#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 n SER 2 N 0.00 -0.56 -4.43 1.61 7.64 -1.26 -4.92 113.62 111.70 1wk0 n SER 2 Ca 0.00 -1.23 -0.21 0.00 1.01 0.00 0.00 58.87 58.44 1wk0 n SER 2 Cb 0.00 -1.80 -0.10 0.00 -1.01 0.00 0.00 64.21 61.30 1wk0 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wk0 s SER 3 N -3.86 2.72 0.47 6.43 1.04 -1.26 -5.17 113.70 114.08 1wk0 s SER 3 Ca 0.38 -1.22 0.04 0.00 0.48 0.00 0.00 55.95 55.64 1wk0 s SER 3 Cb -0.22 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 65.78 1wk0 s SER 3 CO 1.00 -0.38 0.35 0.61 0.98 0.00 0.00 173.24 175.80 1wk0 n GLY 4 N -0.60 2.79 2.80 7.32 0.00 -1.26 -5.14 105.19 111.10 1wk0 n GLY 4 Ca -0.05 -2.28 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 1wk0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk0 s SER 5 N -3.74 0.73 -0.30 1.61 0.01 -1.26 -5.12 113.70 105.63 1wk0 s SER 5 Ca 0.27 0.26 -0.15 0.00 1.31 0.00 0.00 55.95 57.64 1wk0 s SER 5 Cb -0.02 0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.52 1wk0 s SER 5 CO 0.17 -0.23 0.93 -0.94 0.41 0.00 0.00 173.24 173.57 1wk0 s SER 6 N 2.11 -0.66 -0.65 2.44 1.04 -1.26 -5.08 113.70 111.65 1wk0 s SER 6 Ca 0.02 0.93 0.04 0.00 0.48 0.00 0.00 55.95 57.43 1wk0 s SER 6 Cb -0.12 1.65 0.32 0.00 0.10 0.00 0.00 66.02 67.97 1wk0 s SER 6 CO -0.05 -0.13 0.99 0.61 0.98 0.00 0.00 173.24 175.64 1wk0 n GLY 7 N 4.76 5.46 0.13 7.32 0.00 -1.26 -4.81 105.19 116.79 1wk0 n GLY 7 Ca -0.12 -2.77 -0.22 0.00 0.00 0.00 0.00 46.02 42.92 1wk0 n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wk0 h ASP 8 N 3.45 0.54 -1.18 1.61 3.32 -2.01 -3.34 116.42 118.82 1wk0 h ASP 8 Ca 0.18 -0.91 0.41 0.00 0.02 0.00 0.00 57.03 56.74 1wk0 h ASP 8 Cb 0.53 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 39.75 1wk0 h ASP 8 CO 0.87 1.61 0.71 -0.33 -1.72 0.00 0.00 179.24 180.38 1wk0 h GLU 9 N -0.16 0.09 -0.07 3.56 3.07 -2.01 0.57 114.58 119.63 1wk0 h GLU 9 Ca -0.26 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 1wk0 h GLU 9 Cb 1.87 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.76 1wk0 h GLU 9 CO 0.15 0.06 -0.01 0.93 -1.40 0.00 0.00 179.01 178.74 1wk0 h GLU 10 N 0.09 0.13 -0.57 2.33 5.08 -1.97 -2.95 114.58 116.72 1wk0 h GLU 10 Ca 0.82 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 59.19 1wk0 h GLU 10 Cb 2.35 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.54 1wk0 h GLU 10 CO -0.56 0.43 0.29 1.15 -1.00 0.00 0.00 179.01 179.32 1wk0 h THR 11 N -0.18 0.93 0.06 1.13 2.02 -0.04 -2.61 112.91 114.22 1wk0 h THR 11 Ca 0.02 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1wk0 h THR 11 Cb 0.37 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1wk0 h THR 11 CO 0.01 0.10 -0.40 0.11 0.37 0.00 0.00 175.52 175.70 1wk0 h LYS 12 N 0.55 -0.57 -0.97 6.66 1.57 -1.21 0.13 116.57 122.72 1wk0 h LYS 12 Ca 0.26 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.31 1wk0 h LYS 12 Cb 0.19 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 1wk0 h LYS 12 CO -0.19 -0.38 0.64 0.00 -0.57 0.00 0.00 179.45 178.95 1wk0 h ALA 13 N -0.05 2.22 -0.07 3.86 0.00 -1.32 0.22 119.26 124.12 1wk0 h ALA 13 Ca 0.04 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1wk0 h ALA 13 Cb 0.65 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wk0 h ALA 13 CO -0.27 -0.56 -0.76 0.74 0.00 0.00 0.00 179.25 178.40 1wk0 h PHE 14 N 0.41 0.59 -0.14 0.00 0.04 -0.78 0.27 116.94 117.32 1wk0 h PHE 14 Ca 0.53 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.99 1wk0 h PHE 14 Cb 1.32 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.38 1wk0 h PHE 14 CO -0.00 1.04 -0.09 0.93 -0.60 0.00 0.00 178.31 179.58 1wk0 h GLU 15 N 0.29 0.21 0.05 1.51 5.08 0.20 0.74 114.58 122.66 1wk0 h GLU 15 Ca -0.04 -0.04 -0.35 0.00 -1.00 0.00 0.00 59.36 57.93 1wk0 h GLU 15 Cb 1.35 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 1wk0 h GLU 15 CO 0.13 0.32 -1.96 0.00 -1.00 0.00 0.00 179.01 176.50 1wk0 n ALA 16 N -2.49 1.00 0.24 3.43 0.00 -0.80 -3.90 120.51 117.98 1wk0 n ALA 16 Ca -0.01 -0.72 -0.15 0.00 0.00 0.00 0.00 53.44 52.56 1wk0 n ALA 16 Cb 0.23 -0.44 -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 -0.37 -0.50 -2.34 0.00 5.85 -0.44 -2.17 115.31 115.34 1wk0 h LEU 17 Ca -0.47 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.23 1wk0 h LEU 17 Cb 1.76 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.91 1wk0 h LEU 17 CO -0.09 -0.28 0.21 -0.07 -0.34 0.00 0.00 178.44 177.87 1wk0 h LEU 18 N -0.69 0.00 -3.60 2.25 3.38 -1.04 0.30 115.31 115.91 1wk0 h LEU 18 Ca -0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 1wk0 h LEU 18 Cb 0.50 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 1wk0 h LEU 18 CO 0.10 0.00 0.20 -1.54 0.09 0.00 0.00 178.44 177.29 1wk0 n SER 19 N -3.16 3.80 -1.02 -0.43 3.41 -0.85 -3.98 113.62 111.39 1wk0 n SER 19 Ca -0.01 -3.42 -0.03 0.00 -0.26 0.00 0.00 58.87 55.15 1wk0 n SER 19 Cb 0.29 -0.70 0.15 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.69 2.66 -4.82 4.04 2.85 0.10 -4.79 115.26 114.62 1wk0 n ASN 20 Ca 0.39 -3.86 -0.22 0.00 -0.11 0.00 0.00 54.58 50.79 1wk0 n ASN 20 Cb 1.26 -0.47 0.10 0.00 1.24 0.00 0.00 39.78 41.91 1wk0 n ASN 20 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1wk0 s ILE 21 N -3.64 2.01 -0.12 -1.44 -0.00 -1.26 -2.55 121.20 114.20 1wk0 s ILE 21 Ca 0.42 -0.80 0.01 0.00 -0.00 0.00 0.00 60.65 60.29 1wk0 s ILE 21 Cb 0.38 -2.22 -0.01 0.00 -0.00 0.00 0.00 42.46 40.62 1wk0 s ILE 21 CO -0.04 0.00 -0.17 0.54 -0.00 0.00 0.00 174.94 175.27 1wk0 s VAL 22 N -2.97 2.64 0.35 8.37 0.11 -1.25 -4.88 120.40 122.77 1wk0 s VAL 22 Ca 0.66 -0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 58.67 1wk0 s VAL 22 Cb -0.04 -2.08 -0.16 0.00 -1.53 0.00 0.00 36.38 32.57 1wk0 s VAL 22 CO 0.43 0.54 0.19 2.29 -3.33 0.00 0.00 175.10 175.22 1wk0 n LYS 23 N 3.59 0.00 -1.16 1.54 2.85 -1.26 -4.27 118.16 119.45 1wk0 n LYS 23 Ca -0.19 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.79 1wk0 n LYS 23 Cb 0.53 -1.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.09 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 -1.00 0.31 -0.00 -1.58 0.04 -1.26 -4.78 135.00 126.73 1wk0 s PRO 24 Ca 0.60 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1wk0 s PRO 24 Cb -0.71 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1wk0 s PRO 24 CO 0.61 -2.81 -0.01 0.08 0.04 0.00 0.00 177.00 174.91 1wk0 s VAL 25 N -2.96 0.12 -0.08 -0.36 1.01 -0.11 -4.68 120.40 113.33 1wk0 s VAL 25 Ca 0.66 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1wk0 s VAL 25 Cb -0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1wk0 s VAL 25 CO 0.58 0.05 0.27 0.00 0.00 0.00 0.00 175.10 176.00 1wk0 s ALA 26 N 0.11 3.76 0.00 5.51 0.00 -1.26 -1.02 121.76 128.86 1wk0 s ALA 26 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1wk0 s ALA 26 Cb -0.02 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1wk0 s ALA 26 CO -0.00 0.48 0.00 0.43 0.00 0.00 0.00 175.76 176.66 1wk0 n SER 27 N 2.18 0.00 -3.05 0.00 7.64 -1.02 -4.88 113.62 114.49 1wk0 n SER 27 Ca -0.16 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.43 1wk0 n SER 27 Cb 0.53 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1wk0 n SER 27 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wk0 n ASP 28 N -1.47 6.85 -4.65 6.43 8.00 -1.26 -4.89 116.55 125.56 1wk0 n ASP 28 Ca 0.00 -2.45 -0.43 0.00 0.71 0.00 0.00 54.79 52.62 1wk0 n ASP 28 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 39.72 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wk0 s ILE 29 N 2.39 3.85 0.25 0.53 1.01 -1.26 -3.11 121.20 124.85 1wk0 s ILE 29 Ca 0.58 0.99 0.01 0.00 0.00 0.00 0.00 60.65 62.24 1wk0 s ILE 29 Cb 0.17 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1wk0 s ILE 29 CO -0.04 -0.21 0.09 0.00 0.00 0.00 0.00 174.94 174.78 1wk0 n GLN 30 N 7.23 1.26 0.00 2.79 6.02 0.24 -4.69 117.38 130.23 1wk0 n GLN 30 Ca 0.17 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 1wk0 n GLN 30 Cb 0.45 0.33 0.00 0.00 1.02 0.00 0.00 30.24 32.04 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 -2.33 0.00 -0.02 -1.58 0.00 -1.26 -3.86 120.51 111.46 1wk0 n ALA 31 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1wk0 n ALA 31 Cb 0.31 0.40 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.56 2.64 -3.41 0.00 1.74 -1.26 -3.64 116.66 110.17 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 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.15 5.05 0.28 0.55 -4.23 -1.26 -3.78 115.64 110.10 1wk0 s THR 33 Ca -0.02 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 1wk0 s THR 33 Cb 0.02 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1wk0 s THR 33 CO 0.18 -0.27 0.64 0.68 -0.54 0.00 0.00 174.62 175.32 1wk0 s VAL 34 N -2.01 0.00 -0.39 2.29 -7.23 -1.14 0.79 120.40 112.71 1wk0 s VAL 34 Ca 0.43 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1wk0 s VAL 34 Cb -0.11 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.77 1wk0 s VAL 34 CO 0.29 0.00 0.14 -0.69 -0.31 0.00 0.00 175.10 174.53 1wk0 s VAL 35 N -3.78 2.83 -0.09 1.32 1.01 -1.18 -1.27 120.40 119.23 1wk0 s VAL 35 Ca 0.16 -2.25 -0.18 0.00 0.00 0.00 0.00 61.98 59.72 1wk0 s VAL 35 Cb -0.04 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1wk0 s VAL 35 CO 0.09 -0.66 0.47 -0.22 0.00 0.00 0.00 175.10 174.78 1wk0 s LEU 36 N 0.96 4.31 -0.06 3.92 2.96 -0.12 -2.43 118.68 128.22 1wk0 s LEU 36 Ca 0.10 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1wk0 s LEU 36 Cb -0.21 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 43.80 1wk0 s LEU 36 CO -0.06 0.06 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.03 1wk0 s THR 37 N 0.31 1.02 0.03 3.68 2.01 -0.19 -1.64 115.64 120.87 1wk0 s THR 37 Ca 0.26 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1wk0 s THR 37 Cb -0.16 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1wk0 s THR 37 CO 0.11 0.33 -0.04 -1.66 -0.69 0.00 0.00 174.62 172.67 1wk0 s TRP 38 N 0.68 0.41 0.19 4.92 -2.14 -1.10 -0.94 118.94 120.96 1wk0 s TRP 38 Ca -0.14 -0.67 -0.02 0.00 2.66 0.00 0.00 56.10 57.93 1wk0 s TRP 38 Cb -0.15 -0.28 -0.05 0.00 -3.10 0.00 0.00 33.47 29.89 1wk0 s TRP 38 CO 0.03 -0.22 0.40 -1.12 -2.66 0.00 0.00 176.95 173.38 1wk0 s SER 39 N -1.89 6.42 0.85 -2.66 0.01 -1.26 -4.65 113.70 110.51 1wk0 s SER 39 Ca -0.09 0.48 -0.11 0.00 1.31 0.00 0.00 55.95 57.54 1wk0 s SER 39 Cb -0.05 -2.04 0.10 0.00 0.21 0.00 0.00 66.02 64.24 1wk0 s SER 39 CO -0.03 -0.03 1.09 -2.16 0.41 0.00 0.00 173.24 172.52 1wk0 s PRO 40 N -3.17 1.66 0.78 12.44 0.04 -1.26 -3.86 135.00 141.63 1wk0 s PRO 40 Ca 0.40 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1wk0 s PRO 40 Cb -0.11 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1wk0 s PRO 40 CO 0.28 -2.00 1.09 -1.25 0.04 0.00 0.00 177.00 175.16 1wk0 s PRO 41 N -4.92 2.23 -0.30 0.56 0.04 -1.26 -4.64 135.00 126.71 1wk0 s PRO 41 Ca 0.62 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 1wk0 s PRO 41 Cb -0.18 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1wk0 s PRO 41 CO 0.57 -1.66 0.07 -1.12 0.04 0.00 0.00 177.00 174.89 1wk0 s SER 42 N -3.39 5.08 0.06 6.66 0.01 -1.06 -4.95 113.70 116.12 1wk0 s SER 42 Ca 0.61 -0.88 -0.31 0.00 1.31 0.00 0.00 55.95 56.69 1wk0 s SER 42 Cb -0.17 -1.85 -0.07 0.00 0.21 0.00 0.00 66.02 64.14 1wk0 s SER 42 CO 0.56 -0.23 1.53 -0.55 0.41 0.00 0.00 173.24 174.96 1wk0 s SER 43 N 1.44 6.71 -0.17 2.44 0.15 -1.26 -4.89 113.70 118.12 1wk0 s SER 43 Ca 0.01 2.36 0.11 0.00 0.70 0.00 0.00 55.95 59.12 1wk0 s SER 43 Cb -0.18 -2.57 0.61 0.00 -1.71 0.00 0.00 66.02 62.17 1wk0 s SER 43 CO 0.02 -0.80 1.43 0.18 1.20 0.00 0.00 173.24 175.27 1wk0 n LEU 44 N 5.17 4.51 0.00 3.45 4.77 -1.26 -4.34 117.00 129.30 1wk0 n LEU 44 Ca 0.14 -2.29 0.04 0.00 -0.03 0.00 0.00 56.01 53.88 1wk0 n LEU 44 Cb 0.42 -0.63 0.23 0.00 -2.33 0.00 0.00 43.42 41.10 1wk0 n LEU 44 CO 0.61 0.54 0.56 -0.38 -1.33 0.00 0.00 177.39 177.39 1wk0 n ILE 45 N 0.48 0.67 -1.71 -0.08 5.41 -1.26 -4.80 119.36 118.07 1wk0 n ILE 45 Ca 0.21 0.17 -0.07 0.00 1.00 0.00 0.00 62.75 64.06 1wk0 n ILE 45 Cb 0.95 -1.02 -0.01 0.00 -0.71 0.00 0.00 39.64 38.84 1wk0 n ILE 45 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1wk0 n ASN 46 N -1.24 -3.14 0.00 4.38 5.15 -1.26 -2.75 115.26 116.40 1wk0 n ASN 46 Ca 0.05 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1wk0 n ASN 46 Cb 0.06 -1.92 0.00 0.00 -0.53 0.00 0.00 39.78 37.39 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 -1.52 1.17 0.34 8.20 0.00 -1.26 -4.81 105.19 107.30 1wk0 n GLY 47 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.13 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 1.54 0.00 -7.07 1.61 4.81 -1.92 -3.42 114.58 110.13 1wk0 h GLU 48 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 1wk0 h GLU 48 Cb 0.00 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.41 1wk0 h GLU 48 CO 0.00 0.00 0.24 -0.08 -0.73 0.00 0.00 179.01 178.44 1wk0 s THR 49 N -4.31 4.77 0.19 0.32 -1.32 -1.26 -5.03 115.64 109.00 1wk0 s THR 49 Ca -0.04 0.64 -0.30 0.00 -1.21 0.00 0.00 61.69 60.77 1wk0 s THR 49 Cb 0.12 -3.81 -0.08 0.00 -1.51 0.00 0.00 72.50 67.22 1wk0 s THR 49 CO 0.42 -0.83 1.16 -1.81 -2.21 0.00 0.00 174.62 171.34 1wk0 s ASP 50 N -3.76 7.15 0.35 8.08 1.01 -1.26 -4.92 116.67 123.33 1wk0 s ASP 50 Ca 0.52 2.20 0.11 0.00 0.71 0.00 0.00 52.55 56.09 1wk0 s ASP 50 Cb -0.10 -2.61 0.90 0.00 1.01 0.00 0.00 42.92 42.12 1wk0 s ASP 50 CO 0.42 -0.31 1.80 -0.33 0.21 0.00 0.00 175.17 176.96 1wk0 h GLU 51 N 5.08 0.58 -1.03 8.23 4.39 -1.96 0.36 114.58 130.24 1wk0 h GLU 51 Ca -0.45 -0.04 -0.36 0.00 0.34 0.00 0.00 59.36 58.86 1wk0 h GLU 51 Cb 1.21 -0.13 -0.21 0.00 -0.10 0.00 0.00 28.75 29.53 1wk0 h GLU 51 CO 0.73 0.39 0.45 0.43 -1.16 0.00 0.00 179.01 179.85 1wk0 n SER 52 N -4.66 3.81 -0.00 1.42 7.64 -1.26 -4.41 113.62 116.16 1wk0 n SER 52 Ca 0.22 -3.10 -0.00 0.00 1.01 0.00 0.00 58.87 57.00 1wk0 n SER 52 Cb 0.66 -0.75 -0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.56 0.05 -4.68 6.43 2.88 0.13 -4.98 113.62 112.90 1wk0 n SER 53 Ca 0.40 0.01 -0.55 0.00 -1.33 0.00 0.00 58.87 57.40 1wk0 n SER 53 Cb 1.23 -0.36 -0.07 0.00 -0.75 0.00 0.00 64.21 64.26 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 -2.55 0.26 -1.74 2.46 0.24 -1.25 -4.92 118.33 110.83 1wk0 n VAL 54 Ca -0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.34 61.92 1wk0 n VAL 54 Cb 0.01 -1.21 0.05 0.00 -1.47 0.00 0.00 33.84 31.22 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 2.84 2.79 -0.06 7.34 0.04 -1.26 -4.98 135.00 141.71 1wk0 s PRO 55 Ca 0.94 1.38 0.10 0.00 0.04 0.00 0.00 61.00 63.46 1wk0 s PRO 55 Cb -0.99 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 31.81 1wk0 s PRO 55 CO 0.59 -1.26 1.15 -0.85 0.04 0.00 0.00 177.00 176.67 1wk0 n GLU 56 N -2.45 2.46 -0.97 4.56 0.00 -1.26 -4.59 120.64 118.39 1wk0 n GLU 56 Ca 0.10 -2.10 0.00 0.00 0.00 0.00 0.00 57.16 55.17 1wk0 n GLU 56 Cb 0.52 -1.31 0.36 0.00 0.00 0.00 0.00 31.44 31.01 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 -0.60 5.97 -4.52 -1.84 7.99 -1.26 -4.86 117.00 117.87 1wk0 n LEU 57 Ca 0.10 -3.07 -0.37 0.00 -0.01 0.00 0.00 56.01 52.66 1wk0 n LEU 57 Cb 0.48 -0.72 -0.11 0.00 -0.11 0.00 0.00 43.42 42.97 1wk0 n LEU 57 CO 0.04 0.72 2.10 -1.22 -1.51 0.00 0.00 177.39 177.52 1wk0 n TYR 58 N 0.23 0.89 -1.47 -1.77 4.01 -1.26 -4.74 117.16 113.05 1wk0 n TYR 58 Ca 0.35 0.24 -0.45 0.00 -0.16 0.00 0.00 57.90 57.88 1wk0 n TYR 58 Cb 1.31 -2.38 -0.09 0.00 -0.31 0.00 0.00 39.34 37.87 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 6.27 0.06 3.57 2.72 0.00 0.12 -4.51 105.19 113.42 1wk0 n GLY 59 Ca 0.54 0.95 -0.41 0.00 0.00 0.00 0.00 46.02 47.10 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 8.96 3.21 -0.15 1.61 2.02 0.24 0.75 117.35 133.98 1wk0 s TYR 60 Ca 1.16 0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 58.05 1wk0 s TYR 60 Cb -0.86 -2.79 -0.02 0.00 -0.40 0.00 0.00 41.96 37.89 1wk0 s TYR 60 CO 0.45 -0.44 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.92 1wk0 s GLU 61 N 2.24 3.53 0.05 -0.62 2.12 0.79 -2.11 118.70 124.71 1wk0 s GLU 61 Ca 0.17 -0.59 -0.21 0.00 0.36 0.00 0.00 54.97 54.69 1wk0 s GLU 61 Cb -0.16 -2.81 -0.06 0.00 0.26 0.00 0.00 34.13 31.36 1wk0 s GLU 61 CO 0.12 0.20 0.62 0.08 -0.54 0.00 0.00 175.26 175.74 1wk0 s VAL 62 N 0.45 4.76 -0.21 3.70 1.01 -0.89 -1.08 120.40 128.14 1wk0 s VAL 62 Ca -0.06 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1wk0 s VAL 62 Cb -0.15 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1wk0 s VAL 62 CO 0.04 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 174.83 1wk0 s LEU 63 N -0.65 2.00 0.21 3.92 1.43 -0.51 -3.09 118.68 121.99 1wk0 s LEU 63 Ca 0.31 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1wk0 s LEU 63 Cb -0.20 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1wk0 s LEU 63 CO 0.20 -0.25 -0.03 0.27 0.23 0.00 0.00 176.35 176.76 1wk0 s ILE 64 N 1.57 3.47 -0.49 -0.59 -4.36 -1.18 -1.88 121.20 117.74 1wk0 s ILE 64 Ca -0.03 -1.65 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 1wk0 s ILE 64 Cb -0.18 -2.77 0.20 0.00 1.25 0.00 0.00 42.46 40.96 1wk0 s ILE 64 CO -0.07 -0.19 0.47 -1.54 0.24 0.00 0.00 174.94 173.85 1wk0 n SER 65 N -0.32 0.93 -0.32 4.36 3.41 -1.18 -2.58 113.62 117.91 1wk0 n SER 65 Ca -0.09 -2.76 0.18 0.00 -0.26 0.00 0.00 58.87 55.93 1wk0 n SER 65 Cb 0.56 -0.63 0.42 0.00 -0.26 0.00 0.00 64.21 64.31 1wk0 n SER 65 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wk0 h SER 66 N 4.94 0.59 -0.09 4.04 4.64 -1.88 -0.60 113.55 125.19 1wk0 h SER 66 Ca 0.18 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1wk0 h SER 66 Cb 0.84 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1wk0 h SER 66 CO 0.52 0.17 0.03 0.74 -0.87 0.00 0.00 176.83 177.42 1wk0 h THR 67 N 0.56 0.97 0.00 2.95 2.02 -1.93 -3.47 112.91 114.02 1wk0 h THR 67 Ca 0.57 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.73 1wk0 h THR 67 Cb 1.19 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1wk0 h THR 67 CO -0.33 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.18 1wk0 n GLY 68 N -1.13 2.14 0.54 2.16 0.00 -0.23 -4.99 105.19 103.68 1wk0 n GLY 68 Ca -0.05 0.17 0.43 0.00 0.00 0.00 0.00 46.02 46.57 1wk0 n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wk0 n LYS 69 N -0.05 -0.02 -1.04 1.61 4.81 -1.25 0.20 118.16 122.42 1wk0 n LYS 69 Ca 0.00 1.15 -0.23 0.00 -0.87 0.00 0.00 58.31 58.36 1wk0 n LYS 69 Cb 0.00 -2.39 0.05 0.00 0.02 0.00 0.00 35.03 32.71 1wk0 n LYS 69 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wk0 n ASP 70 N -4.36 6.81 0.00 3.14 9.92 -1.26 -4.88 116.55 125.92 1wk0 n ASP 70 Ca 0.40 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.35 1wk0 n ASP 70 Cb 1.67 -1.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wk0 n GLY 71 N -0.11 5.45 3.86 0.44 0.00 0.52 -5.15 105.19 110.21 1wk0 n GLY 71 Ca 0.41 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 1.81 3.93 0.15 1.61 2.47 -1.26 -5.00 119.74 123.44 1wk0 s LYS 72 Ca 0.00 0.47 0.09 0.00 -1.56 0.00 0.00 55.97 54.97 1wk0 s LYS 72 Cb 0.00 -2.65 -0.04 0.00 -1.46 0.00 0.00 37.83 33.68 1wk0 s LYS 72 CO 0.00 0.30 -0.14 0.71 0.16 0.00 0.00 175.35 176.38 1wk0 s TYR 73 N -1.78 2.59 0.27 4.03 1.51 -1.26 -4.51 117.35 118.18 1wk0 s TYR 73 Ca 0.47 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 56.33 1wk0 s TYR 73 Cb -0.12 -1.32 -0.06 0.00 -0.11 0.00 0.00 41.96 40.36 1wk0 s TYR 73 CO 0.20 0.45 0.01 -1.59 -1.11 0.00 0.00 175.55 173.51 1wk0 s LYS 74 N -2.47 1.46 -0.41 -0.62 -2.85 -1.07 -4.95 119.74 108.82 1wk0 s LYS 74 Ca 0.21 -1.76 -0.18 0.00 -1.00 0.00 0.00 55.97 53.25 1wk0 s LYS 74 Cb -0.10 -0.74 0.02 0.00 -2.06 0.00 0.00 37.83 34.95 1wk0 s LYS 74 CO 0.13 -0.12 0.46 -1.54 0.10 0.00 0.00 175.35 174.38 1wk0 s SER 75 N -3.38 6.22 -0.08 0.03 1.04 -1.26 -3.11 113.70 113.17 1wk0 s SER 75 Ca 0.31 -0.56 0.13 0.00 0.48 0.00 0.00 55.95 56.31 1wk0 s SER 75 Cb 0.06 -2.24 -0.24 0.00 0.10 0.00 0.00 66.02 63.71 1wk0 s SER 75 CO 0.11 -0.58 0.52 1.33 0.98 0.00 0.00 173.24 175.60 1wk0 n VAL 76 N 5.48 1.57 -3.69 5.02 0.24 -1.18 -4.99 118.33 120.79 1wk0 n VAL 76 Ca -0.06 -0.80 -0.12 0.00 -2.04 0.00 0.00 64.34 61.31 1wk0 n VAL 76 Cb 0.48 -0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.57 -0.21 -0.23 6.34 6.14 -1.26 -4.87 117.35 120.69 1wk0 s TYR 77 Ca -0.07 0.14 -0.06 0.00 0.64 0.00 0.00 57.07 57.72 1wk0 s TYR 77 Cb 0.08 0.18 0.11 0.00 0.42 0.00 0.00 41.96 42.75 1wk0 s TYR 77 CO 0.82 -0.55 0.44 0.08 0.64 0.00 0.00 175.55 176.98 1wk0 s VAL 78 N -2.53 -0.70 0.00 3.14 1.01 -1.26 -2.08 120.40 117.98 1wk0 s VAL 78 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1wk0 s VAL 78 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1wk0 s VAL 78 CO -0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1wk0 n GLY 79 N 5.39 3.58 0.00 4.51 0.00 -0.90 -4.98 105.19 112.79 1wk0 n GLY 79 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 2.52 -0.76 1.61 4.71 -1.26 0.82 120.64 128.27 1wk0 n GLU 80 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 1wk0 n GLU 80 Cb 0.00 -0.98 0.13 0.00 -1.01 0.00 0.00 31.44 29.58 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 -2.12 -0.63 -0.00 3.49 -0.58 -1.26 -4.64 120.64 114.89 1wk0 n GLU 81 Ca 0.00 -0.15 -0.18 0.00 -0.42 0.00 0.00 57.16 56.41 1wk0 n GLU 81 Cb 0.48 -1.81 -0.14 0.00 -0.57 0.00 0.00 31.44 29.40 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 -3.80 1.73 -4.13 2.62 -2.24 -1.26 -4.82 114.28 102.38 1wk0 n THR 82 Ca 0.05 -0.69 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 1wk0 n THR 82 Cb 0.56 -1.53 -0.12 0.00 -2.10 0.00 0.00 70.33 67.13 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 -6.77 4.83 0.11 3.42 3.84 -1.26 -2.71 114.94 116.40 1wk0 s ASN 83 Ca -0.18 -0.19 -0.05 0.00 0.21 0.00 0.00 52.86 52.66 1wk0 s ASN 83 Cb 0.07 -1.82 -0.02 0.00 -0.55 0.00 0.00 41.25 38.93 1wk0 s ASN 83 CO 0.78 0.08 0.13 0.27 -2.79 0.00 0.00 177.10 175.57 1wk0 s ILE 84 N 0.88 0.13 -0.19 -5.21 -5.25 -0.65 -5.03 121.20 105.89 1wk0 s ILE 84 Ca 0.01 -1.56 -0.06 0.00 -0.99 0.00 0.00 60.65 58.05 1wk0 s ILE 84 Cb -0.14 -1.68 -0.03 0.00 2.95 0.00 0.00 42.46 43.55 1wk0 s ILE 84 CO 0.02 -0.60 0.02 -0.89 -1.79 0.00 0.00 174.94 171.71 1wk0 s THR 85 N -3.95 4.31 0.56 8.37 2.01 -1.26 -0.95 115.64 124.73 1wk0 s THR 85 Ca 0.13 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 1wk0 s THR 85 Cb 0.06 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 1wk0 s THR 85 CO -0.05 0.44 1.00 -0.76 -0.69 0.00 0.00 174.62 174.56 1wk0 s LEU 86 N 0.69 3.44 0.29 4.42 1.43 -0.40 -4.88 118.68 123.67 1wk0 s LEU 86 Ca 0.01 1.47 -0.10 0.00 -1.03 0.00 0.00 54.13 54.48 1wk0 s LEU 86 Cb -0.14 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.62 1wk0 s LEU 86 CO 0.02 -0.72 0.51 0.20 0.23 0.00 0.00 176.35 176.59 1wk0 s ASN 87 N -3.62 0.21 -1.44 2.29 0.01 -1.26 -2.88 114.94 108.24 1wk0 s ASN 87 Ca 0.57 -1.11 -0.11 0.00 -0.71 0.00 0.00 52.86 51.49 1wk0 s ASN 87 Cb -0.10 0.64 0.05 0.00 0.41 0.00 0.00 41.25 42.24 1wk0 s ASN 87 CO 0.42 -1.25 1.08 0.47 -1.51 0.00 0.00 177.10 176.32 1wk0 n ASP 88 N -0.79 -5.51 -5.01 -1.22 8.00 -1.26 -4.99 116.55 105.77 1wk0 n ASP 88 Ca -0.02 -0.66 -0.20 0.00 0.71 0.00 0.00 54.79 54.62 1wk0 n ASP 88 Cb 0.62 -4.47 0.05 0.00 -0.02 0.00 0.00 41.12 37.30 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wk0 s LEU 89 N -7.28 3.12 -0.31 0.64 1.43 -1.25 -5.10 118.68 109.93 1wk0 s LEU 89 Ca 0.61 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1wk0 s LEU 89 Cb -0.29 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 1wk0 s LEU 89 CO 0.78 -1.24 0.15 -0.54 0.23 0.00 0.00 176.35 175.72 1wk0 s LYS 90 N -4.58 3.26 0.60 1.70 3.01 -1.26 -4.77 119.74 117.70 1wk0 s LYS 90 Ca 0.58 -0.77 -0.17 0.00 -1.01 0.00 0.00 55.97 54.60 1wk0 s LYS 90 Cb -0.06 -3.55 -0.03 0.00 -1.01 0.00 0.00 37.83 33.19 1wk0 s LYS 90 CO 0.36 -0.44 1.12 -1.25 0.51 0.00 0.00 175.35 175.65 1wk0 s PRO 91 N 1.59 3.10 -1.31 -1.68 0.04 -1.24 -3.70 135.00 131.80 1wk0 s PRO 91 Ca 0.04 1.50 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1wk0 s PRO 91 Cb -0.17 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1wk0 s PRO 91 CO 0.06 -1.03 1.08 0.00 0.04 0.00 0.00 177.00 177.14 1wk0 n ALA 92 N -1.83 -1.60 -2.24 8.56 0.00 0.39 -4.82 120.51 118.96 1wk0 n ALA 92 Ca 0.11 0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 1wk0 n ALA 92 Cb 0.51 -4.14 -0.10 0.00 0.00 0.00 0.00 19.45 15.73 1wk0 n ALA 92 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wk0 s MET 93 N -5.98 1.10 -0.22 0.00 -1.94 -1.24 -4.99 119.30 106.03 1wk0 s MET 93 Ca 0.35 -1.52 -0.01 0.00 -1.71 0.00 0.00 55.69 52.80 1wk0 s MET 93 Cb -0.16 0.27 0.06 0.00 2.01 0.00 0.00 34.83 37.02 1wk0 s MET 93 CO 0.74 -0.35 0.00 -0.51 -0.01 0.00 0.00 175.02 174.89 1wk0 s ASP 94 N -3.10 3.42 0.19 3.03 1.01 -1.26 -2.42 116.67 117.54 1wk0 s ASP 94 Ca 0.32 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.53 1wk0 s ASP 94 Cb 0.07 -0.88 -0.04 0.00 1.01 0.00 0.00 42.92 43.08 1wk0 s ASP 94 CO 0.07 -0.29 0.07 -0.72 0.21 0.00 0.00 175.17 174.51 1wk0 s TYR 95 N 1.63 1.21 0.18 4.23 1.13 -1.26 -4.98 117.35 119.49 1wk0 s TYR 95 Ca -0.02 -1.19 0.06 0.00 -1.41 0.00 0.00 57.07 54.51 1wk0 s TYR 95 Cb -0.18 -0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 39.97 1wk0 s TYR 95 CO -0.09 -0.40 0.12 -1.01 -2.51 0.00 0.00 175.55 171.66 1wk0 s HIS 96 N -3.88 3.09 0.01 -3.49 3.76 -1.26 -1.75 115.29 111.77 1wk0 s HIS 96 Ca 0.31 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 1wk0 s HIS 96 Cb 0.07 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.28 1wk0 s HIS 96 CO 0.08 0.52 -0.02 0.00 -0.85 0.00 0.00 174.74 174.47 1wk0 s ALA 97 N -1.79 0.10 0.29 -1.40 0.00 -1.10 -3.12 121.76 114.74 1wk0 s ALA 97 Ca 0.31 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1wk0 s ALA 97 Cb -0.10 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 1wk0 s ALA 97 CO 0.23 -0.05 0.03 0.15 0.00 0.00 0.00 175.76 176.11 1wk0 s LYS 98 N -0.59 1.53 -0.10 0.00 1.02 -0.79 -0.80 119.74 120.02 1wk0 s LYS 98 Ca -0.06 -1.82 -0.01 0.00 0.02 0.00 0.00 55.97 54.10 1wk0 s LYS 98 Cb -0.04 -0.81 0.03 0.00 -0.52 0.00 0.00 37.83 36.49 1wk0 s LYS 98 CO -0.00 -0.13 -0.04 0.54 -0.92 0.00 0.00 175.35 174.79 1wk0 s VAL 99 N -3.31 0.74 -0.11 3.17 0.11 -1.26 -1.42 120.40 118.31 1wk0 s VAL 99 Ca 0.33 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1wk0 s VAL 99 Cb 0.07 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1wk0 s VAL 99 CO 0.13 0.31 -0.05 -1.58 -3.33 0.00 0.00 175.10 170.58 1wk0 s GLN 100 N 1.82 3.24 -0.09 1.54 0.74 -0.24 -3.20 119.66 123.47 1wk0 s GLN 100 Ca 0.05 -0.53 -0.13 0.00 0.05 0.00 0.00 55.36 54.80 1wk0 s GLN 100 Cb -0.12 -2.76 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1wk0 s GLN 100 CO -0.07 0.44 0.31 0.00 -0.55 0.00 0.00 175.29 175.42 1wk0 s ALA 101 N -0.20 3.69 -0.04 1.58 0.00 -1.25 -0.15 121.76 125.39 1wk0 s ALA 101 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1wk0 s ALA 101 Cb -0.13 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1wk0 s ALA 101 CO 0.03 0.35 -0.06 -2.00 0.00 0.00 0.00 175.76 174.08 1wk0 s GLU 102 N -0.43 0.83 -0.09 0.00 2.12 0.23 -3.73 118.70 117.62 1wk0 s GLU 102 Ca 0.19 -0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.31 1wk0 s GLU 102 Cb -0.14 -0.81 0.05 0.00 0.26 0.00 0.00 34.13 33.48 1wk0 s GLU 102 CO 0.08 -0.01 0.21 -0.47 -0.54 0.00 0.00 175.26 174.53 1wk0 s TYR 103 N 0.61 -0.28 -1.33 5.30 6.14 -1.07 0.15 117.35 126.87 1wk0 s TYR 103 Ca -0.08 0.70 -0.08 0.00 0.64 0.00 0.00 57.07 58.25 1wk0 s TYR 103 Cb -0.12 -0.01 0.01 0.00 0.42 0.00 0.00 41.96 42.26 1wk0 s TYR 103 CO 0.00 -0.22 1.16 -1.71 0.64 0.00 0.00 175.55 175.42 1wk0 n ASN 104 N 4.36 -5.99 -1.99 4.32 2.85 -1.26 -1.43 115.26 116.12 1wk0 n ASN 104 Ca -0.23 -0.54 -0.19 0.00 -0.11 0.00 0.00 54.58 53.50 1wk0 n ASN 104 Cb 0.52 -5.00 -0.03 0.00 1.24 0.00 0.00 39.78 36.52 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 -2.98 -5.44 -4.08 1.20 7.64 -1.26 -4.96 113.62 103.74 1wk0 n SER 105 Ca -0.02 0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.64 1wk0 n SER 105 Cb 0.57 -4.52 -0.13 0.00 -1.01 0.00 0.00 64.21 59.12 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wk0 s ILE 106 N -2.89 2.76 -0.20 0.44 1.01 -0.51 -5.09 121.20 116.72 1wk0 s ILE 106 Ca 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 60.65 58.46 1wk0 s ILE 106 Cb 0.00 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 1wk0 s ILE 106 CO 0.00 -0.54 0.21 -0.54 0.00 0.00 0.00 174.94 174.07 1wk0 s LYS 107 N 1.05 4.18 0.00 2.79 1.02 -1.26 -2.60 119.74 124.93 1wk0 s LYS 107 Ca 0.07 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1wk0 s LYS 107 Cb -0.21 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1wk0 s LYS 107 CO -0.05 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 1wk0 n GLY 108 N 3.70 0.58 3.37 -3.33 0.00 -1.24 -4.98 105.19 103.28 1wk0 n GLY 108 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 3.14 3.01 0.15 2.61 2.01 -1.26 -4.99 115.64 120.31 1wk0 s THR 109 Ca 0.00 -0.68 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 1wk0 s THR 109 Cb 0.00 -2.25 -0.08 0.00 0.01 0.00 0.00 72.50 70.18 1wk0 s THR 109 CO 0.00 0.53 1.34 -2.16 -0.69 0.00 0.00 174.62 173.64 1wk0 s PRO 110 N 0.29 4.36 1.27 4.92 0.04 -1.26 -4.59 135.00 140.03 1wk0 s PRO 110 Ca -0.10 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 1wk0 s PRO 110 Cb -0.16 -3.23 0.29 0.00 0.04 0.00 0.00 34.50 31.45 1wk0 s PRO 110 CO 0.06 -0.34 0.67 -1.13 0.04 0.00 0.00 177.00 176.30 1wk0 n SER 111 N 3.34 -3.57 -3.37 6.66 3.41 -1.19 -4.95 113.62 113.95 1wk0 n SER 111 Ca 0.09 -0.64 -0.31 0.00 -0.26 0.00 0.00 58.87 57.75 1wk0 n SER 111 Cb 0.43 -0.93 0.29 0.00 -0.26 0.00 0.00 64.21 63.74 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 -4.38 -3.14 -0.09 4.33 2.02 -1.26 -4.63 118.70 111.55 1wk0 s GLU 112 Ca 0.55 0.12 -0.04 0.00 0.02 0.00 0.00 54.97 55.62 1wk0 s GLU 112 Cb -0.11 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.73 1wk0 s GLU 112 CO 0.48 -5.01 0.07 0.00 0.02 0.00 0.00 175.26 170.82 1wk0 s ALA 113 N -2.23 3.58 -0.41 5.21 0.00 -1.26 -4.38 121.76 122.28 1wk0 s ALA 113 Ca 0.68 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1wk0 s ALA 113 Cb -0.13 -1.70 0.11 0.00 0.00 0.00 0.00 23.12 21.40 1wk0 s ALA 113 CO 0.58 0.62 0.20 -2.00 0.00 0.00 0.00 175.76 175.15 1wk0 s GLU 114 N -1.08 1.96 -0.05 0.00 2.56 0.02 -4.80 118.70 117.31 1wk0 s GLU 114 Ca 0.16 -1.87 -0.30 0.00 0.00 0.00 0.00 54.97 52.96 1wk0 s GLU 114 Cb -0.12 -3.54 -0.05 0.00 2.00 0.00 0.00 34.13 32.43 1wk0 s GLU 114 CO 0.05 -1.06 1.45 -1.50 -0.56 0.00 0.00 175.26 173.64 1wk0 s ILE 115 N 1.05 3.78 -0.05 -3.70 2.07 -1.26 -2.71 121.20 120.38 1wk0 s ILE 115 Ca 0.09 1.06 -0.01 0.00 -1.41 0.00 0.00 60.65 60.38 1wk0 s ILE 115 Cb -0.22 -3.68 0.03 0.00 0.13 0.00 0.00 42.46 38.71 1wk0 s ILE 115 CO -0.05 -0.05 0.03 0.72 -1.91 0.00 0.00 174.94 173.68 1wk0 s PHE 116 N 3.15 0.31 0.08 3.50 -0.12 -0.72 -4.98 117.98 119.21 1wk0 s PHE 116 Ca 0.65 0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 57.35 1wk0 s PHE 116 Cb -0.30 -0.55 -0.06 0.00 -0.63 0.00 0.00 43.02 41.47 1wk0 s PHE 116 CO 0.25 -0.21 0.73 0.99 -0.05 0.00 0.00 175.22 176.92 1wk0 s THR 117 N 1.78 4.63 0.31 -4.49 2.01 -1.26 -3.99 115.64 114.63 1wk0 s THR 117 Ca 0.01 1.56 0.08 0.00 0.31 0.00 0.00 61.69 63.65 1wk0 s THR 117 Cb -0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1wk0 s THR 117 CO -0.03 0.45 0.19 0.42 -0.69 0.00 0.00 174.62 174.95 1wk0 s THR 118 N -0.56 3.56 0.82 -0.82 -4.23 -1.02 -4.95 115.64 108.45 1wk0 s THR 118 Ca 0.36 -1.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1wk0 s THR 118 Cb -0.21 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1wk0 s THR 118 CO 0.23 -0.24 1.18 -1.48 -0.54 0.00 0.00 174.62 173.77 1wk0 s LEU 119 N -3.88 2.64 0.31 4.79 2.34 -1.25 -2.88 118.68 120.75 1wk0 s LEU 119 Ca 0.37 0.54 0.03 0.00 0.06 0.00 0.00 54.13 55.13 1wk0 s LEU 119 Cb -0.05 -2.95 -0.03 0.00 -0.56 0.00 0.00 46.19 42.60 1wk0 s LEU 119 CO 0.24 -2.05 0.48 -0.44 -1.06 0.00 0.00 176.35 173.52 1wk0 s SER 120 N -4.65 6.23 0.34 1.48 0.01 -1.26 -0.46 113.70 115.39 1wk0 s SER 120 Ca 0.65 0.23 0.28 0.00 1.31 0.00 0.00 55.95 58.41 1wk0 s SER 120 Cb -0.09 -1.84 1.09 0.00 0.21 0.00 0.00 66.02 65.39 1wk0 s SER 120 CO 0.49 -0.26 1.06 0.00 0.41 0.00 0.00 173.24 174.94 1wk0 s GLU 122 N -4.49 2.32 -0.62 0.00 2.02 -1.26 -5.05 118.70 111.61 1wk0 s GLU 122 Ca -0.04 -1.45 -0.26 0.00 0.02 0.00 0.00 54.97 53.23 1wk0 s GLU 122 Cb 0.20 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1wk0 s GLU 122 CO 0.58 0.29 1.87 -1.25 0.02 0.00 0.00 175.26 176.77 1wk0 s PRO 123 N -3.72 2.62 0.00 0.39 0.04 -1.26 -4.68 135.00 128.39 1wk0 s PRO 123 Ca 0.33 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1wk0 s PRO 123 Cb -0.05 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.07 1wk0 s PRO 123 CO 0.21 -2.77 0.00 -3.47 0.04 0.00 0.00 177.00 171.01 1wk0 n ASP 124 N 12.84 4.26 -4.48 6.66 2.03 -1.26 -5.05 116.55 131.55 1wk0 n ASP 124 Ca 0.21 -0.05 -0.64 0.00 0.52 0.00 0.00 54.79 54.84 1wk0 n ASP 124 Cb 0.52 0.95 -0.09 0.00 -0.72 0.00 0.00 41.12 41.77 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 -1.37 0.00 0.98 5.18 5.41 -1.26 -4.75 119.36 123.55 1wk0 n ILE 125 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 1wk0 n ILE 125 Cb 0.00 -0.43 0.30 0.00 -0.71 0.00 0.00 39.64 38.80 1wk0 n ILE 125 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1wk0 n PRO 126 N 3.57 0.49 -1.00 0.38 -0.04 -1.26 -4.89 135.00 132.25 1wk0 n PRO 126 Ca 0.28 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 1wk0 n PRO 126 Cb -0.04 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 1wk0 n PRO 126 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wk0 n ASN 127 N -0.83 -0.78 -4.68 3.54 2.85 -1.26 -4.78 115.26 109.33 1wk0 n ASN 127 Ca 0.08 0.80 -0.42 0.00 -0.11 0.00 0.00 54.58 54.92 1wk0 n ASN 127 Cb 0.04 -0.67 -0.03 0.00 1.24 0.00 0.00 39.78 40.36 1wk0 n ASN 127 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1wk0 s PRO 128 N -0.62 4.24 0.60 1.20 0.04 -1.26 -5.02 135.00 134.18 1wk0 s PRO 128 Ca 0.47 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.43 1wk0 s PRO 128 Cb -0.68 -3.72 0.15 0.00 0.04 0.00 0.00 34.50 30.28 1wk0 s PRO 128 CO 0.40 -0.69 0.54 -0.35 0.04 0.00 0.00 177.00 176.93 1wk0 n PRO 129 N 6.09 -2.07 -3.80 0.56 -0.04 -1.26 -5.09 135.00 129.39 1wk0 n PRO 129 Ca 0.15 -0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 62.62 1wk0 n PRO 129 Cb 0.43 -0.80 -0.14 0.00 -0.04 0.00 0.00 33.50 32.94 1wk0 n PRO 129 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wk0 s ARG 130 N -4.22 0.04 0.13 0.54 3.52 -1.26 -5.05 118.95 112.64 1wk0 s ARG 130 Ca 0.35 0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.90 1wk0 s ARG 130 Cb -0.03 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.22 1wk0 s ARG 130 CO 0.27 -0.09 1.67 0.82 -0.81 0.00 0.00 175.30 177.16 1wk0 h ILE 131 N 5.68 0.63 -2.49 4.11 1.08 -2.07 -3.37 117.51 121.09 1wk0 h ILE 131 Ca -0.35 0.00 -0.53 0.00 -0.39 0.00 0.00 64.86 63.58 1wk0 h ILE 131 Cb 1.16 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 1wk0 h ILE 131 CO 0.47 0.00 1.20 -0.44 -0.69 0.00 0.00 178.15 178.69 1wk0 s SER 132 N -5.06 5.82 0.00 1.72 0.01 -1.26 -4.92 113.70 110.01 1wk0 s SER 132 Ca -0.14 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1wk0 s SER 132 Cb 0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1wk0 s SER 132 CO 0.67 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 173.00 1wk0 n GLY 133 N 5.43 5.53 0.26 3.44 0.00 -1.26 -5.03 105.19 113.56 1wk0 n GLY 133 Ca 0.15 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.79 1wk0 n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk0 h PRO 134 N 0.00 0.00 -6.19 1.61 0.13 -1.95 -3.45 132.00 122.15 1wk0 h PRO 134 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 1wk0 h PRO 134 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1wk0 h PRO 134 CO 0.00 0.09 0.24 -1.13 -0.23 0.00 0.00 178.00 176.96 1wk0 n SER 135 N -3.24 0.93 -3.68 1.44 3.41 -1.26 -4.97 113.62 106.26 1wk0 n SER 135 Ca 0.00 1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 59.65 1wk0 n SER 135 Cb 0.33 -1.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.07 1wk0 n SER 135 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wk0 s SER 136 N 0.14 -0.33 0.00 4.04 0.15 -1.26 -5.13 113.70 111.31 1wk0 s SER 136 Ca 0.82 0.91 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1wk0 s SER 136 Cb -1.02 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wk0 s SER 136 CO 0.52 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.35