#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 s SER 2 N 0.00 4.75 -0.19 1.61 0.15 -1.26 -5.07 113.70 113.69 1wk0 s SER 2 Ca 0.00 -2.22 0.00 0.00 0.70 0.00 0.00 55.95 54.44 1wk0 s SER 2 Cb 0.00 -1.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.72 1wk0 s SER 2 CO 0.00 -0.37 -0.09 -0.44 1.20 0.00 0.00 173.24 173.54 1wk0 s SER 3 N 0.83 3.19 -0.69 5.45 0.01 -1.26 -5.05 113.70 116.19 1wk0 s SER 3 Ca 0.11 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 56.62 1wk0 s SER 3 Cb -0.20 -1.12 0.25 0.00 0.21 0.00 0.00 66.02 65.17 1wk0 s SER 3 CO -0.07 -0.16 0.81 0.61 0.41 0.00 0.00 173.24 174.84 1wk0 n GLY 4 N 4.75 4.83 3.64 3.44 0.00 -1.26 -5.01 105.19 115.58 1wk0 n GLY 4 Ca -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 46.02 43.07 1wk0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wk0 s SER 5 N -2.37 -0.22 -0.32 1.61 0.15 -1.26 -4.95 113.70 106.34 1wk0 s SER 5 Ca 0.38 0.43 0.08 0.00 0.70 0.00 0.00 55.95 57.54 1wk0 s SER 5 Cb 0.13 0.49 0.46 0.00 -1.71 0.00 0.00 66.02 65.38 1wk0 s SER 5 CO -0.01 -0.07 1.17 -1.20 1.20 0.00 0.00 173.24 174.33 1wk0 n SER 6 N 1.97 4.68 0.00 5.45 7.64 -1.26 -5.02 113.62 127.09 1wk0 n SER 6 Ca -0.12 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.12 1wk0 n SER 6 Cb 0.56 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.66 4.14 0.24 0.23 0.00 -1.26 -4.94 105.19 102.94 1wk0 n GLY 7 Ca 0.41 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wk0 h ASP 8 N 0.00 0.71 -0.95 1.61 3.04 -2.01 -2.72 116.42 116.10 1wk0 h ASP 8 Ca 0.00 -0.10 0.40 0.00 -3.24 0.00 0.00 57.03 54.09 1wk0 h ASP 8 Cb 0.00 -0.18 -0.17 0.00 -1.04 0.00 0.00 39.33 37.94 1wk0 h ASP 8 CO 0.00 0.60 0.50 -0.62 -2.04 0.00 0.00 179.24 177.68 1wk0 n GLU 9 N -4.60 -0.06 -0.02 4.15 -0.58 -1.26 0.11 120.64 118.39 1wk0 n GLU 9 Ca 0.03 1.32 -0.11 0.00 -0.42 0.00 0.00 57.16 57.98 1wk0 n GLU 9 Cb 0.09 -2.36 -0.06 0.00 -0.57 0.00 0.00 31.44 28.54 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wk0 h GLU 10 N 0.00 0.17 -0.56 3.49 4.39 -1.84 -3.01 114.58 117.22 1wk0 h GLU 10 Ca 0.80 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.58 1wk0 h GLU 10 Cb 2.11 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 30.64 1wk0 h GLU 10 CO -0.74 0.28 -0.02 1.15 -1.16 0.00 0.00 179.01 178.52 1wk0 h THR 11 N 0.02 0.53 -0.41 1.13 2.02 0.71 -1.11 112.91 115.81 1wk0 h THR 11 Ca 0.04 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.27 1wk0 h THR 11 Cb 0.17 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 66.93 1wk0 h THR 11 CO -0.00 0.02 -0.09 0.11 0.37 0.00 0.00 175.52 175.92 1wk0 h LYS 12 N 0.10 0.01 -0.05 6.66 1.57 -1.35 0.17 116.57 123.68 1wk0 h LYS 12 Ca 0.28 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1wk0 h LYS 12 Cb 0.45 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1wk0 h LYS 12 CO -0.49 0.01 -0.01 0.00 -0.57 0.00 0.00 179.45 178.39 1wk0 h ALA 13 N 1.40 1.89 -0.03 3.86 0.00 -1.12 -2.08 119.26 123.19 1wk0 h ALA 13 Ca 0.20 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1wk0 h ALA 13 Cb 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wk0 h ALA 13 CO -0.41 0.09 -0.93 0.74 0.00 0.00 0.00 179.25 178.73 1wk0 h PHE 14 N 0.07 0.83 -0.03 0.00 0.04 0.21 0.19 116.94 118.26 1wk0 h PHE 14 Ca 0.02 -0.43 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 1wk0 h PHE 14 Cb 0.07 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1wk0 h PHE 14 CO 0.00 1.25 -0.12 0.93 -0.60 0.00 0.00 178.31 179.77 1wk0 h GLU 15 N 0.34 0.04 0.04 1.51 5.08 -0.10 0.37 114.58 121.87 1wk0 h GLU 15 Ca -0.09 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 57.93 1wk0 h GLU 15 Cb 1.57 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 1wk0 h GLU 15 CO 0.17 0.17 -1.85 0.00 -1.00 0.00 0.00 179.01 176.51 1wk0 n ALA 16 N -2.51 0.96 0.34 3.43 0.00 -1.02 -3.78 120.51 117.92 1wk0 n ALA 16 Ca -0.02 -0.69 -0.17 0.00 0.00 0.00 0.00 53.44 52.56 1wk0 n ALA 16 Cb 0.21 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.53 -0.69 -2.04 0.00 5.85 -0.57 -1.95 115.31 115.37 1wk0 h LEU 17 Ca -0.46 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.40 1wk0 h LEU 17 Cb 1.66 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.86 1wk0 h LEU 17 CO -0.13 -0.49 0.33 -0.07 -0.34 0.00 0.00 178.44 177.74 1wk0 h LEU 18 N -0.83 0.00 -3.79 2.25 3.38 -1.12 0.27 115.31 115.47 1wk0 h LEU 18 Ca -0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.59 1wk0 h LEU 18 Cb 0.63 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.21 1wk0 h LEU 18 CO 0.14 0.00 0.38 -1.20 0.09 0.00 0.00 178.44 177.84 1wk0 n SER 19 N -4.18 4.58 -0.81 -0.43 7.64 -0.89 -4.20 113.62 115.33 1wk0 n SER 19 Ca 0.07 -3.31 0.04 0.00 1.01 0.00 0.00 58.87 56.68 1wk0 n SER 19 Cb 0.52 -0.77 0.17 0.00 -1.01 0.00 0.00 64.21 63.12 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wk0 n ASN 20 N -0.39 1.81 -4.96 6.43 5.15 0.96 -4.90 115.26 119.35 1wk0 n ASN 20 Ca 0.46 -3.65 -0.22 0.00 -0.60 0.00 0.00 54.58 50.57 1wk0 n ASN 20 Cb 1.47 -0.49 0.02 0.00 -0.53 0.00 0.00 39.78 40.25 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 -2.92 3.46 -0.07 -1.44 -0.00 -1.26 -2.20 121.20 116.77 1wk0 s ILE 21 Ca 0.38 -0.61 -0.06 0.00 -0.00 0.00 0.00 60.65 60.36 1wk0 s ILE 21 Cb 0.37 -3.27 -0.04 0.00 -0.00 0.00 0.00 42.46 39.52 1wk0 s ILE 21 CO -0.08 -0.18 0.19 -0.69 -0.00 0.00 0.00 174.94 174.18 1wk0 s VAL 22 N -2.60 5.43 0.36 8.37 1.01 -1.25 -4.85 120.40 126.87 1wk0 s VAL 22 Ca 0.52 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 1wk0 s VAL 22 Cb -0.10 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 1wk0 s VAL 22 CO 0.37 0.51 1.12 2.29 0.00 0.00 0.00 175.10 179.40 1wk0 n LYS 23 N 1.60 1.65 -2.24 2.72 2.85 -1.26 -4.32 118.16 119.16 1wk0 n LYS 23 Ca -0.16 0.58 -0.41 0.00 -1.05 0.00 0.00 58.31 57.27 1wk0 n LYS 23 Cb 0.54 -2.11 -0.03 0.00 -0.65 0.00 0.00 35.03 32.77 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 -1.88 4.43 -0.27 -1.58 0.04 -1.26 -4.78 135.00 129.71 1wk0 s PRO 24 Ca 0.59 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 1wk0 s PRO 24 Cb -0.59 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 1wk0 s PRO 24 CO 0.59 -0.12 0.18 0.08 0.04 0.00 0.00 177.00 177.77 1wk0 s VAL 25 N -0.62 5.30 -0.14 -0.36 1.01 -0.33 -4.69 120.40 120.58 1wk0 s VAL 25 Ca 0.51 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 1wk0 s VAL 25 Cb -0.37 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1wk0 s VAL 25 CO 0.44 0.29 0.96 0.00 0.00 0.00 0.00 175.10 176.78 1wk0 s ALA 26 N 1.51 3.48 0.35 5.51 0.00 -1.26 -2.09 121.76 129.26 1wk0 s ALA 26 Ca 0.07 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1wk0 s ALA 26 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1wk0 s ALA 26 CO 0.09 -0.68 0.17 -1.12 0.00 0.00 0.00 175.76 174.21 1wk0 s SER 27 N 1.13 2.09 -1.21 0.00 0.01 0.20 -4.83 113.70 111.08 1wk0 s SER 27 Ca 0.45 -1.64 -0.15 0.00 1.31 0.00 0.00 55.95 55.91 1wk0 s SER 27 Cb -0.17 0.46 0.15 0.00 0.21 0.00 0.00 66.02 66.67 1wk0 s SER 27 CO 0.14 -0.93 0.39 0.47 0.41 0.00 0.00 173.24 173.72 1wk0 n ASP 28 N -1.20 -1.19 -4.70 2.44 8.00 -1.26 -1.52 116.55 117.13 1wk0 n ASP 28 Ca -0.01 -0.80 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 1wk0 n ASP 28 Cb 0.64 -1.04 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.81 0.17 -4.08 0.53 5.41 -1.26 -4.16 119.36 113.16 1wk0 n ILE 29 Ca 0.08 -0.03 -0.16 0.00 1.00 0.00 0.00 62.75 63.64 1wk0 n ILE 29 Cb 0.30 -1.99 -0.02 0.00 -0.71 0.00 0.00 39.64 37.22 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 4.70 1.22 0.00 0.38 6.02 0.23 -4.74 117.38 125.19 1wk0 n GLN 30 Ca 0.17 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 1wk0 n GLN 30 Cb 0.35 0.37 0.00 0.00 1.02 0.00 0.00 30.24 31.98 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 -2.26 0.00 -0.03 -1.58 0.00 -1.26 -3.52 120.51 111.85 1wk0 n ALA 31 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1wk0 n ALA 31 Cb 0.33 0.38 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.21 1.97 -3.51 0.00 3.00 -1.26 -3.98 116.66 110.67 1wk0 n ARG 32 Ca 0.00 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.85 57.49 1wk0 n ARG 32 Cb 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 32.46 31.21 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 -2.31 5.02 0.24 0.55 -4.23 -1.26 -4.12 115.64 109.54 1wk0 s THR 33 Ca -0.04 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.75 1wk0 s THR 33 Cb 0.03 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 1wk0 s THR 33 CO 0.33 0.01 0.32 0.68 -0.54 0.00 0.00 174.62 175.42 1wk0 s VAL 34 N -1.71 0.00 -0.40 2.29 -7.23 -1.23 0.73 120.40 112.85 1wk0 s VAL 34 Ca 0.44 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1wk0 s VAL 34 Cb -0.12 -2.40 0.11 0.00 0.56 0.00 0.00 36.38 34.53 1wk0 s VAL 34 CO 0.22 0.00 0.19 -0.69 -0.31 0.00 0.00 175.10 174.51 1wk0 s VAL 35 N -3.94 3.24 -0.41 1.32 1.01 -0.58 -2.53 120.40 118.52 1wk0 s VAL 35 Ca 0.31 -2.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.10 1wk0 s VAL 35 Cb 0.03 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1wk0 s VAL 35 CO 0.13 -0.65 0.49 -0.22 0.00 0.00 0.00 175.10 174.85 1wk0 s LEU 36 N 1.14 4.65 -0.18 3.92 2.96 -0.42 -0.63 118.68 130.13 1wk0 s LEU 36 Ca 0.07 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1wk0 s LEU 36 Cb -0.22 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 43.98 1wk0 s LEU 36 CO -0.04 -0.59 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.33 1wk0 s THR 37 N 2.33 2.28 0.27 3.68 2.01 -0.89 -1.59 115.64 123.73 1wk0 s THR 37 Ca 0.16 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1wk0 s THR 37 Cb -0.16 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.33 1wk0 s THR 37 CO 0.15 0.52 -0.02 -1.66 -0.69 0.00 0.00 174.62 172.92 1wk0 s TRP 38 N 1.21 1.78 0.21 4.92 -2.14 -1.15 -1.18 118.94 122.59 1wk0 s TRP 38 Ca 0.03 -0.84 0.07 0.00 2.66 0.00 0.00 56.10 58.02 1wk0 s TRP 38 Cb -0.14 -1.05 -0.04 0.00 -3.10 0.00 0.00 33.47 29.14 1wk0 s TRP 38 CO -0.09 0.10 0.07 -1.12 -2.66 0.00 0.00 176.95 173.25 1wk0 s SER 39 N -3.39 5.04 0.86 -2.66 0.01 -1.26 -4.67 113.70 107.63 1wk0 s SER 39 Ca 0.30 -0.36 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 1wk0 s SER 39 Cb 0.05 -1.15 0.11 0.00 0.21 0.00 0.00 66.02 65.24 1wk0 s SER 39 CO 0.11 0.04 1.09 -2.16 0.41 0.00 0.00 173.24 172.73 1wk0 s PRO 40 N -3.34 1.54 0.54 12.44 0.04 -1.26 -3.86 135.00 141.09 1wk0 s PRO 40 Ca 0.30 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1wk0 s PRO 40 Cb -0.08 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1wk0 s PRO 40 CO 0.21 -2.07 1.13 -1.25 0.04 0.00 0.00 177.00 175.06 1wk0 s PRO 41 N -4.93 3.40 -0.44 0.56 0.04 -1.26 -4.52 135.00 127.84 1wk0 s PRO 41 Ca 0.63 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 1wk0 s PRO 41 Cb -0.18 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1wk0 s PRO 41 CO 0.57 -0.82 0.60 -1.12 0.04 0.00 0.00 177.00 176.27 1wk0 s SER 42 N -1.73 6.28 -0.19 6.66 0.01 -0.94 -4.93 113.70 118.86 1wk0 s SER 42 Ca 0.72 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.20 1wk0 s SER 42 Cb -0.24 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1wk0 s SER 42 CO 0.28 -0.76 1.88 -0.94 0.41 0.00 0.00 173.24 174.11 1wk0 s SER 43 N 2.06 6.05 -0.03 2.44 1.04 -1.26 -4.84 113.70 119.16 1wk0 s SER 43 Ca 0.19 1.85 0.04 0.00 0.48 0.00 0.00 55.95 58.52 1wk0 s SER 43 Cb -0.15 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.60 1wk0 s SER 43 CO 0.17 -1.49 0.94 0.18 0.98 0.00 0.00 173.24 174.02 1wk0 n LEU 44 N 9.49 1.44 0.04 2.42 4.77 -1.26 -4.12 117.00 129.78 1wk0 n LEU 44 Ca 0.23 -0.72 0.03 0.00 -0.03 0.00 0.00 56.01 55.51 1wk0 n LEU 44 Cb 0.45 -0.33 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 1wk0 n LEU 44 CO 0.66 0.27 0.59 -0.38 -1.33 0.00 0.00 177.39 177.20 1wk0 n ILE 45 N 0.05 1.58 -1.85 -0.08 5.41 -1.26 -4.78 119.36 118.43 1wk0 n ILE 45 Ca 0.06 0.56 -0.05 0.00 1.00 0.00 0.00 62.75 64.32 1wk0 n ILE 45 Cb 0.30 -1.56 -0.01 0.00 -0.71 0.00 0.00 39.64 37.65 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 -1.65 -2.65 0.00 4.38 3.02 -1.26 -3.06 115.26 114.04 1wk0 n ASN 46 Ca -0.00 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1wk0 n ASN 46 Cb 0.06 -1.64 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 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 -1.36 2.88 0.49 7.41 0.00 -1.26 -4.81 105.19 108.54 1wk0 n GLY 47 Ca -0.06 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 0.79 0.00 -7.01 1.61 4.81 -1.94 -3.39 114.58 109.45 1wk0 h GLU 48 Ca 0.00 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 1wk0 h GLU 48 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1wk0 h GLU 48 CO 0.00 0.00 0.30 -0.08 -0.73 0.00 0.00 179.01 178.50 1wk0 s THR 49 N -4.41 4.44 0.42 0.32 -1.32 -1.26 -5.04 115.64 108.79 1wk0 s THR 49 Ca -0.03 1.39 -0.23 0.00 -1.21 0.00 0.00 61.69 61.62 1wk0 s THR 49 Cb 0.13 -3.61 -0.09 0.00 -1.51 0.00 0.00 72.50 67.42 1wk0 s THR 49 CO 0.43 -0.32 1.01 -0.62 -2.21 0.00 0.00 174.62 172.92 1wk0 s ASP 50 N -2.23 6.75 0.24 8.08 2.15 -1.26 -4.95 116.67 125.45 1wk0 s ASP 50 Ca 0.61 1.92 -0.04 0.00 0.43 0.00 0.00 52.55 55.46 1wk0 s ASP 50 Cb -0.09 -2.57 0.45 0.00 -0.30 0.00 0.00 42.92 40.41 1wk0 s ASP 50 CO 0.14 -0.49 1.73 -0.33 -0.17 0.00 0.00 175.17 176.06 1wk0 h GLU 51 N 2.22 0.44 -1.40 4.34 4.39 -1.96 0.25 114.58 122.86 1wk0 h GLU 51 Ca -0.49 -0.03 -0.37 0.00 0.34 0.00 0.00 59.36 58.82 1wk0 h GLU 51 Cb 1.21 -0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 29.60 1wk0 h GLU 51 CO 0.61 0.29 0.47 0.43 -1.16 0.00 0.00 179.01 179.66 1wk0 n SER 52 N -4.99 6.33 0.00 1.42 7.64 -1.26 -4.38 113.62 118.38 1wk0 n SER 52 Ca 0.14 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.88 1wk0 n SER 52 Cb 0.41 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.11 0.00 -4.54 6.43 2.88 0.08 -4.98 113.62 113.60 1wk0 n SER 53 Ca 0.35 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.37 1wk0 n SER 53 Cb 0.64 -0.19 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 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 -2.37 0.28 -1.24 2.46 0.24 -1.25 -4.92 118.33 111.53 1wk0 n VAL 54 Ca 0.00 -0.20 -0.31 0.00 -2.04 0.00 0.00 64.34 61.79 1wk0 n VAL 54 Cb 0.00 -1.64 0.11 0.00 -1.47 0.00 0.00 33.84 30.84 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 5.37 1.94 -0.17 7.34 0.04 -1.26 -4.99 135.00 143.27 1wk0 s PRO 55 Ca 1.04 1.06 0.14 0.00 0.04 0.00 0.00 61.00 63.28 1wk0 s PRO 55 Cb -0.85 -1.87 0.41 0.00 0.04 0.00 0.00 34.50 32.22 1wk0 s PRO 55 CO 0.52 -1.83 1.20 -0.85 0.04 0.00 0.00 177.00 176.08 1wk0 n GLU 56 N -3.64 1.29 -0.55 4.56 0.28 -1.26 -4.68 120.64 116.64 1wk0 n GLU 56 Ca 0.08 -3.02 0.03 0.00 -0.16 0.00 0.00 57.16 54.10 1wk0 n GLU 56 Cb 0.54 -1.34 0.22 0.00 1.43 0.00 0.00 31.44 32.28 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 -0.87 3.73 -4.54 -1.84 7.99 -1.26 -4.86 117.00 115.34 1wk0 n LEU 57 Ca 0.16 -3.38 -0.41 0.00 -0.01 0.00 0.00 56.01 52.38 1wk0 n LEU 57 Cb 0.76 -0.57 -0.05 0.00 -0.11 0.00 0.00 43.42 43.45 1wk0 n LEU 57 CO -0.04 0.95 1.96 -1.22 -1.51 0.00 0.00 177.39 177.53 1wk0 n TYR 58 N -0.92 1.54 -1.45 -1.77 4.01 -1.26 -4.79 117.16 112.52 1wk0 n TYR 58 Ca 0.25 0.10 -0.48 0.00 -0.16 0.00 0.00 57.90 57.62 1wk0 n TYR 58 Cb 0.91 -2.62 -0.08 0.00 -0.31 0.00 0.00 39.34 37.23 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 6.09 0.21 3.54 2.72 0.00 -0.12 -4.59 105.19 113.04 1wk0 n GLY 59 Ca 0.38 0.95 -0.42 0.00 0.00 0.00 0.00 46.02 46.93 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 8.28 3.16 -0.27 1.61 2.02 -0.35 -0.61 117.35 131.19 1wk0 s TYR 60 Ca 1.13 0.09 -0.12 0.00 -0.37 0.00 0.00 57.07 57.80 1wk0 s TYR 60 Cb -0.88 -2.97 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 1wk0 s TYR 60 CO 0.47 -0.59 0.21 -2.00 -1.57 0.00 0.00 175.55 172.07 1wk0 s GLU 61 N 2.41 3.98 -0.35 -0.62 -6.30 0.83 -3.34 118.70 115.30 1wk0 s GLU 61 Ca 0.18 -0.26 -0.22 0.00 -2.50 0.00 0.00 54.97 52.17 1wk0 s GLU 61 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 34.13 30.34 1wk0 s GLU 61 CO 0.14 -0.16 0.73 0.08 0.02 0.00 0.00 175.26 176.08 1wk0 s VAL 62 N 1.70 4.80 -0.07 3.70 1.01 -0.91 -1.40 120.40 129.23 1wk0 s VAL 62 Ca 0.08 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1wk0 s VAL 62 Cb -0.16 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1wk0 s VAL 62 CO 0.10 -0.35 -0.13 -0.76 0.00 0.00 0.00 175.10 173.97 1wk0 s LEU 63 N 2.94 2.80 0.10 3.92 1.43 -0.59 -1.86 118.68 127.41 1wk0 s LEU 63 Ca 0.29 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1wk0 s LEU 63 Cb -0.14 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1wk0 s LEU 63 CO 0.15 0.30 -0.04 0.27 0.23 0.00 0.00 176.35 177.26 1wk0 s ILE 64 N -0.47 0.54 -0.23 -0.59 -4.36 -1.09 -0.80 121.20 114.20 1wk0 s ILE 64 Ca 0.06 -1.91 -0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1wk0 s ILE 64 Cb -0.12 -1.74 0.10 0.00 1.25 0.00 0.00 42.46 41.95 1wk0 s ILE 64 CO 0.02 -0.81 0.22 -0.94 0.24 0.00 0.00 174.94 173.67 1wk0 s SER 65 N -3.04 1.71 0.28 4.36 1.04 -1.21 -2.45 113.70 114.40 1wk0 s SER 65 Ca 0.14 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1wk0 s SER 65 Cb 0.06 0.31 0.42 0.00 0.10 0.00 0.00 66.02 66.91 1wk0 s SER 65 CO -0.04 -0.35 1.69 0.77 0.98 0.00 0.00 173.24 176.29 1wk0 h SER 66 N 8.32 0.33 -0.19 7.02 4.64 -1.91 -3.28 113.55 128.49 1wk0 h SER 66 Ca -0.16 -0.13 -0.59 0.00 -0.47 0.00 0.00 61.79 60.43 1wk0 h SER 66 Cb 1.12 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1wk0 h SER 66 CO 0.31 0.69 2.79 0.41 -0.87 0.00 0.00 176.83 180.16 1wk0 n THR 67 N -4.05 4.17 -1.17 2.95 -1.04 -1.26 -4.91 114.28 108.98 1wk0 n THR 67 Ca -0.01 -2.63 0.14 0.00 -2.04 0.00 0.00 64.05 59.51 1wk0 n THR 67 Cb 0.47 -2.40 -0.08 0.00 -1.82 0.00 0.00 70.33 66.50 1wk0 n THR 67 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wk0 n GLY 68 N 3.05 -3.23 0.37 3.41 0.00 -1.24 -3.74 105.19 103.82 1wk0 n GLY 68 Ca 0.69 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.15 1.28 -2.01 1.61 3.64 -1.91 -2.75 116.57 115.28 1wk0 h LYS 69 Ca -0.16 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.02 1wk0 h LYS 69 Cb 1.12 -0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 1wk0 h LYS 69 CO 0.06 0.85 -0.25 -0.40 -2.27 0.00 0.00 179.45 177.44 1wk0 n ASP 70 N -4.39 5.19 0.00 4.20 5.75 -1.26 -4.76 116.55 121.29 1wk0 n ASP 70 Ca 0.11 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1wk0 n ASP 70 Cb 0.01 -1.30 0.00 0.00 -1.03 0.00 0.00 41.12 38.80 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wk0 n GLY 71 N 2.17 5.27 3.80 6.12 0.00 -1.04 -5.11 105.19 116.41 1wk0 n GLY 71 Ca 0.28 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 2.65 3.75 -0.03 1.61 2.36 -1.26 -5.08 119.74 123.73 1wk0 s LYS 72 Ca 0.00 -0.18 -0.02 0.00 -2.55 0.00 0.00 55.97 53.22 1wk0 s LYS 72 Cb 0.00 -3.27 -0.04 0.00 -1.05 0.00 0.00 37.83 33.47 1wk0 s LYS 72 CO 0.00 0.56 0.10 0.71 1.55 0.00 0.00 175.35 178.27 1wk0 s TYR 73 N -0.41 3.36 0.04 4.03 1.51 -1.26 -4.39 117.35 120.23 1wk0 s TYR 73 Ca 0.12 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1wk0 s TYR 73 Cb -0.12 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1wk0 s TYR 73 CO 0.01 0.58 -0.07 -1.59 -1.11 0.00 0.00 175.55 173.37 1wk0 s LYS 74 N -1.59 0.52 0.06 -0.62 -2.85 -1.02 -4.92 119.74 109.32 1wk0 s LYS 74 Ca 0.22 -0.77 -0.30 0.00 -1.00 0.00 0.00 55.97 54.12 1wk0 s LYS 74 Cb -0.12 -0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 35.35 1wk0 s LYS 74 CO 0.12 0.04 0.96 -1.54 0.10 0.00 0.00 175.35 175.03 1wk0 s SER 75 N -1.62 7.43 -0.08 0.03 1.04 -1.26 -2.68 113.70 116.56 1wk0 s SER 75 Ca -0.10 1.72 0.05 0.00 0.48 0.00 0.00 55.95 58.11 1wk0 s SER 75 Cb -0.09 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.37 1wk0 s SER 75 CO 0.00 -0.14 0.00 1.33 0.98 0.00 0.00 173.24 175.41 1wk0 n VAL 76 N 3.24 0.50 -3.75 5.02 0.24 -0.78 -5.03 118.33 117.78 1wk0 n VAL 76 Ca 0.04 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1wk0 n VAL 76 Cb 0.50 -0.81 -0.11 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.18 -0.40 -0.20 6.34 6.14 -1.26 -4.97 117.35 120.83 1wk0 s TYR 77 Ca -0.06 0.95 -0.02 0.00 0.64 0.00 0.00 57.07 58.58 1wk0 s TYR 77 Cb 0.02 0.14 0.06 0.00 0.42 0.00 0.00 41.96 42.60 1wk0 s TYR 77 CO 0.28 -0.20 0.03 0.08 0.64 0.00 0.00 175.55 176.38 1wk0 s VAL 78 N 0.40 0.61 0.00 3.14 1.01 -1.26 -2.14 120.40 122.16 1wk0 s VAL 78 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1wk0 s VAL 78 Cb -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1wk0 s VAL 78 CO -0.02 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1wk0 n GLY 79 N 5.01 4.30 0.02 4.51 0.00 -1.21 -5.00 105.19 112.82 1wk0 n GLY 79 Ca -0.09 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 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 2.54 -0.84 1.61 4.71 -1.26 -1.21 120.64 126.19 1wk0 n GLU 80 Ca 0.00 0.01 -0.34 0.00 -0.01 0.00 0.00 57.16 56.82 1wk0 n GLU 80 Cb 0.00 -1.10 0.10 0.00 -1.01 0.00 0.00 31.44 29.43 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 -2.27 -0.36 0.05 3.49 -0.58 -1.26 -4.63 120.64 115.07 1wk0 n GLU 81 Ca -0.07 -0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.37 1wk0 n GLU 81 Cb 0.62 -1.59 -0.15 0.00 -0.57 0.00 0.00 31.44 29.76 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1wk0 h THR 82 N -1.46 0.84 -3.82 2.62 1.35 -1.94 -3.45 112.91 107.05 1wk0 h THR 82 Ca -0.45 -2.48 -0.68 0.00 -0.55 0.00 0.00 66.41 62.26 1wk0 h THR 82 Cb 1.30 2.67 -0.20 0.00 -1.73 0.00 0.00 68.15 70.19 1wk0 h THR 82 CO 0.31 0.87 -0.74 0.21 -0.25 0.00 0.00 175.52 175.92 1wk0 s ASN 83 N -7.18 4.28 0.17 5.36 2.47 -1.26 -2.93 114.94 115.85 1wk0 s ASN 83 Ca -0.17 -0.20 -0.14 0.00 0.42 0.00 0.00 52.86 52.77 1wk0 s ASN 83 Cb 0.06 -0.93 0.01 0.00 -1.45 0.00 0.00 41.25 38.94 1wk0 s ASN 83 CO 0.83 0.31 0.40 0.27 -3.72 0.00 0.00 177.10 175.18 1wk0 s ILE 84 N -0.88 0.05 -0.23 -5.21 -5.25 -0.62 -5.01 121.20 104.06 1wk0 s ILE 84 Ca 0.14 -0.99 -0.05 0.00 -0.99 0.00 0.00 60.65 58.76 1wk0 s ILE 84 Cb -0.11 -1.59 -0.01 0.00 2.95 0.00 0.00 42.46 43.70 1wk0 s ILE 84 CO 0.04 -0.25 -0.01 -0.89 -1.79 0.00 0.00 174.94 172.04 1wk0 s THR 85 N -3.90 3.65 0.66 8.37 2.01 -1.26 -1.31 115.64 123.87 1wk0 s THR 85 Ca 0.11 -0.40 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 1wk0 s THR 85 Cb 0.01 -2.68 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 1wk0 s THR 85 CO -0.04 0.40 1.08 -0.76 -0.69 0.00 0.00 174.62 174.61 1wk0 s LEU 86 N 1.51 3.34 0.19 4.42 1.43 -1.05 -4.88 118.68 123.64 1wk0 s LEU 86 Ca 0.06 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 1wk0 s LEU 86 Cb -0.14 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.54 1wk0 s LEU 86 CO -0.01 -1.48 0.37 0.20 0.23 0.00 0.00 176.35 175.65 1wk0 s ASN 87 N -2.98 -0.04 -1.43 2.29 0.01 -1.26 -3.58 114.94 107.95 1wk0 s ASN 87 Ca 0.63 -0.83 -0.03 0.00 -0.71 0.00 0.00 52.86 51.92 1wk0 s ASN 87 Cb -0.17 0.49 0.00 0.00 0.41 0.00 0.00 41.25 41.98 1wk0 s ASN 87 CO 0.44 -0.98 0.43 0.47 -1.51 0.00 0.00 177.10 175.95 1wk0 n ASP 88 N -0.28 -5.59 -4.58 -1.22 8.00 -1.26 -5.00 116.55 106.62 1wk0 n ASP 88 Ca -0.06 -0.20 -0.20 0.00 0.71 0.00 0.00 54.79 55.03 1wk0 n ASP 88 Cb 0.63 -4.47 0.09 0.00 -0.02 0.00 0.00 41.12 37.35 1wk0 n ASP 88 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wk0 n LEU 89 N -3.41 0.00 -4.31 0.64 4.77 -1.26 -5.09 117.00 108.34 1wk0 n LEU 89 Ca -0.13 -2.17 -0.37 0.00 -0.03 0.00 0.00 56.01 53.31 1wk0 n LEU 89 Cb 0.62 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 1wk0 n LEU 89 CO 0.39 -0.85 -0.29 -0.54 -1.33 0.00 0.00 177.39 174.77 1wk0 s LYS 90 N -4.77 2.96 0.68 3.23 1.02 -1.26 -4.85 119.74 116.75 1wk0 s LYS 90 Ca 0.61 -0.94 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 1wk0 s LYS 90 Cb -0.04 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 1wk0 s LYS 90 CO 0.40 -0.48 1.11 -1.25 -0.92 0.00 0.00 175.35 174.20 1wk0 s PRO 91 N 1.46 2.72 -1.21 -1.68 0.04 -1.26 -3.72 135.00 131.34 1wk0 s PRO 91 Ca 0.01 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1wk0 s PRO 91 Cb -0.18 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1wk0 s PRO 91 CO 0.02 -1.31 0.83 0.00 0.04 0.00 0.00 177.00 176.57 1wk0 n ALA 92 N -2.58 -1.00 -2.50 8.56 0.00 -0.59 -4.83 120.51 117.56 1wk0 n ALA 92 Ca 0.10 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 1wk0 n ALA 92 Cb 0.52 -4.26 -0.08 0.00 0.00 0.00 0.00 19.45 15.63 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 -5.90 0.84 -0.09 0.00 0.00 -1.21 -4.97 119.30 107.97 1wk0 s MET 93 Ca 0.41 -1.01 0.02 0.00 0.00 0.00 0.00 55.69 55.11 1wk0 s MET 93 Cb -0.18 0.33 0.01 0.00 0.00 0.00 0.00 34.83 34.99 1wk0 s MET 93 CO 0.51 -0.26 -0.15 0.16 0.00 0.00 0.00 175.02 175.28 1wk0 s ASP 94 N -2.88 2.20 0.10 1.11 -4.77 -1.26 -1.24 116.67 109.93 1wk0 s ASP 94 Ca 0.06 -0.38 -0.10 0.00 -3.30 0.00 0.00 52.55 48.84 1wk0 s ASP 94 Cb 0.05 -0.99 0.00 0.00 -1.09 0.00 0.00 42.92 40.89 1wk0 s ASP 94 CO -0.10 0.04 0.23 -0.72 0.70 0.00 0.00 175.17 175.32 1wk0 s TYR 95 N 0.79 0.15 0.47 2.11 1.13 -1.25 -4.86 117.35 115.88 1wk0 s TYR 95 Ca -0.11 -0.55 -0.04 0.00 -1.41 0.00 0.00 57.07 54.95 1wk0 s TYR 95 Cb -0.16 -0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 1wk0 s TYR 95 CO 0.02 -0.59 0.76 -1.01 -2.51 0.00 0.00 175.55 172.22 1wk0 s HIS 96 N -3.87 3.53 -0.11 -3.49 3.76 -1.26 -2.19 115.29 111.66 1wk0 s HIS 96 Ca 0.07 0.74 -0.06 0.00 -0.15 0.00 0.00 55.06 55.66 1wk0 s HIS 96 Cb 0.04 -2.28 0.05 0.00 1.11 0.00 0.00 32.58 31.50 1wk0 s HIS 96 CO -0.09 -0.27 0.26 0.00 -0.85 0.00 0.00 174.74 173.79 1wk0 s ALA 97 N -2.71 -0.62 0.42 -1.40 0.00 -0.89 -3.33 121.76 113.24 1wk0 s ALA 97 Ca 0.47 1.04 0.07 0.00 0.00 0.00 0.00 51.96 53.53 1wk0 s ALA 97 Cb -0.10 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 1wk0 s ALA 97 CO 0.44 -0.20 0.03 0.15 0.00 0.00 0.00 175.76 176.18 1wk0 s LYS 98 N 1.20 2.01 -0.06 0.00 1.02 0.01 -1.14 119.74 122.79 1wk0 s LYS 98 Ca -0.09 -2.10 -0.02 0.00 0.02 0.00 0.00 55.97 53.79 1wk0 s LYS 98 Cb -0.10 -1.68 0.03 0.00 -0.52 0.00 0.00 37.83 35.56 1wk0 s LYS 98 CO -0.08 -0.08 0.02 0.54 -0.92 0.00 0.00 175.35 174.82 1wk0 s VAL 99 N -2.71 0.20 -0.13 3.17 0.11 -1.26 -1.54 120.40 118.24 1wk0 s VAL 99 Ca 0.34 0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 59.57 1wk0 s VAL 99 Cb 0.09 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1wk0 s VAL 99 CO 0.18 0.23 0.06 -1.58 -3.33 0.00 0.00 175.10 170.65 1wk0 s GLN 100 N 2.03 3.49 -0.20 1.54 0.74 -0.49 -2.00 119.66 124.78 1wk0 s GLN 100 Ca 0.05 -0.32 -0.10 0.00 0.05 0.00 0.00 55.36 55.04 1wk0 s GLN 100 Cb -0.12 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 30.89 1wk0 s GLN 100 CO -0.04 0.55 0.13 0.00 -0.55 0.00 0.00 175.29 175.37 1wk0 s ALA 101 N -0.41 3.67 -0.08 1.58 0.00 -1.25 -0.12 121.76 125.16 1wk0 s ALA 101 Ca 0.09 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1wk0 s ALA 101 Cb -0.12 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.87 1wk0 s ALA 101 CO 0.02 0.16 -0.07 -2.00 0.00 0.00 0.00 175.76 173.87 1wk0 s GLU 102 N 0.35 1.31 -0.16 0.00 -6.30 0.22 -3.36 118.70 110.75 1wk0 s GLU 102 Ca 0.08 -0.22 -0.10 0.00 -2.50 0.00 0.00 54.97 52.23 1wk0 s GLU 102 Cb -0.11 -1.29 0.06 0.00 0.00 0.00 0.00 34.13 32.78 1wk0 s GLU 102 CO -0.02 -0.14 0.40 -0.47 0.02 0.00 0.00 175.26 175.05 1wk0 s TYR 103 N 1.26 -0.56 -1.03 5.30 6.14 -1.20 -0.94 117.35 126.31 1wk0 s TYR 103 Ca -0.04 1.22 -0.03 0.00 0.64 0.00 0.00 57.07 58.87 1wk0 s TYR 103 Cb -0.14 0.24 0.00 0.00 0.42 0.00 0.00 41.96 42.48 1wk0 s TYR 103 CO -0.02 -0.32 0.34 -1.71 0.64 0.00 0.00 175.55 174.48 1wk0 n ASN 104 N 4.05 -4.48 -2.46 4.32 2.85 -1.26 -2.44 115.26 115.84 1wk0 n ASN 104 Ca -0.22 -0.16 -0.19 0.00 -0.11 0.00 0.00 54.58 53.90 1wk0 n ASN 104 Cb 0.55 -3.39 0.02 0.00 1.24 0.00 0.00 39.78 38.20 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 -0.95 -5.45 -4.01 1.20 7.64 -1.26 -4.98 113.62 105.82 1wk0 n SER 105 Ca -0.09 -0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.30 1wk0 n SER 105 Cb 0.59 -4.35 -0.15 0.00 -1.01 0.00 0.00 64.21 59.29 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 -3.04 2.13 -0.22 0.44 1.01 -1.02 -5.09 121.20 115.41 1wk0 s ILE 106 Ca 0.19 -2.10 -0.22 0.00 0.00 0.00 0.00 60.65 58.51 1wk0 s ILE 106 Cb -0.08 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1wk0 s ILE 106 CO 0.23 -0.48 0.69 -0.54 0.00 0.00 0.00 174.94 174.84 1wk0 s LYS 107 N 1.01 4.19 0.00 2.79 -0.14 -1.26 -3.24 119.74 123.09 1wk0 s LYS 107 Ca 0.07 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.37 1wk0 s LYS 107 Cb -0.19 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.35 1wk0 s LYS 107 CO -0.09 -0.35 0.00 0.41 -0.76 0.00 0.00 175.35 174.57 1wk0 n GLY 108 N 3.86 0.82 3.17 -3.33 0.00 -1.21 -5.02 105.19 103.48 1wk0 n GLY 108 Ca 0.01 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 3.57 1.45 0.13 2.61 2.01 -1.26 -4.97 115.64 119.18 1wk0 s THR 109 Ca 0.00 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 60.92 1wk0 s THR 109 Cb 0.00 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.22 1wk0 s THR 109 CO 0.00 0.41 1.35 -2.16 -0.69 0.00 0.00 174.62 173.54 1wk0 s PRO 110 N -0.33 4.35 0.63 4.92 0.04 -1.26 -4.61 135.00 138.74 1wk0 s PRO 110 Ca 0.05 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 1wk0 s PRO 110 Cb -0.08 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.34 1wk0 s PRO 110 CO -0.00 -0.38 0.29 -1.13 0.04 0.00 0.00 177.00 175.82 1wk0 n SER 111 N 3.68 -2.40 -4.19 6.66 3.41 -0.84 -4.82 113.62 115.12 1wk0 n SER 111 Ca 0.10 -0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.13 1wk0 n SER 111 Cb 0.43 -0.47 0.27 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.91 -1.61 -0.17 4.33 2.02 -1.26 -4.54 118.70 114.55 1wk0 s GLU 112 Ca 0.23 0.60 -0.17 0.00 0.02 0.00 0.00 54.97 55.65 1wk0 s GLU 112 Cb -0.04 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1wk0 s GLU 112 CO 0.19 -4.12 0.43 0.00 0.02 0.00 0.00 175.26 171.78 1wk0 s ALA 113 N -2.40 3.53 -0.42 5.21 0.00 -1.26 -4.34 121.76 122.08 1wk0 s ALA 113 Ca 0.69 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 1wk0 s ALA 113 Cb -0.22 -2.64 0.10 0.00 0.00 0.00 0.00 23.12 20.36 1wk0 s ALA 113 CO 0.63 -0.19 0.24 -2.00 0.00 0.00 0.00 175.76 174.43 1wk0 s GLU 114 N 1.08 2.29 0.40 0.00 2.56 -0.29 -4.76 118.70 119.97 1wk0 s GLU 114 Ca 0.22 -1.69 -0.24 0.00 0.00 0.00 0.00 54.97 53.25 1wk0 s GLU 114 Cb -0.15 -3.69 -0.09 0.00 2.00 0.00 0.00 34.13 32.21 1wk0 s GLU 114 CO 0.08 -1.05 1.07 -1.50 -0.56 0.00 0.00 175.26 173.30 1wk0 s ILE 115 N 1.27 3.64 -0.27 -3.70 2.07 -1.26 -2.10 121.20 120.85 1wk0 s ILE 115 Ca 0.05 1.27 -0.06 0.00 -1.41 0.00 0.00 60.65 60.50 1wk0 s ILE 115 Cb -0.24 -3.66 0.14 0.00 0.13 0.00 0.00 42.46 38.83 1wk0 s ILE 115 CO -0.02 0.02 0.55 0.72 -1.91 0.00 0.00 174.94 174.30 1wk0 s PHE 116 N -1.63 -1.22 -0.28 3.50 -0.12 -0.93 -4.91 117.98 112.39 1wk0 s PHE 116 Ca 0.58 1.79 -0.28 0.00 -0.05 0.00 0.00 56.93 58.97 1wk0 s PHE 116 Cb -0.23 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.69 1wk0 s PHE 116 CO 0.29 -0.69 1.02 0.99 -0.05 0.00 0.00 175.22 176.78 1wk0 s THR 117 N 2.78 4.62 0.26 -4.49 2.01 -1.26 -3.89 115.64 115.66 1wk0 s THR 117 Ca 0.05 1.76 -0.17 0.00 0.31 0.00 0.00 61.69 63.64 1wk0 s THR 117 Cb -0.13 -4.33 -0.08 0.00 0.01 0.00 0.00 72.50 67.96 1wk0 s THR 117 CO -0.18 -0.33 0.71 0.42 -0.69 0.00 0.00 174.62 174.56 1wk0 s THR 118 N 3.38 4.64 0.80 -0.82 -4.23 -0.37 -4.95 115.64 114.08 1wk0 s THR 118 Ca 0.43 1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.93 1wk0 s THR 118 Cb -0.13 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.03 1wk0 s THR 118 CO 0.11 0.04 1.09 -1.48 -0.54 0.00 0.00 174.62 173.85 1wk0 s LEU 119 N -2.40 2.74 0.38 4.79 2.34 -1.23 -1.54 118.68 123.75 1wk0 s LEU 119 Ca 0.47 1.61 -0.09 0.00 0.06 0.00 0.00 54.13 56.17 1wk0 s LEU 119 Cb -0.14 -4.23 -0.06 0.00 -0.56 0.00 0.00 46.19 41.20 1wk0 s LEU 119 CO 0.19 -2.13 0.72 -0.55 -1.06 0.00 0.00 176.35 173.53 1wk0 s SER 120 N -3.54 6.51 0.60 1.48 0.15 -1.26 -2.09 113.70 115.55 1wk0 s SER 120 Ca 0.61 1.05 0.29 0.00 0.70 0.00 0.00 55.95 58.60 1wk0 s SER 120 Cb -0.16 -2.29 1.04 0.00 -1.71 0.00 0.00 66.02 62.90 1wk0 s SER 120 CO 0.56 -0.35 1.39 0.00 1.20 0.00 0.00 173.24 176.04 1wk0 s GLU 122 N -4.49 3.98 -1.19 0.00 -1.05 -1.26 -4.97 118.70 109.72 1wk0 s GLU 122 Ca -0.03 0.58 -0.23 0.00 -0.15 0.00 0.00 54.97 55.14 1wk0 s GLU 122 Cb 0.15 -2.60 -0.09 0.00 -0.44 0.00 0.00 34.13 31.15 1wk0 s GLU 122 CO 0.51 0.26 1.93 -1.25 0.95 0.00 0.00 175.26 177.67 1wk0 s PRO 123 N -2.69 2.49 -0.15 -4.83 0.04 -1.26 -4.50 135.00 124.09 1wk0 s PRO 123 Ca 0.49 -1.19 0.02 0.00 0.04 0.00 0.00 61.00 60.37 1wk0 s PRO 123 Cb -0.12 -5.25 -0.11 0.00 0.04 0.00 0.00 34.50 29.07 1wk0 s PRO 123 CO 0.19 -4.01 -0.12 -3.47 0.04 0.00 0.00 177.00 169.63 1wk0 n ASP 124 N 14.42 2.71 -4.83 6.66 2.03 -1.26 -4.99 116.55 131.28 1wk0 n ASP 124 Ca 0.45 -0.08 -0.38 0.00 0.52 0.00 0.00 54.79 55.31 1wk0 n ASP 124 Cb 0.47 -0.14 -0.06 0.00 -0.72 0.00 0.00 41.12 40.66 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wk0 s ILE 125 N -2.31 5.17 -0.12 5.18 1.09 -1.26 -5.04 121.20 123.91 1wk0 s ILE 125 Ca -0.20 0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 59.73 1wk0 s ILE 125 Cb 0.05 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 1wk0 s ILE 125 CO 0.37 0.57 1.54 -2.16 -0.10 0.00 0.00 174.94 175.16 1wk0 s PRO 126 N -0.89 4.12 0.27 2.79 0.04 -1.26 -5.01 135.00 135.05 1wk0 s PRO 126 Ca 0.21 1.94 0.11 0.00 0.04 0.00 0.00 61.00 63.29 1wk0 s PRO 126 Cb -0.15 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.41 1wk0 s PRO 126 CO 0.10 -0.90 -0.10 -0.80 0.04 0.00 0.00 177.00 175.35 1wk0 s ASN 127 N 3.15 4.11 0.85 6.66 -0.87 -1.26 -5.11 114.94 122.46 1wk0 s ASN 127 Ca 0.68 -0.81 -0.11 0.00 -1.57 0.00 0.00 52.86 51.05 1wk0 s ASN 127 Cb -0.28 -0.60 0.10 0.00 -0.02 0.00 0.00 41.25 40.45 1wk0 s ASN 127 CO 0.25 0.03 1.09 -2.16 -2.57 0.00 0.00 177.10 173.74 1wk0 s PRO 128 N -3.53 1.66 0.48 -0.60 0.04 -1.26 -5.01 135.00 126.77 1wk0 s PRO 128 Ca 0.30 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 1wk0 s PRO 128 Cb -0.06 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1wk0 s PRO 128 CO 0.17 -2.00 1.15 -1.25 0.04 0.00 0.00 177.00 175.11 1wk0 s PRO 129 N -4.92 3.65 -0.30 0.56 0.04 -1.26 -5.04 135.00 127.73 1wk0 s PRO 129 Ca 0.62 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 1wk0 s PRO 129 Cb -0.18 -2.30 0.19 0.00 0.04 0.00 0.00 34.50 32.25 1wk0 s PRO 129 CO 0.57 -0.63 0.82 0.50 0.04 0.00 0.00 177.00 178.30 1wk0 s ARG 130 N -2.85 0.38 -0.03 4.56 3.52 -1.26 -5.07 118.95 118.19 1wk0 s ARG 130 Ca 0.66 0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 56.72 1wk0 s ARG 130 Cb -0.27 0.32 -0.07 0.00 -1.56 0.00 0.00 34.95 33.37 1wk0 s ARG 130 CO 0.33 -0.48 0.60 0.82 -0.81 0.00 0.00 175.30 175.75 1wk0 h ILE 131 N 5.58 0.00 0.00 4.11 1.08 -2.02 -3.44 117.51 122.82 1wk0 h ILE 131 Ca -0.15 -0.54 -0.62 0.00 -0.39 0.00 0.00 64.86 63.16 1wk0 h ILE 131 Cb 1.17 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 1wk0 h ILE 131 CO 0.07 0.00 1.28 -1.54 -0.69 0.00 0.00 178.15 177.27 1wk0 n SER 132 N -4.79 0.55 0.00 1.72 3.41 -1.26 -4.68 113.62 108.57 1wk0 n SER 132 Ca -0.06 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1wk0 n SER 132 Cb 0.19 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1wk0 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wk0 n GLY 133 N 6.40 -0.18 3.73 5.00 0.00 -1.26 -5.12 105.19 113.76 1wk0 n GLY 133 Ca 0.51 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1wk0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wk0 s PRO 134 N -1.80 4.36 -0.37 1.61 0.04 -1.26 -5.01 135.00 132.57 1wk0 s PRO 134 Ca 0.00 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1wk0 s PRO 134 Cb 0.00 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.42 1wk0 s PRO 134 CO 0.00 -0.33 0.12 -1.12 0.04 0.00 0.00 177.00 175.71 1wk0 s SER 135 N 0.71 4.34 0.07 6.66 0.01 -1.26 -5.09 113.70 119.14 1wk0 s SER 135 Ca 0.60 -2.22 -0.12 0.00 1.31 0.00 0.00 55.95 55.52 1wk0 s SER 135 Cb -0.36 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.55 1wk0 s SER 135 CO 0.34 -0.35 0.28 -0.44 0.41 0.00 0.00 173.24 173.48 1wk0 s SER 136 N 0.83 -0.06 0.00 2.44 0.01 -1.26 -5.31 113.70 110.36 1wk0 s SER 136 Ca 0.13 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1wk0 s SER 136 Cb -0.20 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1wk0 s SER 136 CO -0.10 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.48