#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 4.31 -0.51 1.61 0.01 -1.26 -5.03 113.70 112.83 1wk0 s SER 2 Ca 0.00 -0.67 -0.35 0.00 1.31 0.00 0.00 55.95 56.24 1wk0 s SER 2 Cb 0.00 -0.73 -0.14 0.00 0.21 0.00 0.00 66.02 65.36 1wk0 s SER 2 CO 0.00 0.05 2.30 -0.24 0.41 0.00 0.00 173.24 175.76 1wk0 n SER 3 N -0.50 1.56 -2.88 2.44 2.88 -1.26 -4.82 113.62 111.04 1wk0 n SER 3 Ca -0.08 0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 1wk0 n SER 3 Cb 0.58 -1.17 0.01 0.00 -0.75 0.00 0.00 64.21 62.88 1wk0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk0 n GLY 4 N 6.66 0.73 4.39 0.46 0.00 -1.26 -4.96 105.19 111.20 1wk0 n GLY 4 Ca 0.48 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1wk0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wk0 n SER 5 N 1.75 -1.41 -0.05 1.61 3.41 -1.26 -4.81 113.62 112.86 1wk0 n SER 5 Ca 0.13 -1.20 -0.14 0.00 -0.26 0.00 0.00 58.87 57.41 1wk0 n SER 5 Cb 0.59 -1.52 -0.12 0.00 -0.26 0.00 0.00 64.21 62.90 1wk0 n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wk0 h SER 6 N -0.93 -0.00 0.00 4.04 4.64 -1.93 -3.48 113.55 115.89 1wk0 h SER 6 Ca -0.58 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 59.92 1wk0 h SER 6 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1wk0 h SER 6 CO 0.83 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 178.23 1wk0 n GLY 7 N 1.14 -0.91 0.13 -0.77 0.00 -1.26 -5.08 105.19 98.44 1wk0 n GLY 7 Ca -0.09 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 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 2.01 -0.42 1.61 9.92 -1.26 -4.04 116.55 124.37 1wk0 n ASP 8 Ca 0.00 0.29 0.35 0.00 -0.53 0.00 0.00 54.79 54.89 1wk0 n ASP 8 Cb 0.00 -0.89 0.62 0.00 -0.64 0.00 0.00 41.12 40.22 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wk0 h GLU 9 N -0.42 0.11 -0.22 -1.24 5.08 -2.00 0.84 114.58 116.73 1wk0 h GLU 9 Ca -0.42 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 1wk0 h GLU 9 Cb 1.71 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 1wk0 h GLU 9 CO -0.07 0.07 -0.32 0.93 -1.00 0.00 0.00 179.01 178.62 1wk0 h GLU 10 N 0.11 0.60 -0.73 2.33 5.08 -2.00 -2.99 114.58 116.98 1wk0 h GLU 10 Ca 0.81 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 1wk0 h GLU 10 Cb 2.41 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.66 1wk0 h GLU 10 CO -0.47 0.96 0.40 1.15 -1.00 0.00 0.00 179.01 180.05 1wk0 h THR 11 N 0.29 1.22 -0.17 1.13 2.02 0.48 -2.71 112.91 115.18 1wk0 h THR 11 Ca 0.02 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.67 1wk0 h THR 11 Cb 0.90 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1wk0 h THR 11 CO 0.07 0.25 -0.02 0.11 0.37 0.00 0.00 175.52 176.30 1wk0 h LYS 12 N 1.01 0.03 -0.74 6.66 1.57 -1.11 -0.74 116.57 123.25 1wk0 h LYS 12 Ca 0.26 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.14 1wk0 h LYS 12 Cb 0.04 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1wk0 h LYS 12 CO -0.04 0.02 0.49 0.00 -0.57 0.00 0.00 179.45 179.35 1wk0 h ALA 13 N 1.15 1.87 -0.07 3.86 0.00 -1.36 -0.40 119.26 124.33 1wk0 h ALA 13 Ca 0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1wk0 h ALA 13 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wk0 h ALA 13 CO -0.15 -0.04 -0.66 0.74 0.00 0.00 0.00 179.25 179.14 1wk0 h PHE 14 N 0.61 0.36 -0.03 0.00 0.04 -1.02 0.26 116.94 117.16 1wk0 h PHE 14 Ca 0.35 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 1wk0 h PHE 14 Cb 0.54 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1wk0 h PHE 14 CO -0.00 0.85 -0.31 0.93 -0.60 0.00 0.00 178.31 179.18 1wk0 h GLU 15 N 0.19 0.05 0.05 1.51 5.08 0.35 -0.38 114.58 121.43 1wk0 h GLU 15 Ca -0.01 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 1wk0 h GLU 15 Cb 1.19 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1wk0 h GLU 15 CO 0.10 0.35 -1.93 0.00 -1.00 0.00 0.00 179.01 176.54 1wk0 n ALA 16 N -2.48 0.99 0.28 3.43 0.00 -0.89 -3.87 120.51 117.97 1wk0 n ALA 16 Ca -0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 52.54 1wk0 n ALA 16 Cb 0.36 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.44 -0.58 -2.10 0.00 5.85 -0.50 -2.32 115.31 115.21 1wk0 h LEU 17 Ca -0.47 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.31 1wk0 h LEU 17 Cb 1.72 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 1wk0 h LEU 17 CO -0.11 -0.35 0.33 -0.07 -0.34 0.00 0.00 178.44 177.89 1wk0 h LEU 18 N -0.78 0.00 -3.77 2.25 3.38 -1.26 0.34 115.31 115.47 1wk0 h LEU 18 Ca -0.07 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.57 1wk0 h LEU 18 Cb 0.57 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.12 1wk0 h LEU 18 CO 0.12 0.00 0.37 -0.24 0.09 0.00 0.00 178.44 178.77 1wk0 n SER 19 N -3.69 3.97 -0.40 -0.43 2.88 -0.91 -4.09 113.62 110.96 1wk0 n SER 19 Ca 0.04 -3.46 0.07 0.00 -1.33 0.00 0.00 58.87 54.19 1wk0 n SER 19 Cb 0.47 -0.76 0.16 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.74 1.90 -3.28 -3.46 2.85 0.12 -4.88 115.26 107.77 1wk0 n ASN 20 Ca 0.47 -3.40 -0.15 0.00 -0.11 0.00 0.00 54.58 51.39 1wk0 n ASN 20 Cb 1.44 -0.46 0.09 0.00 1.24 0.00 0.00 39.78 42.09 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1wk0 n ILE 21 N -1.16 0.00 -4.91 -1.44 -0.00 -1.26 -2.51 119.36 108.08 1wk0 n ILE 21 Ca 0.16 -0.74 -0.28 0.00 -0.00 0.00 0.00 62.75 61.90 1wk0 n ILE 21 Cb 0.69 -1.41 -0.17 0.00 -0.00 0.00 0.00 39.64 38.75 1wk0 n ILE 21 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1wk0 s VAL 22 N -2.20 1.59 0.20 7.28 1.01 -1.25 -4.92 120.40 122.12 1wk0 s VAL 22 Ca 0.41 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 1wk0 s VAL 22 Cb -0.02 -1.40 -0.17 0.00 0.00 0.00 0.00 36.38 34.80 1wk0 s VAL 22 CO 0.28 0.46 0.61 2.29 0.00 0.00 0.00 175.10 178.74 1wk0 n LYS 23 N 3.52 0.14 -2.26 2.72 2.85 -1.26 -4.27 118.16 119.60 1wk0 n LYS 23 Ca -0.20 0.05 -0.37 0.00 -1.05 0.00 0.00 58.31 56.74 1wk0 n LYS 23 Cb 0.52 -1.12 -0.01 0.00 -0.65 0.00 0.00 35.03 33.77 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 -0.98 3.79 -0.17 -1.58 0.04 -1.26 -4.79 135.00 130.05 1wk0 s PRO 24 Ca 0.65 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 63.42 1wk0 s PRO 24 Cb -0.93 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1wk0 s PRO 24 CO 0.56 -0.53 0.02 0.08 0.04 0.00 0.00 177.00 177.18 1wk0 s VAL 25 N -1.53 4.41 -0.23 -0.36 1.01 0.38 -4.65 120.40 119.44 1wk0 s VAL 25 Ca 0.63 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 62.21 1wk0 s VAL 25 Cb -0.29 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1wk0 s VAL 25 CO 0.35 0.48 0.70 0.00 0.00 0.00 0.00 175.10 176.63 1wk0 s ALA 26 N 0.33 3.59 0.32 5.51 0.00 -1.26 -1.75 121.76 128.50 1wk0 s ALA 26 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1wk0 s ALA 26 Cb -0.13 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1wk0 s ALA 26 CO 0.01 -0.75 0.14 -1.12 0.00 0.00 0.00 175.76 174.04 1wk0 s SER 27 N 1.33 1.75 -1.02 0.00 0.01 0.02 -4.82 113.70 110.97 1wk0 s SER 27 Ca 0.30 -1.54 -0.13 0.00 1.31 0.00 0.00 55.95 55.90 1wk0 s SER 27 Cb -0.16 0.33 0.13 0.00 0.21 0.00 0.00 66.02 66.54 1wk0 s SER 27 CO 0.09 -0.85 0.32 -0.67 0.41 0.00 0.00 173.24 172.55 1wk0 n ASP 28 N -0.91 -1.22 -4.72 2.44 2.03 -1.26 -1.20 116.55 111.71 1wk0 n ASP 28 Ca -0.00 -0.56 -0.43 0.00 0.52 0.00 0.00 54.79 54.32 1wk0 n ASP 28 Cb 0.65 -1.10 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 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 -2.86 0.46 -4.33 5.18 5.41 -1.26 -4.14 119.36 117.81 1wk0 n ILE 29 Ca 0.06 -0.11 -0.15 0.00 1.00 0.00 0.00 62.75 63.55 1wk0 n ILE 29 Cb 0.36 -1.89 -0.03 0.00 -0.71 0.00 0.00 39.64 37.36 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 3.08 1.19 0.00 0.38 3.00 0.25 -4.81 117.38 120.47 1wk0 n GLN 30 Ca 0.13 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1wk0 n GLN 30 Cb 0.35 0.63 0.00 0.00 0.00 0.00 0.00 30.24 31.22 1wk0 n GLN 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wk0 n ALA 31 N -2.16 0.00 -0.01 -1.58 0.00 -1.26 -3.67 120.51 111.82 1wk0 n ALA 31 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1wk0 n ALA 31 Cb 0.31 0.33 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.17 1.77 -3.53 0.00 1.74 -1.26 -3.85 116.66 109.35 1wk0 n ARG 32 Ca 0.00 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 1wk0 n ARG 32 Cb 0.00 -1.12 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.22 5.07 0.27 0.55 -4.23 -1.25 -3.93 115.64 109.90 1wk0 s THR 33 Ca -0.02 0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1wk0 s THR 33 Cb 0.02 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1wk0 s THR 33 CO 0.19 -0.08 0.51 0.68 -0.54 0.00 0.00 174.62 175.38 1wk0 s VAL 34 N -1.81 0.00 -0.39 2.29 -7.23 -1.20 0.88 120.40 112.95 1wk0 s VAL 34 Ca 0.43 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 1wk0 s VAL 34 Cb -0.11 -2.29 0.10 0.00 0.56 0.00 0.00 36.38 34.63 1wk0 s VAL 34 CO 0.25 0.00 0.17 -0.69 -0.31 0.00 0.00 175.10 174.52 1wk0 s VAL 35 N -3.78 3.22 -0.39 1.32 1.01 -0.34 -2.14 120.40 119.31 1wk0 s VAL 35 Ca 0.22 -1.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.09 1wk0 s VAL 35 Cb -0.01 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1wk0 s VAL 35 CO 0.10 -0.59 0.42 -0.22 0.00 0.00 0.00 175.10 174.81 1wk0 s LEU 36 N 1.15 4.66 -0.10 3.92 2.96 -0.23 -0.80 118.68 130.25 1wk0 s LEU 36 Ca 0.06 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1wk0 s LEU 36 Cb -0.22 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1wk0 s LEU 36 CO -0.04 -0.48 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.42 1wk0 s THR 37 N 2.12 2.46 0.07 3.68 2.01 -0.72 -1.63 115.64 123.63 1wk0 s THR 37 Ca 0.13 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1wk0 s THR 37 Cb -0.17 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1wk0 s THR 37 CO 0.13 0.55 -0.06 -1.66 -0.69 0.00 0.00 174.62 172.90 1wk0 s TRP 38 N 0.14 0.71 0.15 4.92 -2.14 -1.16 -0.47 118.94 121.08 1wk0 s TRP 38 Ca -0.10 -0.85 0.01 0.00 2.66 0.00 0.00 56.10 57.81 1wk0 s TRP 38 Cb -0.16 -0.44 -0.04 0.00 -3.10 0.00 0.00 33.47 29.74 1wk0 s TRP 38 CO 0.06 -0.20 0.31 0.45 -2.66 0.00 0.00 176.95 174.91 1wk0 s SER 39 N -2.62 6.37 0.74 -2.66 0.15 -1.26 -4.64 113.70 109.78 1wk0 s SER 39 Ca 0.04 0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.86 1wk0 s SER 39 Cb 0.02 -1.96 0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1wk0 s SER 39 CO -0.05 0.05 1.10 -2.16 1.20 0.00 0.00 173.24 173.38 1wk0 s PRO 40 N -3.08 2.41 0.71 5.44 0.04 -1.26 -3.77 135.00 135.49 1wk0 s PRO 40 Ca 0.36 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 1wk0 s PRO 40 Cb -0.11 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1wk0 s PRO 40 CO 0.28 -1.53 1.10 -1.25 0.04 0.00 0.00 177.00 175.64 1wk0 s PRO 41 N -4.67 2.56 -0.25 0.56 0.04 -1.26 -4.66 135.00 127.31 1wk0 s PRO 41 Ca 0.63 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 1wk0 s PRO 41 Cb -0.18 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1wk0 s PRO 41 CO 0.52 -1.43 0.18 -1.12 0.04 0.00 0.00 177.00 175.19 1wk0 s SER 42 N -2.94 6.10 0.16 6.66 0.01 -1.04 -4.92 113.70 117.73 1wk0 s SER 42 Ca 0.64 0.10 -0.31 0.00 1.31 0.00 0.00 55.95 57.69 1wk0 s SER 42 Cb -0.19 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 1wk0 s SER 42 CO 0.48 0.02 1.46 -0.94 0.41 0.00 0.00 173.24 174.67 1wk0 s SER 43 N 1.28 6.71 -0.24 2.44 1.04 -1.26 -4.76 113.70 118.91 1wk0 s SER 43 Ca 0.08 2.49 0.14 0.00 0.48 0.00 0.00 55.95 59.14 1wk0 s SER 43 Cb -0.14 -2.60 0.82 0.00 0.10 0.00 0.00 66.02 64.20 1wk0 s SER 43 CO 0.07 -0.71 1.75 0.18 0.98 0.00 0.00 173.24 175.50 1wk0 n LEU 44 N 3.59 5.75 0.00 2.42 4.77 -1.26 -4.42 117.00 127.85 1wk0 n LEU 44 Ca 0.11 -2.92 0.06 0.00 -0.03 0.00 0.00 56.01 53.23 1wk0 n LEU 44 Cb 0.41 -0.69 0.34 0.00 -2.33 0.00 0.00 43.42 41.14 1wk0 n LEU 44 CO 0.60 0.63 0.61 -0.38 -1.33 0.00 0.00 177.39 177.52 1wk0 n ILE 45 N 0.60 0.32 -1.76 -0.08 2.08 -1.26 -4.80 119.36 114.46 1wk0 n ILE 45 Ca 0.28 0.08 -0.08 0.00 0.56 0.00 0.00 62.75 63.59 1wk0 n ILE 45 Cb 1.21 -0.89 -0.02 0.00 -0.75 0.00 0.00 39.64 39.19 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 -1.13 -3.44 0.00 4.38 5.03 -1.26 -2.58 115.26 116.25 1wk0 n ASN 46 Ca 0.08 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1wk0 n ASN 46 Cb 0.07 -2.28 0.00 0.00 -1.02 0.00 0.00 39.78 36.55 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wk0 n GLY 47 N -1.42 1.85 0.32 7.41 0.00 -1.26 -4.81 105.19 107.27 1wk0 n GLY 47 Ca -0.09 0.00 0.20 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 1.66 0.00 -6.76 1.61 4.22 -1.90 -3.42 114.58 109.99 1wk0 h GLU 48 Ca 0.00 0.00 -0.48 0.00 0.08 0.00 0.00 59.36 58.96 1wk0 h GLU 48 Cb 0.00 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.28 1wk0 h GLU 48 CO 0.00 0.01 -0.03 -0.08 -2.18 0.00 0.00 179.01 176.73 1wk0 s THR 49 N -4.26 4.78 0.44 0.32 -1.32 -1.26 -5.10 115.64 109.24 1wk0 s THR 49 Ca -0.05 -0.15 -0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1wk0 s THR 49 Cb 0.13 -3.79 -0.02 0.00 -1.51 0.00 0.00 72.50 67.31 1wk0 s THR 49 CO 0.46 -0.65 0.68 1.51 -2.21 0.00 0.00 174.62 174.42 1wk0 s ASP 50 N -4.11 6.08 0.21 8.08 -4.77 -1.26 -4.98 116.67 115.93 1wk0 s ASP 50 Ca 0.45 0.56 0.24 0.00 -3.30 0.00 0.00 52.55 50.50 1wk0 s ASP 50 Cb -0.10 -1.92 0.91 0.00 -1.09 0.00 0.00 42.92 40.73 1wk0 s ASP 50 CO 0.41 -0.56 1.72 -0.62 0.70 0.00 0.00 175.17 176.82 1wk0 n GLU 51 N -2.08 0.19 -1.05 2.11 1.02 -1.26 -2.71 120.64 116.86 1wk0 n GLU 51 Ca -0.01 0.32 -0.15 0.00 -0.02 0.00 0.00 57.16 57.31 1wk0 n GLU 51 Cb 0.56 -1.81 0.19 0.00 -0.02 0.00 0.00 31.44 30.37 1wk0 n GLU 51 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wk0 n SER 52 N -2.15 3.27 0.00 1.62 7.64 -1.26 -4.43 113.62 118.30 1wk0 n SER 52 Ca 0.04 -3.66 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1wk0 n SER 52 Cb 0.29 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 -1.09 2.14 -4.69 6.43 7.64 -1.10 -5.02 113.62 117.92 1wk0 n SER 53 Ca 0.48 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.94 1wk0 n SER 53 Cb 1.40 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.57 1wk0 n SER 53 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wk0 s VAL 54 N -1.96 4.39 0.71 0.44 -7.23 -1.25 -5.02 120.40 110.48 1wk0 s VAL 54 Ca 0.00 1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 61.75 1wk0 s VAL 54 Cb 0.00 -4.10 0.03 0.00 0.56 0.00 0.00 36.38 32.87 1wk0 s VAL 54 CO 0.00 0.04 1.10 -2.16 -0.31 0.00 0.00 175.10 173.77 1wk0 s PRO 55 N 1.81 2.55 -0.05 4.82 0.04 -1.26 -4.98 135.00 137.93 1wk0 s PRO 55 Ca 0.54 1.29 0.08 0.00 0.04 0.00 0.00 61.00 62.95 1wk0 s PRO 55 Cb -0.24 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1wk0 s PRO 55 CO 0.23 -1.43 1.04 -0.85 0.04 0.00 0.00 177.00 176.03 1wk0 n GLU 56 N -2.91 2.06 -0.85 4.56 0.28 -1.26 -4.64 120.64 117.89 1wk0 n GLU 56 Ca 0.10 -1.88 0.07 0.00 -0.16 0.00 0.00 57.16 55.29 1wk0 n GLU 56 Cb 0.52 -1.17 0.39 0.00 1.43 0.00 0.00 31.44 32.62 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 -0.85 5.53 -4.49 -1.84 7.99 -1.26 -4.94 117.00 117.15 1wk0 n LEU 57 Ca 0.07 -2.93 -0.42 0.00 -0.01 0.00 0.00 56.01 52.72 1wk0 n LEU 57 Cb 0.44 -0.67 -0.13 0.00 -0.11 0.00 0.00 43.42 42.95 1wk0 n LEU 57 CO 0.00 0.64 2.15 -1.22 -1.51 0.00 0.00 177.39 177.46 1wk0 n TYR 58 N 0.52 0.76 -1.48 -1.77 4.01 -1.26 -4.69 117.16 113.25 1wk0 n TYR 58 Ca 0.27 0.36 -0.44 0.00 -0.16 0.00 0.00 57.90 57.94 1wk0 n TYR 58 Cb 1.16 -2.42 -0.09 0.00 -0.31 0.00 0.00 39.34 37.68 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 6.49 -0.01 3.60 2.72 0.00 -0.52 -4.63 105.19 112.85 1wk0 n GLY 59 Ca 0.60 0.95 -0.40 0.00 0.00 0.00 0.00 46.02 47.18 1wk0 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk0 s TYR 60 N 9.19 3.24 -0.13 1.61 2.02 0.99 -0.84 117.35 133.44 1wk0 s TYR 60 Ca 1.17 0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 58.28 1wk0 s TYR 60 Cb -0.87 -2.68 -0.03 0.00 -0.40 0.00 0.00 41.96 37.99 1wk0 s TYR 60 CO 0.44 -0.30 -0.06 -2.00 -1.57 0.00 0.00 175.55 172.06 1wk0 s GLU 61 N 2.20 3.44 -0.05 -0.62 2.12 0.25 -2.38 118.70 123.66 1wk0 s GLU 61 Ca 0.17 -0.55 -0.19 0.00 0.36 0.00 0.00 54.97 54.77 1wk0 s GLU 61 Cb -0.16 -2.80 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 1wk0 s GLU 61 CO 0.10 0.32 0.52 0.08 -0.54 0.00 0.00 175.26 175.75 1wk0 s VAL 62 N 0.12 5.04 -0.12 3.70 1.01 -0.56 -0.93 120.40 128.66 1wk0 s VAL 62 Ca -0.02 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1wk0 s VAL 62 Cb -0.14 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1wk0 s VAL 62 CO 0.03 0.40 -0.12 -0.76 0.00 0.00 0.00 175.10 174.66 1wk0 s LEU 63 N 0.01 1.50 0.16 3.92 1.43 0.39 -3.02 118.68 123.07 1wk0 s LEU 63 Ca 0.28 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1wk0 s LEU 63 Cb -0.17 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1wk0 s LEU 63 CO 0.14 -0.06 -0.13 0.27 0.23 0.00 0.00 176.35 176.80 1wk0 s ILE 64 N 1.40 1.44 -0.19 -0.59 -4.36 -1.11 -0.97 121.20 116.83 1wk0 s ILE 64 Ca 0.01 -1.98 -0.05 0.00 -0.26 0.00 0.00 60.65 58.38 1wk0 s ILE 64 Cb -0.13 -1.79 0.09 0.00 1.25 0.00 0.00 42.46 41.87 1wk0 s ILE 64 CO -0.07 -0.55 0.33 -0.55 0.24 0.00 0.00 174.94 174.34 1wk0 s SER 65 N -2.93 0.27 0.18 4.36 0.15 -1.23 -2.34 113.70 112.17 1wk0 s SER 65 Ca 0.16 0.52 0.10 0.00 0.70 0.00 0.00 55.95 57.43 1wk0 s SER 65 Cb -0.02 0.95 -0.11 0.00 -1.71 0.00 0.00 66.02 65.14 1wk0 s SER 65 CO 0.04 -0.26 1.33 0.77 1.20 0.00 0.00 173.24 176.31 1wk0 h SER 66 N 8.23 0.00 0.40 5.45 4.64 -1.90 -3.35 113.55 127.03 1wk0 h SER 66 Ca -0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1wk0 h SER 66 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wk0 h SER 66 CO 0.18 0.81 -0.19 0.74 -0.87 0.00 0.00 176.83 177.49 1wk0 h THR 67 N 0.00 0.58 -1.24 2.95 2.02 -1.94 -3.48 112.91 111.80 1wk0 h THR 67 Ca -0.01 -0.38 0.23 0.00 0.77 0.00 0.00 66.41 67.02 1wk0 h THR 67 Cb 1.63 0.76 -0.24 0.00 -1.74 0.00 0.00 68.15 68.56 1wk0 h THR 67 CO 0.10 0.07 0.86 -0.83 0.37 0.00 0.00 175.52 176.09 1wk0 s GLY 68 N -2.49 -0.10 0.46 2.16 0.00 -1.25 -5.01 107.32 101.08 1wk0 s GLY 68 Ca -0.15 2.27 0.18 0.00 0.00 0.00 0.00 44.72 47.01 1wk0 s GLY 68 CO 0.56 0.88 2.01 1.70 0.00 0.00 0.00 173.10 178.25 1wk0 h LYS 69 N 2.10 0.00 -1.38 2.90 3.64 -1.93 -2.66 116.57 119.24 1wk0 h LYS 69 Ca -0.09 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.59 1wk0 h LYS 69 Cb 1.17 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.70 1wk0 h LYS 69 CO 0.23 0.18 0.82 -0.40 -2.27 0.00 0.00 179.45 178.01 1wk0 n ASP 70 N -4.14 7.43 0.00 4.20 5.75 -1.26 -4.94 116.55 123.58 1wk0 n ASP 70 Ca -0.02 -3.80 0.00 0.00 -0.01 0.00 0.00 54.79 50.95 1wk0 n ASP 70 Cb 0.25 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 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 -0.75 5.51 3.79 6.12 0.00 -1.00 -5.15 105.19 113.71 1wk0 n GLY 71 Ca 0.58 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 1.36 3.33 0.06 1.61 2.20 -1.26 -5.00 119.74 122.04 1wk0 s LYS 72 Ca 0.00 1.34 0.07 0.00 -0.36 0.00 0.00 55.97 57.02 1wk0 s LYS 72 Cb 0.00 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.27 1wk0 s LYS 72 CO 0.00 -0.82 -0.18 0.71 -0.36 0.00 0.00 175.35 174.70 1wk0 s TYR 73 N -2.22 1.57 0.12 4.03 1.51 -1.26 -4.63 117.35 116.47 1wk0 s TYR 73 Ca 0.66 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 56.42 1wk0 s TYR 73 Cb -0.18 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1wk0 s TYR 73 CO 0.32 0.11 -0.22 0.21 -1.11 0.00 0.00 175.55 174.86 1wk0 s LYS 74 N -1.48 1.22 0.05 -0.62 2.20 -0.99 -4.95 119.74 115.17 1wk0 s LYS 74 Ca 0.04 -1.24 -0.23 0.00 -0.36 0.00 0.00 55.97 54.18 1wk0 s LYS 74 Cb -0.09 -1.54 -0.06 0.00 -1.51 0.00 0.00 37.83 34.63 1wk0 s LYS 74 CO 0.02 0.36 0.70 -1.54 -0.36 0.00 0.00 175.35 174.53 1wk0 s SER 75 N -2.02 7.14 -0.05 1.43 1.04 -1.26 -2.73 113.70 117.25 1wk0 s SER 75 Ca 0.09 1.36 0.01 0.00 0.48 0.00 0.00 55.95 57.90 1wk0 s SER 75 Cb -0.10 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1wk0 s SER 75 CO 0.05 0.09 -0.04 1.33 0.98 0.00 0.00 173.24 175.65 1wk0 n VAL 76 N 2.54 0.30 -3.80 5.02 0.24 -1.17 -5.03 118.33 116.43 1wk0 n VAL 76 Ca -0.05 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1wk0 n VAL 76 Cb 0.50 -0.73 -0.12 0.00 -1.47 0.00 0.00 33.84 32.03 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 -2.11 -0.23 -0.15 6.34 6.14 -1.26 -4.93 117.35 121.15 1wk0 s TYR 77 Ca -0.06 0.57 -0.04 0.00 0.64 0.00 0.00 57.07 58.17 1wk0 s TYR 77 Cb 0.02 0.08 0.06 0.00 0.42 0.00 0.00 41.96 42.53 1wk0 s TYR 77 CO 0.13 -0.12 0.09 0.08 0.64 0.00 0.00 175.55 176.38 1wk0 s VAL 78 N 0.09 -0.10 0.00 3.14 1.01 -1.26 -1.50 120.40 121.77 1wk0 s VAL 78 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1wk0 s VAL 78 Cb -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1wk0 s VAL 78 CO 0.00 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1wk0 n GLY 79 N 5.29 3.80 0.00 4.51 0.00 -1.00 -4.99 105.19 112.79 1wk0 n GLY 79 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 2.56 -1.67 1.61 4.71 -1.26 -0.00 120.64 126.58 1wk0 n GLU 80 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.70 1wk0 n GLU 80 Cb 0.00 -0.87 -0.04 0.00 -1.01 0.00 0.00 31.44 29.52 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 -1.47 2.48 -0.27 3.49 1.02 -1.26 -4.77 120.64 119.86 1wk0 n GLU 81 Ca 0.00 0.91 0.02 0.00 -0.02 0.00 0.00 57.16 58.07 1wk0 n GLU 81 Cb 0.27 -2.79 0.15 0.00 -0.02 0.00 0.00 31.44 29.04 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 5.32 0.92 -3.63 2.62 1.35 -1.94 -3.39 112.91 114.16 1wk0 h THR 82 Ca -0.49 -0.26 -0.64 0.00 -0.55 0.00 0.00 66.41 64.47 1wk0 h THR 82 Cb 1.25 0.10 -0.20 0.00 -1.73 0.00 0.00 68.15 67.57 1wk0 h THR 82 CO 0.94 0.14 -0.59 0.21 -0.25 0.00 0.00 175.52 175.97 1wk0 s ASN 83 N -5.60 5.40 0.12 5.36 3.04 -1.26 -2.99 114.94 119.00 1wk0 s ASN 83 Ca -0.13 -0.12 -0.02 0.00 0.04 0.00 0.00 52.86 52.64 1wk0 s ASN 83 Cb 0.18 -1.97 -0.04 0.00 -1.54 0.00 0.00 41.25 37.89 1wk0 s ASN 83 CO 0.77 0.00 0.06 0.27 -3.04 0.00 0.00 177.10 175.16 1wk0 s ILE 84 N 1.42 0.12 -0.14 -5.21 -5.25 -0.65 -5.02 121.20 106.47 1wk0 s ILE 84 Ca 0.06 -1.85 -0.02 0.00 -0.99 0.00 0.00 60.65 57.84 1wk0 s ILE 84 Cb -0.15 -1.93 -0.02 0.00 2.95 0.00 0.00 42.46 43.31 1wk0 s ILE 84 CO 0.05 -0.56 -0.06 -0.89 -1.79 0.00 0.00 174.94 171.69 1wk0 s THR 85 N -4.02 3.67 0.43 8.37 2.01 -1.26 -1.07 115.64 123.77 1wk0 s THR 85 Ca 0.20 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.59 1wk0 s THR 85 Cb 0.07 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.91 1wk0 s THR 85 CO -0.01 0.51 0.89 -0.76 -0.69 0.00 0.00 174.62 174.56 1wk0 s LEU 86 N 0.27 3.86 0.10 4.42 1.43 -0.91 -4.91 118.68 122.93 1wk0 s LEU 86 Ca -0.05 1.49 -0.10 0.00 -1.03 0.00 0.00 54.13 54.44 1wk0 s LEU 86 Cb -0.14 -4.36 0.01 0.00 0.03 0.00 0.00 46.19 41.72 1wk0 s LEU 86 CO 0.04 -0.40 0.24 0.20 0.23 0.00 0.00 176.35 176.66 1wk0 s ASN 87 N -2.60 0.03 -0.68 2.29 0.01 -1.26 -3.24 114.94 109.49 1wk0 s ASN 87 Ca 0.58 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1wk0 s ASN 87 Cb -0.10 0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.94 1wk0 s ASN 87 CO 0.22 -0.76 0.00 -0.67 -1.51 0.00 0.00 177.10 174.38 1wk0 n ASP 88 N -0.10 -2.93 -4.62 -1.22 2.03 -1.26 -5.03 116.55 103.42 1wk0 n ASP 88 Ca -0.15 0.01 -0.24 0.00 0.52 0.00 0.00 54.79 54.93 1wk0 n ASP 88 Cb 0.63 -2.16 0.12 0.00 -0.72 0.00 0.00 41.12 38.99 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wk0 s LEU 89 N -2.22 2.93 -0.23 -2.67 1.43 -1.25 -5.09 118.68 111.58 1wk0 s LEU 89 Ca 0.00 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1wk0 s LEU 89 Cb 0.00 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1wk0 s LEU 89 CO 0.00 -1.99 -0.04 -0.54 0.23 0.00 0.00 176.35 174.01 1wk0 s LYS 90 N -5.20 3.25 0.88 1.70 3.01 -1.26 -4.81 119.74 117.31 1wk0 s LYS 90 Ca 0.68 -0.71 -0.11 0.00 -1.01 0.00 0.00 55.97 54.82 1wk0 s LYS 90 Cb -0.04 -3.03 0.12 0.00 -1.01 0.00 0.00 37.83 33.87 1wk0 s LYS 90 CO 0.45 -0.25 1.09 -1.25 0.51 0.00 0.00 175.35 175.90 1wk0 s PRO 91 N 1.45 1.43 -1.47 -1.68 0.04 -1.25 -3.78 135.00 129.74 1wk0 s PRO 91 Ca 0.05 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 1wk0 s PRO 91 Cb -0.15 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1wk0 s PRO 91 CO -0.03 -2.14 0.85 0.00 0.04 0.00 0.00 177.00 175.71 1wk0 n ALA 92 N -3.82 -1.18 -2.28 8.56 0.00 -0.39 -4.90 120.51 116.49 1wk0 n ALA 92 Ca 0.07 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 1wk0 n ALA 92 Cb 0.55 -4.21 -0.09 0.00 0.00 0.00 0.00 19.45 15.70 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 -6.29 1.08 -0.05 0.00 -1.94 -1.24 -4.97 119.30 105.89 1wk0 s MET 93 Ca 0.54 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 1wk0 s MET 93 Cb -0.26 0.28 0.02 0.00 2.01 0.00 0.00 34.83 36.88 1wk0 s MET 93 CO 0.66 -0.34 -0.03 0.16 -0.01 0.00 0.00 175.02 175.46 1wk0 s ASP 94 N -3.08 1.16 0.14 3.03 1.47 -1.26 -1.24 116.67 116.89 1wk0 s ASP 94 Ca 0.28 -0.12 -0.10 0.00 1.18 0.00 0.00 52.55 53.79 1wk0 s ASP 94 Cb 0.06 -0.46 0.00 0.00 -0.34 0.00 0.00 42.92 42.19 1wk0 s ASP 94 CO 0.05 -0.09 0.29 -0.72 0.68 0.00 0.00 175.17 175.38 1wk0 s TYR 95 N 1.22 0.20 0.33 2.11 1.13 -1.25 -4.90 117.35 116.19 1wk0 s TYR 95 Ca -0.06 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1wk0 s TYR 95 Cb -0.14 0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 1wk0 s TYR 95 CO -0.02 -0.68 0.53 -1.01 -2.51 0.00 0.00 175.55 171.87 1wk0 s HIS 96 N -3.90 3.50 0.00 -3.49 3.76 -1.26 -2.09 115.29 111.81 1wk0 s HIS 96 Ca 0.11 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 1wk0 s HIS 96 Cb 0.03 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 1wk0 s HIS 96 CO -0.05 0.15 -0.02 0.00 -0.85 0.00 0.00 174.74 173.97 1wk0 s ALA 97 N -2.27 0.11 0.08 -1.40 0.00 -0.88 -3.50 121.76 113.90 1wk0 s ALA 97 Ca 0.40 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1wk0 s ALA 97 Cb -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1wk0 s ALA 97 CO 0.35 -0.01 -0.08 0.15 0.00 0.00 0.00 175.76 176.17 1wk0 s LYS 98 N -0.29 0.74 -0.16 0.00 1.02 -0.14 -1.39 119.74 119.51 1wk0 s LYS 98 Ca -0.02 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 54.90 1wk0 s LYS 98 Cb -0.02 -0.36 0.02 0.00 -0.52 0.00 0.00 37.83 36.95 1wk0 s LYS 98 CO -0.00 0.04 -0.17 0.54 -0.92 0.00 0.00 175.35 174.84 1wk0 s VAL 99 N -2.42 1.79 -0.14 3.17 0.11 -1.26 -0.46 120.40 121.21 1wk0 s VAL 99 Ca 0.02 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 58.25 1wk0 s VAL 99 Cb -0.03 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1wk0 s VAL 99 CO -0.01 0.50 0.02 -1.58 -3.33 0.00 0.00 175.10 170.69 1wk0 s GLN 100 N 1.38 3.52 -0.16 1.54 0.74 -0.10 -3.10 119.66 123.47 1wk0 s GLN 100 Ca 0.04 -0.39 -0.11 0.00 0.05 0.00 0.00 55.36 54.95 1wk0 s GLN 100 Cb -0.13 -2.99 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1wk0 s GLN 100 CO -0.11 0.45 0.19 0.00 -0.55 0.00 0.00 175.29 175.27 1wk0 s ALA 101 N -0.16 3.70 -0.04 1.58 0.00 -1.25 -0.59 121.76 125.00 1wk0 s ALA 101 Ca 0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1wk0 s ALA 101 Cb -0.12 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.81 1wk0 s ALA 101 CO 0.02 0.24 0.01 -2.00 0.00 0.00 0.00 175.76 174.03 1wk0 s GLU 102 N 0.06 0.25 -0.06 0.00 2.12 -0.02 -3.53 118.70 117.53 1wk0 s GLU 102 Ca 0.13 0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.57 1wk0 s GLU 102 Cb -0.12 -0.54 0.03 0.00 0.26 0.00 0.00 34.13 33.76 1wk0 s GLU 102 CO 0.02 -0.20 0.12 -0.47 -0.54 0.00 0.00 175.26 174.19 1wk0 s TYR 103 N 1.36 -0.13 -1.27 5.30 6.14 -1.14 -1.44 117.35 126.17 1wk0 s TYR 103 Ca -0.05 0.40 -0.00 0.00 0.64 0.00 0.00 57.07 58.06 1wk0 s TYR 103 Cb -0.13 -0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.17 1wk0 s TYR 103 CO -0.03 -0.14 0.01 -1.71 0.64 0.00 0.00 175.55 174.33 1wk0 n ASN 104 N 4.00 -4.51 -1.13 4.32 2.85 -1.26 -2.02 115.26 117.50 1wk0 n ASN 104 Ca -0.24 -0.02 -0.10 0.00 -0.11 0.00 0.00 54.58 54.10 1wk0 n ASN 104 Cb 0.53 -3.65 -0.01 0.00 1.24 0.00 0.00 39.78 37.88 1wk0 n ASN 104 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wk0 n SER 105 N -0.85 -3.57 -4.14 1.20 2.88 -1.26 -5.00 113.62 102.88 1wk0 n SER 105 Ca -0.17 0.03 -0.35 0.00 -1.33 0.00 0.00 58.87 57.05 1wk0 n SER 105 Cb 0.63 -2.71 -0.13 0.00 -0.75 0.00 0.00 64.21 61.25 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wk0 s ILE 106 N -2.50 2.91 -0.13 2.46 1.01 -0.86 -5.09 121.20 119.00 1wk0 s ILE 106 Ca 0.00 -1.66 -0.17 0.00 0.00 0.00 0.00 60.65 58.82 1wk0 s ILE 106 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1wk0 s ILE 106 CO 0.00 -0.29 0.42 -0.54 0.00 0.00 0.00 174.94 174.53 1wk0 s LYS 107 N 1.18 4.30 0.00 2.79 1.02 -1.26 -2.89 119.74 124.88 1wk0 s LYS 107 Ca -0.01 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1wk0 s LYS 107 Cb -0.20 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1wk0 s LYS 107 CO -0.03 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1wk0 n GLY 108 N 3.27 0.65 3.08 -3.33 0.00 -1.23 -4.98 105.19 102.64 1wk0 n GLY 108 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 3.44 1.18 0.22 2.61 2.01 -1.26 -5.02 115.64 118.83 1wk0 s THR 109 Ca 0.00 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1wk0 s THR 109 Cb 0.00 -1.03 -0.09 0.00 0.01 0.00 0.00 72.50 71.39 1wk0 s THR 109 CO 0.00 0.35 1.29 -2.16 -0.69 0.00 0.00 174.62 173.41 1wk0 s PRO 110 N 0.11 4.41 0.97 4.92 0.04 -1.26 -4.64 135.00 139.55 1wk0 s PRO 110 Ca -0.04 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 1wk0 s PRO 110 Cb -0.11 -3.18 0.25 0.00 0.04 0.00 0.00 34.50 31.50 1wk0 s PRO 110 CO 0.02 -0.20 0.56 -1.13 0.04 0.00 0.00 177.00 176.29 1wk0 n SER 111 N 2.30 -3.42 -3.39 6.66 3.41 -1.18 -4.94 113.62 113.06 1wk0 n SER 111 Ca 0.05 -0.57 -0.29 0.00 -0.26 0.00 0.00 58.87 57.80 1wk0 n SER 111 Cb 0.43 -0.66 0.28 0.00 -0.26 0.00 0.00 64.21 64.00 1wk0 n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wk0 n GLU 112 N -4.35 -4.40 -4.05 4.33 1.02 -1.26 -4.70 120.64 107.23 1wk0 n GLU 112 Ca 0.09 -1.30 -0.36 0.00 -0.02 0.00 0.00 57.16 55.57 1wk0 n GLU 112 Cb 0.39 -1.89 -0.08 0.00 -0.02 0.00 0.00 31.44 29.84 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wk0 s ALA 113 N -2.13 3.56 -0.35 0.62 0.00 -1.26 -4.48 121.76 117.71 1wk0 s ALA 113 Ca 0.64 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1wk0 s ALA 113 Cb -0.13 -1.82 0.10 0.00 0.00 0.00 0.00 23.12 21.27 1wk0 s ALA 113 CO 0.55 0.46 0.08 -2.00 0.00 0.00 0.00 175.76 174.84 1wk0 s GLU 114 N -0.50 1.75 0.17 0.00 2.56 -0.49 -4.83 118.70 117.37 1wk0 s GLU 114 Ca 0.11 -1.78 -0.30 0.00 0.00 0.00 0.00 54.97 53.00 1wk0 s GLU 114 Cb -0.12 -3.29 -0.07 0.00 2.00 0.00 0.00 34.13 32.65 1wk0 s GLU 114 CO 0.02 -0.93 1.01 -1.50 -0.56 0.00 0.00 175.26 173.30 1wk0 s ILE 115 N 1.01 4.12 -0.15 -3.70 2.07 -1.26 -2.08 121.20 121.22 1wk0 s ILE 115 Ca 0.08 1.89 -0.06 0.00 -1.41 0.00 0.00 60.65 61.14 1wk0 s ILE 115 Cb -0.20 -4.20 0.06 0.00 0.13 0.00 0.00 42.46 38.25 1wk0 s ILE 115 CO -0.06 0.35 0.32 0.72 -1.91 0.00 0.00 174.94 174.36 1wk0 s PHE 116 N -0.43 -0.52 -0.00 3.50 -0.12 -0.89 -4.97 117.98 114.55 1wk0 s PHE 116 Ca 0.46 1.11 -0.26 0.00 -0.05 0.00 0.00 56.93 58.19 1wk0 s PHE 116 Cb -0.27 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1wk0 s PHE 116 CO 0.33 -0.35 0.81 0.99 -0.05 0.00 0.00 175.22 176.95 1wk0 s THR 117 N 1.95 4.87 0.15 -4.49 2.01 -1.26 -3.79 115.64 115.08 1wk0 s THR 117 Ca -0.04 1.70 -0.03 0.00 0.31 0.00 0.00 61.69 63.63 1wk0 s THR 117 Cb -0.11 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1wk0 s THR 117 CO -0.10 0.27 0.36 0.42 -0.69 0.00 0.00 174.62 174.88 1wk0 s THR 118 N 0.52 5.21 0.98 -0.82 -4.23 -0.37 -4.96 115.64 111.96 1wk0 s THR 118 Ca 0.42 -0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.61 1wk0 s THR 118 Cb -0.20 -3.66 0.19 0.00 1.34 0.00 0.00 72.50 70.17 1wk0 s THR 118 CO 0.23 -0.03 1.23 -1.48 -0.54 0.00 0.00 174.62 174.03 1wk0 s LEU 119 N -2.88 2.18 0.25 4.79 2.34 -1.24 -1.99 118.68 122.13 1wk0 s LEU 119 Ca 0.39 0.54 -0.11 0.00 0.06 0.00 0.00 54.13 55.01 1wk0 s LEU 119 Cb -0.12 -2.64 -0.08 0.00 -0.56 0.00 0.00 46.19 42.80 1wk0 s LEU 119 CO 0.27 -2.84 0.59 -0.94 -1.06 0.00 0.00 176.35 172.37 1wk0 s SER 120 N -4.51 6.66 0.55 1.48 1.04 -1.26 -1.26 113.70 116.41 1wk0 s SER 120 Ca 0.70 1.01 0.46 0.00 0.48 0.00 0.00 55.95 58.59 1wk0 s SER 120 Cb -0.08 -2.26 1.57 0.00 0.10 0.00 0.00 66.02 65.35 1wk0 s SER 120 CO 0.53 -0.10 1.48 0.00 0.98 0.00 0.00 173.24 176.14 1wk0 s GLU 122 N -4.74 3.52 -0.98 0.00 0.41 -1.26 -4.99 118.70 110.66 1wk0 s GLU 122 Ca -0.04 -0.32 -0.24 0.00 -0.41 0.00 0.00 54.97 53.96 1wk0 s GLU 122 Cb 0.24 -2.77 -0.06 0.00 -1.78 0.00 0.00 34.13 29.76 1wk0 s GLU 122 CO 0.81 0.32 1.94 -1.25 -0.49 0.00 0.00 175.26 176.59 1wk0 s PRO 123 N -3.63 2.54 -0.13 0.39 0.04 -1.26 -4.62 135.00 128.33 1wk0 s PRO 123 Ca 0.39 -0.53 -0.09 0.00 0.04 0.00 0.00 61.00 60.81 1wk0 s PRO 123 Cb -0.10 -5.11 -0.06 0.00 0.04 0.00 0.00 34.50 29.27 1wk0 s PRO 123 CO 0.31 -3.55 -0.21 -0.40 0.04 0.00 0.00 177.00 173.19 1wk0 n ASP 124 N 14.10 1.33 -4.66 6.66 5.75 -1.26 -4.97 116.55 133.49 1wk0 n ASP 124 Ca 0.41 0.22 -0.44 0.00 -0.01 0.00 0.00 54.79 54.97 1wk0 n ASP 124 Cb 0.47 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1wk0 n ILE 125 N -3.86 0.70 0.00 2.12 2.08 -1.26 -4.90 119.36 114.24 1wk0 n ILE 125 Ca -0.23 -0.14 -0.13 0.00 0.56 0.00 0.00 62.75 62.81 1wk0 n ILE 125 Cb 0.56 -2.19 -0.10 0.00 -0.75 0.00 0.00 39.64 37.17 1wk0 n ILE 125 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1wk0 h PRO 126 N 10.35 -0.04 -4.00 0.38 0.13 -2.01 -3.46 132.00 133.36 1wk0 h PRO 126 Ca -0.49 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.37 1wk0 h PRO 126 Cb 1.25 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 1wk0 h PRO 126 CO 0.94 0.44 -0.74 1.21 -0.23 0.00 0.00 178.00 179.62 1wk0 s ASN 127 N -5.64 0.29 0.64 1.44 2.47 -1.26 -5.15 114.94 107.73 1wk0 s ASN 127 Ca -0.16 -0.04 -0.16 0.00 0.42 0.00 0.00 52.86 52.92 1wk0 s ASN 127 Cb 0.02 -0.03 -0.01 0.00 -1.45 0.00 0.00 41.25 39.77 1wk0 s ASN 127 CO 0.65 0.03 1.11 -2.16 -3.72 0.00 0.00 177.10 173.02 1wk0 s PRO 128 N -0.05 2.87 0.27 0.43 0.04 -1.26 -4.99 135.00 132.30 1wk0 s PRO 128 Ca 0.01 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1wk0 s PRO 128 Cb -0.01 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1wk0 s PRO 128 CO -0.00 -1.20 1.25 -1.25 0.04 0.00 0.00 177.00 175.84 1wk0 s PRO 129 N -3.99 4.44 0.23 0.56 0.04 -1.26 -5.05 135.00 129.97 1wk0 s PRO 129 Ca 0.68 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.86 1wk0 s PRO 129 Cb -0.21 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1wk0 s PRO 129 CO 0.40 -0.11 -0.17 -0.98 0.04 0.00 0.00 177.00 176.17 1wk0 s ARG 130 N -1.10 1.45 0.55 4.56 1.70 -1.26 -4.71 118.95 120.15 1wk0 s ARG 130 Ca 0.51 -1.63 -0.22 0.00 -0.47 0.00 0.00 55.73 53.92 1wk0 s ARG 130 Cb -0.37 -1.41 -0.05 0.00 -0.57 0.00 0.00 34.95 32.56 1wk0 s ARG 130 CO 0.45 0.26 1.37 0.96 -1.08 0.00 0.00 175.30 177.26 1wk0 s ILE 131 N -2.63 2.00 0.03 4.99 -5.25 -1.26 -5.02 121.20 114.07 1wk0 s ILE 131 Ca 0.24 0.00 0.08 0.00 -0.99 0.00 0.00 60.65 59.98 1wk0 s ILE 131 Cb -0.03 -3.00 -0.03 0.00 2.95 0.00 0.00 42.46 42.35 1wk0 s ILE 131 CO 0.10 -0.00 -0.22 -0.55 -1.79 0.00 0.00 174.94 172.47 1wk0 s SER 132 N -0.92 3.46 0.15 4.36 0.15 -1.26 -5.14 113.70 114.50 1wk0 s SER 132 Ca 0.72 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 1wk0 s SER 132 Cb -0.41 -0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 63.40 1wk0 s SER 132 CO 0.49 0.27 0.34 -0.83 1.20 0.00 0.00 173.24 174.71 1wk0 s GLY 133 N -1.24 2.06 -0.01 9.45 0.00 -1.26 -5.06 107.32 111.26 1wk0 s GLY 133 Ca 0.13 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 1wk0 s GLY 133 CO 0.03 -0.67 1.46 2.56 0.00 0.00 0.00 173.10 176.47 1wk0 s PRO 134 N -2.88 4.25 0.44 2.90 0.04 -1.26 -4.99 135.00 133.52 1wk0 s PRO 134 Ca 0.39 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 63.20 1wk0 s PRO 134 Cb -0.12 -3.65 -0.08 0.00 0.04 0.00 0.00 34.50 30.70 1wk0 s PRO 134 CO 0.27 -0.64 1.26 0.45 0.04 0.00 0.00 177.00 178.37 1wk0 s SER 135 N 2.16 6.11 -0.19 6.66 0.15 -1.26 -5.04 113.70 122.29 1wk0 s SER 135 Ca 0.66 2.54 -0.16 0.00 0.70 0.00 0.00 55.95 59.68 1wk0 s SER 135 Cb -0.32 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.42 1wk0 s SER 135 CO 0.27 -0.97 0.51 -0.94 1.20 0.00 0.00 173.24 173.30 1wk0 s SER 136 N -1.00 -0.55 0.00 5.45 1.04 -1.26 -5.35 113.70 112.02 1wk0 s SER 136 Ca 0.61 1.04 0.00 0.00 0.48 0.00 0.00 55.95 58.08 1wk0 s SER 136 Cb -0.35 1.02 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1wk0 s SER 136 CO 0.43 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.08