 0.11 -2.60 118.70 122.50 1wk0 s GLU 61 Ca 0.15 -0.65 -0.23 0.00 0.36 0.00 0.00 54.97 54.60 1wk0 s GLU 61 Cb -0.15 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.36 1wk0 s GLU 61 CO 0.09 -0.10 0.76 0.08 -0.54 0.00 0.00 175.26 175.56 1wk0 s VAL 62 N 1.18 4.74 -0.19 3.70 1.01 -0.75 -0.20 120.40 129.89 1wk0 s VAL 62 Ca 0.02 0.77 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 1wk0 s VAL 62 Cb -0.14 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1wk0 s VAL 62 CO -0.02 -0.46 0.03 -0.76 0.00 0.00 0.00 175.10 173.89 1wk0 s LEU 63 N 3.08 3.53 0.06 3.92 1.43 0.31 -2.40 118.68 128.61 1wk0 s LEU 63 Ca 0.30 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1wk0 s LEU 63 Cb -0.13 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1wk0 s LEU 63 CO 0.18 0.11 -0.15 0.27 0.23 0.00 0.00 176.35 176.99 1wk0 s ILE 64 N 0.72 1.19 -0.51 -0.59 -4.36 -1.17 -1.19 121.20 115.29 1wk0 s ILE 64 Ca 0.02 -1.23 0.04 0.00 -0.26 0.00 0.00 60.65 59.22 1wk0 s ILE 64 Cb -0.14 -1.11 0.16 0.00 1.25 0.00 0.00 42.46 42.62 1wk0 s ILE 64 CO 0.02 -0.12 0.37 -0.94 0.24 0.00 0.00 174.94 174.51 1wk0 s SER 65 N -1.54 3.07 0.38 4.36 1.04 -1.21 -2.35 113.70 117.44 1wk0 s SER 65 Ca 0.00 -3.22 0.23 0.00 0.48 0.00 0.00 55.95 53.44 1wk0 s SER 65 Cb -0.09 -0.96 1.36 0.00 0.10 0.00 0.00 66.02 66.43 1wk0 s SER 65 CO 0.02 -0.16 1.59 0.77 0.98 0.00 0.00 173.24 176.43 1wk0 h SER 66 N 5.82 0.31 0.13 7.02 4.64 -1.89 0.46 113.55 130.05 1wk0 h SER 66 Ca 0.16 0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1wk0 h SER 66 Cb 0.86 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1wk0 h SER 66 CO 0.51 -0.38 -0.06 0.74 -0.87 0.00 0.00 176.83 176.76 1wk0 h THR 67 N 0.02 1.00 0.00 2.95 2.02 -1.90 -3.43 112.91 113.57 1wk0 h THR 67 Ca 0.85 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1wk0 h THR 67 Cb 2.32 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1wk0 h THR 67 CO -0.70 0.13 0.00 0.61 0.37 0.00 0.00 175.52 175.93 1wk0 n GLY 68 N -0.46 2.27 0.31 2.16 0.00 0.16 -4.97 105.19 104.66 1wk0 n GLY 68 Ca -0.09 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 0.26 -1.71 1.61 3.64 -1.93 0.28 116.57 118.71 1wk0 h LYS 69 Ca 0.00 -0.02 -0.44 0.00 -1.27 0.00 0.00 60.65 58.92 1wk0 h LYS 69 Cb 0.00 -0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 31.59 1wk0 h LYS 69 CO 0.00 0.17 0.45 -0.25 -2.27 0.00 0.00 179.45 177.55 1wk0 n ASP 70 N -5.16 6.59 0.00 4.20 8.00 -1.26 -4.86 116.55 124.06 1wk0 n ASP 70 Ca 0.23 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1wk0 n ASP 70 Cb 0.73 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 0.47 5.26 3.78 0.44 0.00 0.97 -5.13 105.19 110.98 1wk0 n GLY 71 Ca 0.42 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 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 2.23 4.21 0.14 1.61 2.47 -1.26 -4.98 119.74 124.16 1wk0 s LYS 72 Ca 0.00 0.59 0.05 0.00 -1.56 0.00 0.00 55.97 55.06 1wk0 s LYS 72 Cb 0.00 -3.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 1wk0 s LYS 72 CO 0.00 0.44 0.05 0.71 0.16 0.00 0.00 175.35 176.71 1wk0 s TYR 73 N -0.37 3.01 0.06 4.03 1.51 -1.26 -4.09 117.35 120.25 1wk0 s TYR 73 Ca 0.28 -0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1wk0 s TYR 73 Cb -0.17 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1wk0 s TYR 73 CO 0.15 0.51 -0.07 -1.59 -1.11 0.00 0.00 175.55 173.44 1wk0 s LYS 74 N -2.78 0.65 -0.90 -0.62 -2.85 -0.99 -4.91 119.74 107.33 1wk0 s LYS 74 Ca 0.28 -0.99 -0.17 0.00 -1.00 0.00 0.00 55.97 54.09 1wk0 s LYS 74 Cb -0.10 -0.25 0.16 0.00 -2.06 0.00 0.00 37.83 35.57 1wk0 s LYS 74 CO 0.20 0.02 1.03 -1.54 0.10 0.00 0.00 175.35 175.16 1wk0 s SER 75 N -2.18 6.67 -0.01 0.03 1.04 -1.26 -3.04 113.70 114.95 1wk0 s SER 75 Ca -0.01 -2.23 -0.24 0.00 0.48 0.00 0.00 55.95 53.95 1wk0 s SER 75 Cb -0.04 -2.35 -0.18 0.00 0.10 0.00 0.00 66.02 63.56 1wk0 s SER 75 CO -0.02 -0.93 1.20 -0.37 0.98 0.00 0.00 173.24 174.10 1wk0 h VAL 76 N 5.54 0.99 -3.73 5.02 -1.51 -1.88 -3.45 116.25 117.23 1wk0 h VAL 76 Ca 0.14 -0.87 -0.49 0.00 -1.23 0.00 0.00 66.70 64.25 1wk0 h VAL 76 Cb 1.03 1.50 -0.32 0.00 -2.13 0.00 0.00 31.29 31.37 1wk0 h VAL 76 CO 1.01 0.20 -0.81 -0.47 -1.23 0.00 0.00 177.57 176.26 1wk0 s TYR 77 N -4.34 1.30 -0.27 5.19 6.14 -1.26 -4.95 117.35 119.16 1wk0 s TYR 77 Ca -0.14 -0.38 -0.02 0.00 0.64 0.00 0.00 57.07 57.16 1wk0 s TYR 77 Cb 0.02 -0.92 0.09 0.00 0.42 0.00 0.00 41.96 41.57 1wk0 s TYR 77 CO 0.58 -0.17 0.09 0.08 0.64 0.00 0.00 175.55 176.77 1wk0 s VAL 78 N 0.29 0.54 0.00 3.14 1.01 -1.26 -1.81 120.40 122.30 1wk0 s VAL 78 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1wk0 s VAL 78 Cb -0.11 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1wk0 s VAL 78 CO 0.02 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1wk0 n GLY 79 N 5.01 2.96 0.09 4.51 0.00 -1.07 -4.99 105.19 111.70 1wk0 n GLY 79 Ca -0.05 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1wk0 n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wk0 n GLU 80 N 0.00 1.03 -1.28 1.61 4.71 -1.26 0.35 120.64 125.79 1wk0 n GLU 80 Ca 0.00 0.05 -0.39 0.00 -0.01 0.00 0.00 57.16 56.81 1wk0 n GLU 80 Cb 0.00 -1.39 0.01 0.00 -1.01 0.00 0.00 31.44 29.05 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 -2.80 0.06 0.00 3.49 1.02 -1.26 -4.72 120.64 116.43 1wk0 n GLU 81 Ca -0.29 0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.65 1wk0 n GLU 81 Cb 0.93 -1.08 -0.14 0.00 -0.02 0.00 0.00 31.44 31.13 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 0.06 0.84 -3.39 2.62 1.35 -1.94 -3.46 112.91 109.00 1wk0 h THR 82 Ca -0.41 -2.36 -0.67 0.00 -0.55 0.00 0.00 66.41 62.42 1wk0 h THR 82 Cb 1.44 2.57 -0.31 0.00 -1.73 0.00 0.00 68.15 70.12 1wk0 h THR 82 CO 0.43 0.75 -0.76 0.21 -0.25 0.00 0.00 175.52 175.90 1wk0 s ASN 83 N -7.06 4.06 0.24 5.36 3.04 -1.26 -2.78 114.94 116.56 1wk0 s ASN 83 Ca -0.21 -0.69 0.03 0.00 0.04 0.00 0.00 52.86 52.02 1wk0 s ASN 83 Cb 0.06 -1.65 -0.05 0.00 -1.54 0.00 0.00 41.25 38.07 1wk0 s ASN 83 CO 0.76 -0.07 0.02 0.27 -3.04 0.00 0.00 177.10 175.04 1wk0 s ILE 84 N 1.36 0.95 -0.34 -5.21 -0.00 -0.71 -4.98 121.20 112.27 1wk0 s ILE 84 Ca 0.03 -2.02 -0.10 0.00 -0.00 0.00 0.00 60.65 58.56 1wk0 s ILE 84 Cb -0.15 -2.43 0.01 0.00 -0.00 0.00 0.00 42.46 39.88 1wk0 s ILE 84 CO -0.06 -0.24 0.17 -0.89 -0.00 0.00 0.00 174.94 173.92 1wk0 s THR 85 N -3.48 4.56 0.60 8.37 2.01 -1.26 -1.47 115.64 124.97 1wk0 s THR 85 Ca 0.31 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 1wk0 s THR 85 Cb 0.06 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1wk0 s THR 85 CO 0.10 -0.06 1.13 -0.76 -0.69 0.00 0.00 174.62 174.35 1wk0 s LEU 86 N 1.58 3.58 0.31 4.42 1.43 -0.67 -4.85 118.68 124.49 1wk0 s LEU 86 Ca 0.03 2.13 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 1wk0 s LEU 86 Cb -0.18 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.47 1wk0 s LEU 86 CO 0.06 -1.46 0.49 0.54 0.23 0.00 0.00 176.35 176.22 1wk0 s ASN 87 N -2.08 0.45 -1.75 2.29 2.20 -1.26 -3.07 114.94 111.71 1wk0 s ASN 87 Ca 0.71 -1.26 0.00 0.00 -0.94 0.00 0.00 52.86 51.37 1wk0 s ASN 87 Cb -0.23 0.64 0.00 0.00 -2.00 0.00 0.00 41.25 39.66 1wk0 s ASN 87 CO 0.34 -1.26 0.00 0.47 -2.94 0.00 0.00 177.10 173.71 1wk0 n ASP 88 N -1.01 -5.26 -4.67 3.54 9.92 -1.26 -4.98 116.55 112.83 1wk0 n ASP 88 Ca -0.01 0.22 -0.24 0.00 -0.53 0.00 0.00 54.79 54.23 1wk0 n ASP 88 Cb 0.62 -4.35 0.11 0.00 -0.64 0.00 0.00 41.12 36.86 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 -4.72 2.97 -0.24 0.64 1.43 -1.26 -5.08 118.68 112.43 1wk0 s LEU 89 Ca 0.00 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1wk0 s LEU 89 Cb 0.00 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1wk0 s LEU 89 CO 0.00 -1.86 0.03 -0.75 0.23 0.00 0.00 176.35 173.99 1wk0 s LYS 90 N -5.17 3.56 0.50 1.70 2.47 -1.26 -4.80 119.74 116.73 1wk0 s LYS 90 Ca 0.66 -0.53 -0.21 0.00 -1.56 0.00 0.00 55.97 54.33 1wk0 s LYS 90 Cb -0.06 -3.20 -0.07 0.00 -1.46 0.00 0.00 37.83 33.05 1wk0 s LYS 90 CO 0.44 -0.17 1.15 -1.25 0.16 0.00 0.00 175.35 175.68 1wk0 s PRO 91 N 1.52 3.57 -1.20 4.03 0.04 -1.25 -3.47 135.00 138.23 1wk0 s PRO 91 Ca 0.06 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 1wk0 s PRO 91 Cb -0.15 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.18 1wk0 s PRO 91 CO 0.01 -0.69 0.63 0.00 0.04 0.00 0.00 177.00 176.99 1wk0 n ALA 92 N -0.87 -0.86 -2.68 8.56 0.00 -0.15 -4.85 120.51 119.66 1wk0 n ALA 92 Ca 0.09 0.26 -0.19 0.00 0.00 0.00 0.00 53.44 53.61 1wk0 n ALA 92 Cb 0.49 -3.63 -0.14 0.00 0.00 0.00 0.00 19.45 16.18 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 -5.64 0.81 -0.23 0.00 0.00 -1.23 -4.96 119.30 108.05 1wk0 s MET 93 Ca 0.31 -0.53 -0.04 0.00 0.00 0.00 0.00 55.69 55.43 1wk0 s MET 93 Cb -0.14 -0.77 -0.00 0.00 0.00 0.00 0.00 34.83 33.92 1wk0 s MET 93 CO 0.39 0.20 -0.03 0.34 0.00 0.00 0.00 175.02 175.92 1wk0 s ASP 94 N -0.69 4.41 0.16 1.11 2.15 -1.26 -2.77 116.67 119.78 1wk0 s ASP 94 Ca 0.01 -0.51 -0.09 0.00 0.43 0.00 0.00 52.55 52.40 1wk0 s ASP 94 Cb -0.06 -1.75 -0.01 0.00 -0.30 0.00 0.00 42.92 40.81 1wk0 s ASP 94 CO 0.00 -0.06 0.29 -0.72 -0.17 0.00 0.00 175.17 174.51 1wk0 s TYR 95 N 1.46 0.36 0.35 -5.34 1.13 -1.26 -4.87 117.35 109.18 1wk0 s TYR 95 Ca 0.05 -0.73 -0.01 0.00 -1.41 0.00 0.00 57.07 54.96 1wk0 s TYR 95 Cb -0.15 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 1wk0 s TYR 95 CO -0.03 -0.72 0.58 -1.01 -2.51 0.00 0.00 175.55 171.86 1wk0 s HIS 96 N -3.96 3.51 -0.04 -3.49 3.76 -1.26 -2.75 115.29 111.06 1wk0 s HIS 96 Ca 0.16 0.47 -0.02 0.00 -0.15 0.00 0.00 55.06 55.51 1wk0 s HIS 96 Cb 0.03 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.76 1wk0 s HIS 96 CO -0.01 0.08 0.10 0.00 -0.85 0.00 0.00 174.74 174.06 1wk0 s ALA 97 N -2.32 -0.17 0.23 -1.40 0.00 -0.71 -3.35 121.76 114.03 1wk0 s ALA 97 Ca 0.42 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1wk0 s ALA 97 Cb -0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1wk0 s ALA 97 CO 0.36 -0.10 -0.06 0.15 0.00 0.00 0.00 175.76 176.11 1wk0 s LYS 98 N 0.66 1.35 -0.15 0.00 1.02 -0.34 0.16 119.74 122.44 1wk0 s LYS 98 Ca -0.05 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.29 1wk0 s LYS 98 Cb -0.07 -0.86 0.02 0.00 -0.52 0.00 0.00 37.83 36.40 1wk0 s LYS 98 CO -0.03 0.02 -0.14 0.54 -0.92 0.00 0.00 175.35 174.83 1wk0 s VAL 99 N -3.21 1.54 -0.24 3.17 0.11 -1.25 -0.53 120.40 119.99 1wk0 s VAL 99 Ca 0.26 -0.61 -0.11 0.00 -2.93 0.00 0.00 61.98 58.59 1wk0 s VAL 99 Cb 0.03 -1.45 -0.05 0.00 -1.53 0.00 0.00 36.38 33.39 1wk0 s VAL 99 CO 0.08 0.45 0.17 -1.58 -3.33 0.00 0.00 175.10 170.89 1wk0 s GLN 100 N 1.50 4.08 -0.20 1.54 0.74 0.72 -2.35 119.66 125.70 1wk0 s GLN 100 Ca 0.05 -0.25 -0.09 0.00 0.05 0.00 0.00 55.36 55.12 1wk0 s GLN 100 Cb -0.13 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 1wk0 s GLN 100 CO -0.11 0.06 0.09 0.00 -0.55 0.00 0.00 175.29 174.79 1wk0 s ALA 101 N 1.04 3.51 0.01 1.58 0.00 -1.25 0.06 121.76 126.72 1wk0 s ALA 101 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1wk0 s ALA 101 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1wk0 s ALA 101 CO 0.04 0.11 -0.02 -1.83 0.00 0.00 0.00 175.76 174.06 1wk0 s GLU 102 N 0.49 0.17 -0.02 0.00 1.03 -0.21 -2.55 118.70 117.61 1wk0 s GLU 102 Ca 0.05 -0.25 -0.05 0.00 0.03 0.00 0.00 54.97 54.75 1wk0 s GLU 102 Cb -0.12 -0.03 0.01 0.00 -0.80 0.00 0.00 34.13 33.19 1wk0 s GLU 102 CO 0.00 -0.00 0.12 -0.47 -1.33 0.00 0.00 175.26 173.59 1wk0 s TYR 103 N -0.53 -0.04 -1.57 4.83 6.14 -0.80 -0.48 117.35 124.90 1wk0 s TYR 103 Ca -0.05 0.09 -0.13 0.00 0.64 0.00 0.00 57.07 57.62 1wk0 s TYR 103 Cb -0.04 -0.01 0.10 0.00 0.42 0.00 0.00 41.96 42.43 1wk0 s TYR 103 CO -0.00 -0.17 0.79 -1.71 0.64 0.00 0.00 175.55 175.09 1wk0 n ASN 104 N 2.24 -3.17 -2.39 4.32 2.85 -1.26 0.12 115.26 117.98 1wk0 n ASN 104 Ca -0.18 -0.92 -0.18 0.00 -0.11 0.00 0.00 54.58 53.19 1wk0 n ASN 104 Cb 0.57 -3.26 0.02 0.00 1.24 0.00 0.00 39.78 38.35 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wk0 n SER 105 N -2.80 -5.27 -3.97 1.20 7.64 -1.26 -4.98 113.62 104.18 1wk0 n SER 105 Ca -0.02 -0.19 -0.31 0.00 1.01 0.00 0.00 58.87 59.36 1wk0 n SER 105 Cb 0.55 -4.17 -0.15 0.00 -1.01 0.00 0.00 64.21 59.43 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 -3.02 2.01 -0.19 0.44 1.01 0.12 -5.09 121.20 116.47 1wk0 s ILE 106 Ca 0.19 -2.08 -0.25 0.00 0.00 0.00 0.00 60.65 58.51 1wk0 s ILE 106 Cb -0.08 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1wk0 s ILE 106 CO 0.24 -0.54 0.84 -0.54 0.00 0.00 0.00 174.94 174.94 1wk0 s LYS 107 N 1.06 4.26 0.00 2.79 3.01 -1.26 -1.90 119.74 127.70 1wk0 s LYS 107 Ca 0.08 1.02 0.00 0.00 -1.01 0.00 0.00 55.97 56.06 1wk0 s LYS 107 Cb -0.19 -3.60 0.00 0.00 -1.01 0.00 0.00 37.83 33.03 1wk0 s LYS 107 CO -0.10 -0.40 0.00 0.41 0.51 0.00 0.00 175.35 175.76 1wk0 n GLY 108 N 3.54 0.73 2.89 -3.33 0.00 -1.06 -4.99 105.19 102.97 1wk0 n GLY 108 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1wk0 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wk0 s THR 109 N 1.36 0.19 0.00 2.61 2.01 -1.26 -4.99 115.64 115.55 1wk0 s THR 109 Ca 0.00 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1wk0 s THR 109 Cb 0.00 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.26 1wk0 s THR 109 CO 0.00 0.08 1.45 -2.16 -0.69 0.00 0.00 174.62 173.30 1wk0 s PRO 110 N 0.23 4.26 0.62 4.92 0.04 -1.26 -4.50 135.00 139.31 1wk0 s PRO 110 Ca -0.02 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1wk0 s PRO 110 Cb -0.04 -3.61 0.13 0.00 0.04 0.00 0.00 34.50 31.02 1wk0 s PRO 110 CO -0.01 -0.62 0.30 -1.13 0.04 0.00 0.00 177.00 175.59 1wk0 n SER 111 N 5.55 -2.43 -3.69 6.66 3.41 -0.99 -4.87 113.62 117.26 1wk0 n SER 111 Ca 0.14 -0.30 -0.26 0.00 -0.26 0.00 0.00 58.87 58.18 1wk0 n SER 111 Cb 0.43 -0.45 0.22 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.93 -3.19 -3.53 4.33 4.71 -1.26 -4.59 120.64 115.18 1wk0 n GLU 112 Ca 0.05 -0.94 -0.42 0.00 -0.01 0.00 0.00 57.16 55.84 1wk0 n GLU 112 Cb 0.21 -1.76 -0.09 0.00 -1.01 0.00 0.00 31.44 28.78 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wk0 s ALA 113 N -2.15 3.38 -0.54 0.62 0.00 -1.26 -4.33 121.76 117.48 1wk0 s ALA 113 Ca 0.55 -2.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.22 1wk0 s ALA 113 Cb -0.12 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1wk0 s ALA 113 CO 0.51 -1.63 0.84 -2.00 0.00 0.00 0.00 175.76 173.48 1wk0 s GLU 114 N 1.52 3.26 0.39 0.00 2.56 0.12 -4.65 118.70 121.91 1wk0 s GLU 114 Ca 0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 54.97 54.30 1wk0 s GLU 114 Cb -0.23 -4.07 -0.10 0.00 2.00 0.00 0.00 34.13 31.73 1wk0 s GLU 114 CO 0.04 -1.40 0.96 -1.50 -0.56 0.00 0.00 175.26 172.80 1wk0 s ILE 115 N 3.51 4.27 -0.26 -3.70 2.07 -1.26 -1.74 121.20 124.10 1wk0 s ILE 115 Ca 0.25 1.58 -0.10 0.00 -1.41 0.00 0.00 60.65 60.97 1wk0 s ILE 115 Cb -0.15 -3.74 0.11 0.00 0.13 0.00 0.00 42.46 38.81 1wk0 s ILE 115 CO 0.17 -0.15 0.57 0.72 -1.91 0.00 0.00 174.94 174.34 1wk0 s PHE 116 N -1.96 -1.09 -0.03 3.50 -0.71 -1.11 -4.89 117.98 111.69 1wk0 s PHE 116 Ca 0.58 2.00 -0.29 0.00 -1.04 0.00 0.00 56.93 58.18 1wk0 s PHE 116 Cb -0.13 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1wk0 s PHE 116 CO 0.18 -0.57 0.93 0.99 -1.34 0.00 0.00 175.22 175.41 1wk0 s THR 117 N 2.51 4.89 -0.03 -4.49 2.01 -1.26 -4.22 115.64 115.04 1wk0 s THR 117 Ca -0.06 1.94 -0.10 0.00 0.31 0.00 0.00 61.69 63.79 1wk0 s THR 117 Cb -0.11 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1wk0 s THR 117 CO -0.17 0.15 0.29 0.42 -0.69 0.00 0.00 174.62 174.62 1wk0 s THR 118 N 1.16 5.25 1.01 -0.82 -4.23 -1.11 -4.93 115.64 111.95 1wk0 s THR 118 Ca 0.49 0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 61.31 1wk0 s THR 118 Cb -0.20 -3.57 0.19 0.00 1.34 0.00 0.00 72.50 70.26 1wk0 s THR 118 CO 0.24 0.52 1.11 -1.48 -0.54 0.00 0.00 174.62 174.47 1wk0 s LEU 119 N -1.30 1.58 0.22 4.79 2.34 -1.23 -0.98 118.68 124.10 1wk0 s LEU 119 Ca 0.23 1.02 0.02 0.00 0.06 0.00 0.00 54.13 55.47 1wk0 s LEU 119 Cb -0.14 -3.18 -0.03 0.00 -0.56 0.00 0.00 46.19 42.28 1wk0 s LEU 119 CO 0.11 -3.12 0.37 -0.94 -1.06 0.00 0.00 176.35 171.71 1wk0 s SER 120 N -3.69 6.34 0.60 1.48 1.04 -1.26 -1.58 113.70 116.62 1wk0 s SER 120 Ca 0.66 0.22 0.28 0.00 0.48 0.00 0.00 55.95 57.58 1wk0 s SER 120 Cb -0.16 -1.93 0.95 0.00 0.10 0.00 0.00 66.02 64.98 1wk0 s SER 120 CO 0.56 -0.06 1.30 0.00 0.98 0.00 0.00 173.24 176.02 1wk0 s GLU 122 N -4.44 2.18 -0.80 0.00 2.02 -1.26 -5.05 118.70 111.34 1wk0 s GLU 122 Ca -0.03 -1.47 -0.25 0.00 0.02 0.00 0.00 54.97 53.24 1wk0 s GLU 122 Cb 0.15 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1wk0 s GLU 122 CO 0.49 0.36 1.92 -1.25 0.02 0.00 0.00 175.26 176.80 1wk0 s PRO 123 N -3.60 2.58 -0.04 0.39 0.04 -1.26 -4.67 135.00 128.43 1wk0 s PRO 123 Ca 0.31 0.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.32 1wk0 s PRO 123 Cb -0.06 -4.83 -0.03 0.00 0.04 0.00 0.00 34.50 29.62 1wk0 s PRO 123 CO 0.19 -3.16 -0.12 -0.40 0.04 0.00 0.00 177.00 173.55 1wk0 n ASP 124 N 13.56 1.05 -4.82 6.66 5.75 -1.26 -5.04 116.55 132.44 1wk0 n ASP 124 Ca 0.33 0.16 -0.33 0.00 -0.01 0.00 0.00 54.79 54.95 1wk0 n ASP 124 Cb 0.49 -0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 1wk0 n ASP 124 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1wk0 s ILE 125 N -2.25 4.34 -0.28 2.12 -5.25 -1.26 -4.98 121.20 113.64 1wk0 s ILE 125 Ca -0.12 1.30 -0.29 0.00 -0.99 0.00 0.00 60.65 60.56 1wk0 s ILE 125 Cb 0.03 -3.62 -0.02 0.00 2.95 0.00 0.00 42.46 41.81 1wk0 s ILE 125 CO 0.16 -0.46 1.65 -2.16 -1.79 0.00 0.00 174.94 172.33 1wk0 s PRO 126 N -3.58 3.60 0.26 0.37 0.04 -1.26 -5.00 135.00 129.43 1wk0 s PRO 126 Ca 0.61 1.48 0.09 0.00 0.04 0.00 0.00 61.00 63.22 1wk0 s PRO 126 Cb -0.11 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 1wk0 s PRO 126 CO 0.22 -1.53 0.06 -0.80 0.04 0.00 0.00 177.00 174.99 1wk0 s ASN 127 N 4.84 4.85 0.67 6.66 0.02 -1.26 -5.12 114.94 125.61 1wk0 s ASN 127 Ca 0.73 -0.52 -0.14 0.00 -1.02 0.00 0.00 52.86 51.91 1wk0 s ASN 127 Cb -0.22 -1.02 0.01 0.00 0.02 0.00 0.00 41.25 40.03 1wk0 s ASN 127 CO 0.31 -0.01 1.11 -2.16 0.02 0.00 0.00 177.10 176.37 1wk0 s PRO 128 N -3.72 2.73 0.13 -0.60 0.04 -1.26 -4.98 135.00 127.33 1wk0 s PRO 128 Ca 0.32 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 1wk0 s PRO 128 Cb -0.07 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1wk0 s PRO 128 CO 0.21 -1.31 1.35 -1.25 0.04 0.00 0.00 177.00 176.05 1wk0 s PRO 129 N -4.19 4.35 -0.16 0.56 0.04 -1.26 -5.02 135.00 129.32 1wk0 s PRO 129 Ca 0.66 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.69 1wk0 s PRO 129 Cb -0.20 -3.25 0.08 0.00 0.04 0.00 0.00 34.50 31.17 1wk0 s PRO 129 CO 0.43 -0.37 0.28 0.50 0.04 0.00 0.00 177.00 177.89 1wk0 s ARG 130 N 0.80 0.19 0.04 4.56 3.00 -1.26 -5.15 118.95 121.12 1wk0 s ARG 130 Ca 0.62 0.69 -0.03 0.00 -1.00 0.00 0.00 55.73 56.01 1wk0 s ARG 130 Cb -0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 34.95 34.36 1wk0 s ARG 130 CO 0.32 -0.36 0.24 -1.50 0.00 0.00 0.00 175.30 174.00 1wk0 s ILE 131 N 2.44 5.35 0.04 4.11 1.10 -1.26 -5.11 121.20 127.87 1wk0 s ILE 131 Ca 0.03 -0.11 0.04 0.00 -0.51 0.00 0.00 60.65 60.09 1wk0 s ILE 131 Cb -0.13 -3.59 -0.02 0.00 0.15 0.00 0.00 42.46 38.88 1wk0 s ILE 131 CO -0.10 0.24 -0.12 -0.55 -2.11 0.00 0.00 174.94 172.30 1wk0 s SER 132 N -2.12 1.42 0.00 4.50 0.15 -1.26 -5.13 113.70 111.26 1wk0 s SER 132 Ca 0.32 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1wk0 s SER 132 Cb -0.13 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1wk0 s SER 132 CO 0.22 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1wk0 n GLY 133 N 1.88 1.44 3.14 9.45 0.00 -1.26 -5.04 105.19 114.80 1wk0 n GLY 133 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1wk0 n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wk0 n PRO 134 N 0.00 -2.93 -3.35 1.61 -0.04 -1.26 -5.09 135.00 123.93 1wk0 n PRO 134 Ca 0.00 -1.57 0.02 0.00 -0.04 0.00 0.00 63.50 61.91 1wk0 n PRO 134 Cb 0.00 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 1wk0 n PRO 134 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wk0 s SER 135 N -4.15 -0.87 0.01 3.54 0.15 -1.26 -5.17 113.70 105.97 1wk0 s SER 135 Ca 0.64 0.90 0.07 0.00 0.70 0.00 0.00 55.95 58.25 1wk0 s SER 135 Cb -0.06 1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 66.09 1wk0 s SER 135 CO 0.49 -0.16 -0.21 -0.55 1.20 0.00 0.00 173.24 174.01 1wk0 s SER 136 N 2.74 2.43 0.00 5.45 0.15 -1.26 -5.33 113.70 117.88 1wk0 s SER 136 Ca 0.02 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wk0 s SER 136 Cb -0.10 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1wk0 s SER 136 CO -0.17 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.08