#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrz s SER 2 N 0.00 -0.65 0.24 1.61 0.01 -1.26 -5.14 113.70 108.51 2yrz s SER 2 Ca 0.00 1.21 -0.30 0.00 1.31 0.00 0.00 55.95 58.17 2yrz s SER 2 Cb 0.00 1.22 -0.10 0.00 0.21 0.00 0.00 66.02 67.35 2yrz s SER 2 CO 0.00 -0.24 1.51 -0.55 0.41 0.00 0.00 173.24 174.36 2yrz s SER 3 N 0.21 6.57 0.00 2.44 0.15 -1.26 -4.77 113.70 117.05 2yrz s SER 3 Ca -0.01 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.36 2yrz s SER 3 Cb -0.04 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2yrz s SER 3 CO 0.01 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2yrz n GLY 4 N 2.61 1.47 3.59 9.45 0.00 -1.26 -4.99 105.19 116.05 2yrz n GLY 4 Ca 0.09 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2yrz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrz n SER 5 N -0.15 1.00 -3.81 1.61 2.88 -1.26 -5.00 113.62 108.88 2yrz n SER 5 Ca 0.00 1.05 -0.20 0.00 -1.33 0.00 0.00 58.87 58.39 2yrz n SER 5 Cb 0.00 -1.31 -0.17 0.00 -0.75 0.00 0.00 64.21 61.98 2yrz n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yrz s SER 6 N -0.73 1.05 0.00 -3.46 1.04 -1.26 -5.11 113.70 105.23 2yrz s SER 6 Ca 0.62 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2yrz s SER 6 Cb -0.59 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.17 2yrz s SER 6 CO 0.58 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.27 2yrz n GLY 7 N 4.57 3.45 3.38 7.32 0.00 -1.26 -5.06 105.19 117.59 2yrz n GLY 7 Ca -0.17 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 2yrz n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yrz s SER 8 N 1.00 6.68 -0.61 1.61 0.15 -1.26 -4.96 113.70 116.31 2yrz s SER 8 Ca 0.00 -2.39 0.02 0.00 0.70 0.00 0.00 55.95 54.28 2yrz s SER 8 Cb 0.00 -2.29 0.15 0.00 -1.71 0.00 0.00 66.02 62.18 2yrz s SER 8 CO 0.00 -0.78 0.39 -2.28 1.20 0.00 0.00 173.24 171.77 2yrz s HIS 9 N 1.23 3.37 -0.39 3.44 5.65 -1.26 -5.05 115.29 122.28 2yrz s HIS 9 Ca 0.23 -3.09 -0.09 0.00 0.25 0.00 0.00 55.06 52.36 2yrz s HIS 9 Cb -0.09 -2.93 0.06 0.00 -1.18 0.00 0.00 32.58 28.44 2yrz s HIS 9 CO -0.08 -0.73 0.22 0.16 -0.65 0.00 0.00 174.74 173.66 2yrz s ASP 10 N -0.28 5.63 -0.03 9.88 -4.77 -1.26 -4.87 116.67 120.97 2yrz s ASP 10 Ca 0.19 -1.29 0.00 0.00 -3.30 0.00 0.00 52.55 48.15 2yrz s ASP 10 Cb -0.19 -1.98 -0.02 0.00 -1.09 0.00 0.00 42.92 39.64 2yrz s ASP 10 CO -0.05 -0.46 -0.02 -0.24 0.70 0.00 0.00 175.17 175.09 2yrz n SER 11 N 4.93 3.50 -4.26 2.11 2.88 -1.26 -4.85 113.62 116.68 2yrz n SER 11 Ca -0.11 -0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 56.99 2yrz n SER 11 Cb 0.44 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2yrz n SER 11 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2yrz n ARG 12 N -2.62 3.46 -3.17 -1.46 0.00 -1.26 -4.98 116.66 106.63 2yrz n ARG 12 Ca -0.05 -3.75 -0.41 0.00 -0.00 0.00 0.00 57.85 53.65 2yrz n ARG 12 Cb 0.55 -3.00 -0.07 0.00 0.00 0.00 0.00 32.46 29.94 2yrz n ARG 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2yrz s LEU 13 N 0.94 4.12 0.01 6.15 1.02 -1.26 -5.01 118.68 124.64 2yrz s LEU 13 Ca 0.42 0.46 -0.35 0.00 0.02 0.00 0.00 54.13 54.67 2yrz s LEU 13 Cb 0.01 -2.74 -0.14 0.00 0.02 0.00 0.00 46.19 43.35 2yrz s LEU 13 CO 0.00 -0.39 1.68 0.35 0.02 0.00 0.00 176.35 178.01 2yrz n THR 14 N 5.28 0.25 0.00 5.49 -2.24 -1.26 -4.83 114.28 116.97 2yrz n THR 14 Ca -0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2yrz n THR 14 Cb 0.49 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 2yrz n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yrz n ALA 15 N 4.72 1.84 -0.62 6.98 0.00 -1.26 -4.75 120.51 127.43 2yrz n ALA 15 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 2yrz n ALA 15 Cb 0.26 0.25 0.06 0.00 0.00 0.00 0.00 19.45 20.01 2yrz n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrz n GLY 16 N 2.62 3.84 3.89 0.00 0.00 -1.26 -4.77 105.19 109.51 2yrz n GLY 16 Ca 0.00 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2yrz n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yrz s VAL 17 N -2.13 5.36 -0.21 1.61 -7.23 -1.26 -4.04 120.40 112.50 2yrz s VAL 17 Ca 0.31 -0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 60.02 2yrz s VAL 17 Cb 0.25 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 2yrz s VAL 17 CO 0.02 0.34 1.60 -2.16 -0.31 0.00 0.00 175.10 174.59 2yrz s PRO 18 N -1.89 3.82 1.09 4.82 0.04 -1.26 -4.70 135.00 136.93 2yrz s PRO 18 Ca 0.26 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 2yrz s PRO 18 Cb -0.13 -4.02 0.17 0.00 0.04 0.00 0.00 34.50 30.56 2yrz s PRO 18 CO 0.18 -1.26 0.24 -3.47 0.04 0.00 0.00 177.00 172.73 2yrz n ASP 19 N 8.34 -2.90 -4.72 6.66 2.03 -0.36 -3.38 116.55 122.21 2yrz n ASP 19 Ca 0.19 -0.35 -0.42 0.00 0.52 0.00 0.00 54.79 54.73 2yrz n ASP 19 Cb 0.45 -0.85 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 2yrz n ASP 19 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yrz s THR 20 N -2.13 2.75 0.51 5.18 2.01 -1.26 -4.47 115.64 118.22 2yrz s THR 20 Ca 0.46 0.56 -0.21 0.00 0.31 0.00 0.00 61.69 62.81 2yrz s THR 20 Cb -0.08 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.00 2yrz s THR 20 CO 0.47 0.05 1.14 -2.16 -0.69 0.00 0.00 174.62 173.44 2yrz s PRO 21 N 0.76 3.52 1.13 4.92 0.04 -1.26 -4.80 135.00 139.30 2yrz s PRO 21 Ca 0.66 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 63.22 2yrz s PRO 21 Cb -0.42 -2.16 0.25 0.00 0.04 0.00 0.00 34.50 32.21 2yrz s PRO 21 CO 0.34 -0.73 1.08 0.99 0.04 0.00 0.00 177.00 178.72 2yrz s THR 22 N -1.69 1.81 1.01 1.26 2.01 -1.26 -4.49 115.64 114.30 2yrz s THR 22 Ca 0.69 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.49 2yrz s THR 22 Cb -0.26 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 2yrz s THR 22 CO 0.30 0.00 -0.57 0.54 -0.69 0.00 0.00 174.62 174.20 2yrz n ARG 23 N -4.60 -0.98 -4.38 4.92 1.74 -1.26 -4.48 116.66 107.62 2yrz n ARG 23 Ca 0.08 -0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 56.64 2yrz n ARG 23 Cb 0.58 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.59 2yrz n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2yrz s LEU 24 N 3.20 2.91 -0.22 0.55 1.43 -1.26 -4.31 118.68 120.98 2yrz s LEU 24 Ca 0.41 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2yrz s LEU 24 Cb -0.01 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.84 2yrz s LEU 24 CO 0.56 0.01 -0.09 -0.69 0.23 0.00 0.00 176.35 176.38 2yrz s VAL 25 N -2.42 1.72 -0.05 -1.59 1.01 0.13 -4.87 120.40 114.33 2yrz s VAL 25 Ca 0.31 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2yrz s VAL 25 Cb -0.06 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2yrz s VAL 25 CO 0.18 0.03 0.35 -0.36 0.00 0.00 0.00 175.10 175.30 2yrz s PHE 26 N 1.33 3.65 -0.23 5.22 0.40 -1.24 -1.18 117.98 125.93 2yrz s PHE 26 Ca -0.04 0.85 -0.02 0.00 -0.60 0.00 0.00 56.93 57.12 2yrz s PHE 26 Cb -0.18 -2.26 -0.19 0.00 0.51 0.00 0.00 43.02 40.91 2yrz s PHE 26 CO -0.07 0.57 -0.10 0.45 0.70 0.00 0.00 175.22 176.77 2yrz n SER 27 N 2.23 2.01 -3.10 1.36 2.88 -0.64 -4.90 113.62 113.46 2yrz n SER 27 Ca -0.14 -0.02 -0.14 0.00 -1.33 0.00 0.00 58.87 57.24 2yrz n SER 27 Cb 0.53 -0.55 0.07 0.00 -0.75 0.00 0.00 64.21 63.51 2yrz n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yrz n ALA 28 N -3.28 -1.87 -0.32 -1.46 0.00 -1.26 -4.83 120.51 107.49 2yrz n ALA 28 Ca -0.43 -0.01 0.35 0.00 0.00 0.00 0.00 53.44 53.35 2yrz n ALA 28 Cb 0.99 -2.84 0.69 0.00 0.00 0.00 0.00 19.45 18.29 2yrz n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yrz h LEU 29 N -1.50 0.00 0.00 0.00 -0.00 -1.84 -3.44 115.31 108.53 2yrz h LEU 29 Ca -0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 2yrz h LEU 29 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2yrz h LEU 29 CO 0.42 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.47 2yrz n GLY 30 N -1.75 1.40 0.19 0.83 0.00 -1.09 -4.94 105.19 99.83 2yrz n GLY 30 Ca 0.27 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.44 2yrz n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrz h PRO 31 N 0.00 0.00 0.00 1.61 0.13 -1.95 -3.13 132.00 128.67 2yrz h PRO 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2yrz h PRO 31 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yrz h PRO 31 CO 0.00 0.39 -0.01 0.25 -0.23 0.00 0.00 178.00 178.40 2yrz n THR 32 N -3.79 1.70 -4.06 1.56 -2.24 -1.26 -4.34 114.28 101.84 2yrz n THR 32 Ca -0.01 -2.01 -0.13 0.00 -2.27 0.00 0.00 64.05 59.63 2yrz n THR 32 Cb 0.46 -0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.47 2yrz n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yrz s SER 33 N -2.52 0.65 0.20 3.42 1.04 -1.18 -1.58 113.70 113.72 2yrz s SER 33 Ca 0.26 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 2yrz s SER 33 Cb 0.23 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2yrz s SER 33 CO 0.02 -0.13 0.50 -0.76 0.98 0.00 0.00 173.24 173.85 2yrz s LEU 34 N -1.07 0.18 -0.24 2.42 1.43 0.44 -2.68 118.68 119.16 2yrz s LEU 34 Ca -0.07 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2yrz s LEU 34 Cb -0.07 2.04 0.10 0.00 0.03 0.00 0.00 46.19 48.28 2yrz s LEU 34 CO 0.00 -1.05 0.18 -0.60 0.23 0.00 0.00 176.35 175.11 2yrz s ARG 35 N -3.89 0.19 -0.05 1.70 3.52 -1.26 0.81 118.95 119.96 2yrz s ARG 35 Ca 0.11 -0.14 -0.17 0.00 -0.13 0.00 0.00 55.73 55.39 2yrz s ARG 35 Cb -0.01 -1.21 -0.05 0.00 -1.56 0.00 0.00 34.95 32.12 2yrz s ARG 35 CO -0.02 -0.84 0.47 0.08 -0.81 0.00 0.00 175.30 174.18 2yrz s VAL 36 N 2.23 5.06 -0.05 7.11 1.01 0.14 -1.62 120.40 134.28 2yrz s VAL 36 Ca 0.07 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2yrz s VAL 36 Cb -0.15 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2yrz s VAL 36 CO -0.23 0.44 -0.02 -0.55 0.00 0.00 0.00 175.10 174.74 2yrz s SER 37 N -0.19 1.05 0.31 3.32 0.15 -0.33 -0.24 113.70 117.77 2yrz s SER 37 Ca 0.26 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2yrz s SER 37 Cb -0.16 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2yrz s SER 37 CO 0.13 -0.10 0.01 -2.67 1.20 0.00 0.00 173.24 171.81 2yrz n TRP 38 N 4.37 0.64 -4.15 3.44 2.14 0.89 0.22 117.44 124.99 2yrz n TRP 38 Ca -0.20 -1.51 -0.24 0.00 2.07 0.00 0.00 57.50 57.62 2yrz n TRP 38 Cb 0.50 -0.21 -0.07 0.00 -0.81 0.00 0.00 31.31 30.73 2yrz n TRP 38 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 2yrz s GLN 39 N -3.12 2.25 -0.48 -2.67 1.11 -1.26 -4.75 119.66 110.74 2yrz s GLN 39 Ca 0.01 -1.73 -0.23 0.00 0.01 0.00 0.00 55.36 53.42 2yrz s GLN 39 Cb -0.00 -2.04 0.03 0.00 -1.01 0.00 0.00 33.01 29.99 2yrz s GLN 39 CO 0.00 0.00 0.81 -2.00 0.01 0.00 0.00 175.29 174.11 2yrz s GLU 40 N -3.85 3.37 1.09 2.91 -6.30 -1.26 -4.43 118.70 110.22 2yrz s GLU 40 Ca 0.39 -0.20 -0.15 0.00 -2.50 0.00 0.00 54.97 52.51 2yrz s GLU 40 Cb 0.01 -3.98 0.23 0.00 0.00 0.00 0.00 34.13 30.40 2yrz s GLU 40 CO 0.22 -1.20 1.10 -1.25 0.02 0.00 0.00 175.26 174.15 2yrz s PRO 41 N 3.38 -0.28 0.01 4.30 0.04 -1.26 -4.98 135.00 136.21 2yrz s PRO 41 Ca 0.29 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 2yrz s PRO 41 Cb -0.13 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2yrz s PRO 41 CO 0.21 -3.15 1.13 -0.98 0.04 0.00 0.00 177.00 174.25 2yrz s ARG 42 N -5.13 4.45 -0.19 4.56 1.70 -1.26 -4.82 118.95 118.26 2yrz s ARG 42 Ca 0.68 1.64 -0.05 0.00 -0.47 0.00 0.00 55.73 57.53 2yrz s ARG 42 Cb -0.15 -3.44 0.09 0.00 -0.57 0.00 0.00 34.95 30.88 2yrz s ARG 42 CO 0.57 -0.25 0.32 0.00 -1.08 0.00 0.00 175.30 174.86 2yrz h GLU 44 N 8.24 0.00 -6.35 0.00 4.81 -1.84 -3.42 114.58 116.02 2yrz h GLU 44 Ca -0.16 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.46 2yrz h GLU 44 Cb 1.13 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.38 2yrz h GLU 44 CO 0.19 0.00 -0.70 1.03 -0.73 0.00 0.00 179.01 178.80 2yrz s ARG 45 N -4.51 2.11 0.00 1.92 1.81 -1.26 -5.09 118.95 113.92 2yrz s ARG 45 Ca -0.05 -1.35 -0.30 0.00 -1.72 0.00 0.00 55.73 52.31 2yrz s ARG 45 Cb 0.14 -2.13 -0.06 0.00 -0.45 0.00 0.00 34.95 32.45 2yrz s ARG 45 CO 0.50 0.41 1.45 -1.25 -0.68 0.00 0.00 175.30 175.73 2yrz s PRO 46 N -3.13 4.26 0.72 3.54 0.04 -1.26 -4.86 135.00 134.30 2yrz s PRO 46 Ca 0.27 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.19 2yrz s PRO 46 Cb -0.08 -3.61 0.04 0.00 0.04 0.00 0.00 34.50 30.89 2yrz s PRO 46 CO 0.17 -0.62 1.15 -0.51 0.04 0.00 0.00 177.00 177.22 2yrz s LEU 47 N 2.57 3.27 -0.03 -3.56 1.43 -1.26 -4.18 118.68 116.91 2yrz s LEU 47 Ca 0.66 2.13 0.13 0.00 -1.03 0.00 0.00 54.13 56.01 2yrz s LEU 47 Cb -0.32 -4.56 -0.20 0.00 0.03 0.00 0.00 46.19 41.13 2yrz s LEU 47 CO 0.27 -2.05 0.26 0.00 0.23 0.00 0.00 176.35 175.06 2yrz n GLN 48 N -2.84 0.59 0.00 1.70 6.02 -1.01 -4.77 117.38 117.08 2yrz n GLN 48 Ca 0.11 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2yrz n GLN 48 Cb 0.51 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.46 2yrz n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yrz n GLY 49 N 1.80 0.94 3.54 1.08 0.00 -1.26 -3.85 105.19 107.45 2yrz n GLY 49 Ca -0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2yrz n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yrz s TYR 50 N -0.28 -0.19 -0.05 1.61 2.02 -1.02 -3.85 117.35 115.60 2yrz s TYR 50 Ca 0.00 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 2yrz s TYR 50 Cb 0.00 0.45 0.02 0.00 -0.40 0.00 0.00 41.96 42.03 2yrz s TYR 50 CO 0.00 -0.94 -0.06 -1.54 -1.57 0.00 0.00 175.55 171.44 2yrz s SER 51 N -2.86 1.09 -0.37 2.29 1.04 0.76 -0.59 113.70 115.06 2yrz s SER 51 Ca 0.08 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.36 2yrz s SER 51 Cb -0.02 -0.51 0.12 0.00 0.10 0.00 0.00 66.02 65.71 2yrz s SER 51 CO -0.03 -0.04 0.16 -0.69 0.98 0.00 0.00 173.24 173.62 2yrz s VAL 52 N 0.87 1.24 -0.18 5.02 1.01 0.18 0.15 120.40 128.70 2yrz s VAL 52 Ca -0.12 -2.01 -0.08 0.00 0.00 0.00 0.00 61.98 59.77 2yrz s VAL 52 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2yrz s VAL 52 CO 0.01 -0.77 0.11 -1.61 0.00 0.00 0.00 175.10 172.83 2yrz s GLU 53 N 0.97 3.95 0.04 2.72 2.02 -0.78 -1.62 118.70 126.00 2yrz s GLU 53 Ca 0.14 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 54.90 2yrz s GLU 53 Cb -0.21 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2yrz s GLU 53 CO -0.12 0.39 -0.07 1.52 0.02 0.00 0.00 175.26 177.00 2yrz s TYR 54 N 0.07 0.62 -0.07 1.61 -0.85 -0.81 -0.01 117.35 117.90 2yrz s TYR 54 Ca 0.08 -0.50 -0.30 0.00 -0.52 0.00 0.00 57.07 55.82 2yrz s TYR 54 Cb -0.12 -0.37 0.09 0.00 0.38 0.00 0.00 41.96 41.94 2yrz s TYR 54 CO -0.00 -0.10 0.77 1.14 -1.52 0.00 0.00 175.55 175.84 2yrz s GLN 55 N -1.56 0.93 -0.42 -3.49 -2.07 -1.20 -0.84 119.66 111.01 2yrz s GLN 55 Ca -0.11 0.19 -0.39 0.00 -1.82 0.00 0.00 55.36 53.24 2yrz s GLN 55 Cb -0.10 0.44 -0.17 0.00 -1.09 0.00 0.00 33.01 32.09 2yrz s GLN 55 CO 0.00 -0.30 1.43 1.28 -1.32 0.00 0.00 175.29 176.38 2yrz n LEU 56 N 0.80 0.95 -0.29 2.60 4.77 -1.25 -1.65 117.00 122.92 2yrz n LEU 56 Ca -0.16 0.92 -0.08 0.00 -0.03 0.00 0.00 56.01 56.66 2yrz n LEU 56 Cb 0.58 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 2yrz n LEU 56 CO 0.21 -0.70 0.34 -0.11 -1.33 0.00 0.00 177.39 175.81 2yrz n LEU 57 N 3.90 -0.74 -0.12 2.23 0.00 0.22 0.75 117.00 123.23 2yrz n LEU 57 Ca 0.30 1.25 -0.09 0.00 0.00 0.00 0.00 56.01 57.47 2yrz n LEU 57 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 43.42 43.20 2yrz n LEU 57 CO 0.75 -1.02 0.94 -0.55 0.00 0.00 0.00 177.39 177.52 2yrz h ASN 58 N 0.00 0.49 0.00 1.96 7.08 -1.86 -3.46 115.58 119.80 2yrz h ASN 58 Ca 0.11 -0.13 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2yrz h ASN 58 Cb 0.29 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.40 2yrz h ASN 58 CO -0.65 0.49 0.00 0.61 -2.08 0.00 0.00 177.43 175.79 2yrz n GLY 59 N -0.85 4.52 0.00 9.14 0.00 0.23 -5.17 105.19 113.06 2yrz n GLY 59 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2yrz n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yrz n GLY 60 N -1.23 -0.92 3.66 -0.02 0.00 -1.26 -4.80 105.19 100.62 2yrz n GLY 60 Ca 0.00 0.71 -0.35 0.00 0.00 0.00 0.00 46.02 46.38 2yrz n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yrz s GLU 61 N 0.00 4.05 -0.22 1.61 2.12 -1.26 -4.93 118.70 120.08 2yrz s GLU 61 Ca 0.00 -0.29 -0.10 0.00 0.36 0.00 0.00 54.97 54.94 2yrz s GLU 61 Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2yrz s GLU 61 CO 0.00 0.21 0.13 -1.17 -0.54 0.00 0.00 175.26 173.90 2yrz s LEU 62 N 0.57 4.09 -0.22 2.70 1.98 -1.26 -3.94 118.68 122.60 2yrz s LEU 62 Ca 0.06 0.15 -0.02 0.00 -2.89 0.00 0.00 54.13 51.42 2yrz s LEU 62 Cb -0.12 -2.07 0.01 0.00 0.66 0.00 0.00 46.19 44.66 2yrz s LEU 62 CO 0.01 0.12 -0.08 -1.00 -1.89 0.00 0.00 176.35 173.51 2yrz s HIS 63 N 0.70 2.95 -0.26 5.38 3.76 -0.02 -4.98 115.29 122.81 2yrz s HIS 63 Ca 0.07 -1.23 -0.14 0.00 -0.15 0.00 0.00 55.06 53.61 2yrz s HIS 63 Cb -0.12 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 2yrz s HIS 63 CO 0.01 -0.64 0.34 0.50 -0.85 0.00 0.00 174.74 174.09 2yrz s ARG 64 N 1.41 4.03 -0.21 1.40 3.52 -1.26 -1.93 118.95 125.90 2yrz s ARG 64 Ca 0.04 -0.01 -0.05 0.00 -0.13 0.00 0.00 55.73 55.59 2yrz s ARG 64 Cb -0.15 -3.64 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2yrz s ARG 64 CO -0.06 -0.22 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.70 2yrz s LEU 65 N 1.88 3.11 -0.07 -0.88 1.43 -0.64 -4.99 118.68 118.53 2yrz s LEU 65 Ca 0.14 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2yrz s LEU 65 Cb -0.16 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2yrz s LEU 65 CO 0.10 0.01 0.17 0.20 0.23 0.00 0.00 176.35 177.06 2yrz s ASN 66 N 1.29 6.39 -0.36 2.29 0.01 -1.26 -0.64 114.94 122.65 2yrz s ASN 66 Ca 0.04 0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 52.59 2yrz s ASN 66 Cb -0.15 -2.04 0.09 0.00 0.41 0.00 0.00 41.25 39.56 2yrz s ASN 66 CO 0.00 0.34 0.12 -0.63 -1.51 0.00 0.00 177.10 175.42 2yrz s ILE 67 N -1.17 3.14 -2.00 0.60 -1.09 0.24 -4.95 121.20 115.97 2yrz s ILE 67 Ca 0.21 -1.82 0.11 0.00 -2.23 0.00 0.00 60.65 56.92 2yrz s ILE 67 Cb -0.12 -3.03 0.31 0.00 -1.58 0.00 0.00 42.46 38.03 2yrz s ILE 67 CO 0.11 -0.47 1.08 -0.81 -1.23 0.00 0.00 174.94 173.62 2yrz n PRO 68 N 4.59 0.49 -3.81 2.79 -0.04 -1.26 -2.43 135.00 135.32 2yrz n PRO 68 Ca -0.06 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.15 2yrz n PRO 68 Cb 0.42 -1.35 -0.17 0.00 -0.04 0.00 0.00 33.50 32.36 2yrz n PRO 68 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2yrz s ASN 69 N -1.85 2.22 0.10 3.54 2.47 -1.26 -4.87 114.94 115.28 2yrz s ASN 69 Ca 0.16 -0.40 0.18 0.00 0.42 0.00 0.00 52.86 53.22 2yrz s ASN 69 Cb 0.07 -0.64 0.74 0.00 -1.45 0.00 0.00 41.25 39.98 2yrz s ASN 69 CO 0.13 -0.20 1.55 -0.81 -3.72 0.00 0.00 177.10 174.04 2yrz n PRO 70 N 5.04 0.07 0.03 0.43 -0.04 -1.25 -2.54 135.00 136.74 2yrz n PRO 70 Ca -0.09 0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2yrz n PRO 70 Cb 0.49 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2yrz n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yrz h ALA 71 N 2.40 0.45 -1.43 0.55 0.00 -1.93 -3.44 119.26 115.86 2yrz h ALA 71 Ca 0.00 -1.19 -0.50 0.00 0.00 0.00 0.00 54.91 53.23 2yrz h ALA 71 Cb 0.29 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2yrz h ALA 71 CO 0.00 1.31 1.29 -1.14 0.00 0.00 0.00 179.25 180.71 2yrz s GLN 72 N -2.63 2.71 -0.42 0.00 0.74 -1.05 -4.82 119.66 114.18 2yrz s GLN 72 Ca -0.06 0.44 0.03 0.00 0.05 0.00 0.00 55.36 55.81 2yrz s GLN 72 Cb 0.08 -4.40 0.57 0.00 1.10 0.00 0.00 33.01 30.36 2yrz s GLN 72 CO 0.83 -2.68 1.84 0.25 -0.55 0.00 0.00 175.29 174.99 2yrz n THR 73 N 7.12 3.02 -3.62 -0.34 -2.24 -1.26 -4.88 114.28 112.08 2yrz n THR 73 Ca 0.19 -1.83 -0.13 0.00 -2.27 0.00 0.00 64.05 60.02 2yrz n THR 73 Cb 0.51 -0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 2yrz n THR 73 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2yrz s SER 74 N -1.09 -0.64 0.02 3.42 0.01 -1.26 -0.08 113.70 114.08 2yrz s SER 74 Ca 0.52 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.97 2yrz s SER 74 Cb 0.43 1.19 -0.02 0.00 0.21 0.00 0.00 66.02 67.84 2yrz s SER 74 CO 0.08 -0.25 -0.03 0.54 0.41 0.00 0.00 173.24 173.99 2yrz s VAL 75 N 0.18 0.17 -0.27 3.43 0.11 0.66 -4.98 120.40 119.70 2yrz s VAL 75 Ca 0.00 -0.69 -0.16 0.00 -2.93 0.00 0.00 61.98 58.21 2yrz s VAL 75 Cb -0.05 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2yrz s VAL 75 CO -0.01 -0.33 0.42 -0.69 -3.33 0.00 0.00 175.10 171.16 2yrz s VAL 76 N -1.04 5.14 -0.21 2.04 1.01 -1.26 -0.68 120.40 125.40 2yrz s VAL 76 Ca -0.10 0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.45 2yrz s VAL 76 Cb -0.07 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2yrz s VAL 76 CO -0.01 0.13 0.09 -0.69 0.00 0.00 0.00 175.10 174.63 2yrz s VAL 77 N 2.14 4.89 0.26 2.92 1.01 0.24 -4.93 120.40 126.93 2yrz s VAL 77 Ca 0.17 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2yrz s VAL 77 Cb -0.16 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2yrz s VAL 77 CO 0.10 0.40 0.10 -0.62 0.00 0.00 0.00 175.10 175.08 2yrz n GLU 78 N 4.02 0.67 -3.25 2.72 1.02 -1.26 0.17 120.64 124.72 2yrz n GLU 78 Ca -0.16 -2.23 -0.15 0.00 -0.02 0.00 0.00 57.16 54.61 2yrz n GLU 78 Cb 0.52 1.26 0.08 0.00 -0.02 0.00 0.00 31.44 33.28 2yrz n GLU 78 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yrz n ASP 79 N -1.75 -2.09 -4.90 1.62 9.92 -0.61 -4.95 116.55 113.79 2yrz n ASP 79 Ca -0.03 -0.54 -0.27 0.00 -0.53 0.00 0.00 54.79 53.42 2yrz n ASP 79 Cb 0.40 -4.56 -0.01 0.00 -0.64 0.00 0.00 41.12 36.31 2yrz n ASP 79 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2yrz s LEU 80 N -5.81 2.63 -0.09 0.64 1.43 -1.24 -5.09 118.68 111.14 2yrz s LEU 80 Ca 0.01 -1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 51.78 2yrz s LEU 80 Cb -0.00 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 2yrz s LEU 80 CO 0.64 -1.13 0.02 -0.76 0.23 0.00 0.00 176.35 175.35 2yrz s LEU 81 N -4.27 3.65 0.50 1.79 1.43 -1.26 -4.73 118.68 115.79 2yrz s LEU 81 Ca 0.31 0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.36 2yrz s LEU 81 Cb -0.02 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.29 2yrz s LEU 81 CO 0.20 0.37 1.15 -2.16 0.23 0.00 0.00 176.35 176.13 2yrz s PRO 82 N -0.81 3.57 -1.39 1.29 0.04 -1.26 -3.58 135.00 132.85 2yrz s PRO 82 Ca 0.12 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 2yrz s PRO 82 Cb -0.12 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.22 2yrz s PRO 82 CO 0.02 -0.69 0.57 0.09 0.04 0.00 0.00 177.00 177.04 2yrz n ASN 83 N -0.87 -1.03 -3.72 6.66 5.03 -1.13 -4.98 115.26 115.22 2yrz n ASN 83 Ca 0.09 -0.92 -0.15 0.00 0.87 0.00 0.00 54.58 54.47 2yrz n ASN 83 Cb 0.49 -3.46 -0.15 0.00 -1.02 0.00 0.00 39.78 35.64 2yrz n ASN 83 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2yrz s HIS 84 N -3.78 -0.16 0.47 3.10 3.76 -1.24 -4.95 115.29 112.50 2yrz s HIS 84 Ca 0.08 0.52 -0.21 0.00 -0.15 0.00 0.00 55.06 55.29 2yrz s HIS 84 Cb -0.04 -0.16 -0.08 0.00 1.11 0.00 0.00 32.58 33.41 2yrz s HIS 84 CO 0.86 -0.20 1.07 -1.12 -0.85 0.00 0.00 174.74 174.49 2yrz s SER 85 N 1.60 6.33 -0.02 1.40 0.01 -1.26 -3.88 113.70 117.88 2yrz s SER 85 Ca -0.04 2.03 -0.00 0.00 1.31 0.00 0.00 55.95 59.25 2yrz s SER 85 Cb -0.12 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.57 2yrz s SER 85 CO -0.06 -0.79 0.03 -0.31 0.41 0.00 0.00 173.24 172.52 2yrz s TYR 86 N -1.83 0.03 -0.56 2.43 2.02 -0.16 -0.61 117.35 118.67 2yrz s TYR 86 Ca 0.66 0.13 -0.20 0.00 -0.37 0.00 0.00 57.07 57.28 2yrz s TYR 86 Cb -0.20 -0.22 0.08 0.00 -0.40 0.00 0.00 41.96 41.21 2yrz s TYR 86 CO 0.24 -0.09 0.72 0.54 -1.57 0.00 0.00 175.55 175.40 2yrz s VAL 87 N 1.02 4.74 -0.14 0.71 0.11 -0.66 -0.69 120.40 125.49 2yrz s VAL 87 Ca -0.08 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.12 2yrz s VAL 87 Cb -0.12 -4.44 -0.02 0.00 -1.53 0.00 0.00 36.38 30.26 2yrz s VAL 87 CO -0.03 -1.04 0.73 -0.36 -3.33 0.00 0.00 175.10 171.07 2yrz s PHE 88 N 2.94 3.46 -0.35 1.54 0.40 -0.70 -3.25 117.98 122.03 2yrz s PHE 88 Ca 0.16 1.16 0.04 0.00 -0.60 0.00 0.00 56.93 57.69 2yrz s PHE 88 Cb -0.20 -2.88 0.10 0.00 0.51 0.00 0.00 43.02 40.54 2yrz s PHE 88 CO 0.10 -0.11 0.07 1.03 0.70 0.00 0.00 175.22 177.01 2yrz s ARG 89 N 1.63 1.46 0.06 0.44 0.52 0.98 0.94 118.95 124.98 2yrz s ARG 89 Ca 0.35 -1.88 -0.15 0.00 -0.52 0.00 0.00 55.73 53.53 2yrz s ARG 89 Cb -0.17 -3.12 -0.06 0.00 0.52 0.00 0.00 34.95 32.12 2yrz s ARG 89 CO 0.14 -0.96 0.48 0.08 0.02 0.00 0.00 175.30 175.06 2yrz s VAL 90 N 0.86 4.92 0.14 3.52 1.01 -0.49 -1.87 120.40 128.49 2yrz s VAL 90 Ca 0.11 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 2yrz s VAL 90 Cb -0.19 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2yrz s VAL 90 CO -0.09 0.48 0.30 -0.60 0.00 0.00 0.00 175.10 175.19 2yrz s ARG 91 N -1.34 1.09 0.37 2.72 3.52 0.12 -0.50 118.95 124.92 2yrz s ARG 91 Ca 0.29 -1.03 0.08 0.00 -0.13 0.00 0.00 55.73 54.94 2yrz s ARG 91 Cb -0.17 0.39 -0.06 0.00 -1.56 0.00 0.00 34.95 33.55 2yrz s ARG 91 CO 0.17 -0.40 -0.01 0.00 -0.81 0.00 0.00 175.30 174.25 2yrz s ALA 92 N -3.91 3.15 0.01 6.12 0.00 -1.26 -0.17 121.76 125.71 2yrz s ALA 92 Ca 0.12 -2.12 0.01 0.00 0.00 0.00 0.00 51.96 49.97 2yrz s ALA 92 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2yrz s ALA 92 CO -0.04 -0.00 -0.04 -1.14 0.00 0.00 0.00 175.76 174.53 2yrz s GLN 93 N -3.70 0.29 0.36 0.00 0.74 -1.25 -3.50 119.66 112.59 2yrz s GLN 93 Ca 0.35 -0.33 0.05 0.00 0.05 0.00 0.00 55.36 55.48 2yrz s GLN 93 Cb 0.04 -0.15 -0.02 0.00 1.10 0.00 0.00 33.01 33.98 2yrz s GLN 93 CO 0.18 0.03 0.20 -1.13 -0.55 0.00 0.00 175.29 174.02 2yrz n SER 94 N 2.41 0.39 -0.31 6.67 3.41 -1.21 -2.40 113.62 122.59 2yrz n SER 94 Ca -0.17 -3.07 0.09 0.00 -0.26 0.00 0.00 58.87 55.46 2yrz n SER 94 Cb 0.57 1.25 0.26 0.00 -0.26 0.00 0.00 64.21 66.03 2yrz n SER 94 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2yrz h GLN 95 N 0.00 0.58 0.18 4.33 5.75 -1.81 -2.92 115.11 121.22 2yrz h GLN 95 Ca -0.27 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 2yrz h GLN 95 Cb 1.15 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.57 2yrz h GLN 95 CO 0.41 0.38 -0.09 0.93 -2.65 0.00 0.00 178.83 177.81 2yrz h GLU 96 N 0.59 -0.24 0.00 1.69 4.39 -1.96 -3.50 114.58 115.55 2yrz h GLU 96 Ca 0.50 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2yrz h GLU 96 Cb 0.78 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2yrz h GLU 96 CO -0.40 -0.16 0.00 0.41 -1.16 0.00 0.00 179.01 177.70 2yrz n GLY 97 N -0.57 -1.35 3.67 -3.84 0.00 -1.10 -5.07 105.19 96.93 2yrz n GLY 97 Ca -0.03 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2yrz n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yrz s TRP 98 N -2.57 2.69 0.00 1.61 0.52 -1.26 -3.28 118.94 116.64 2yrz s TRP 98 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 56.10 56.90 2yrz s TRP 98 Cb 0.00 -3.64 0.00 0.00 -1.15 0.00 0.00 33.47 28.68 2yrz s TRP 98 CO 0.00 -2.39 0.00 0.41 0.02 0.00 0.00 176.95 174.99 2yrz n GLY 99 N 3.71 1.08 3.96 0.98 0.00 -1.23 -4.98 105.19 108.72 2yrz n GLY 99 Ca 0.14 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2yrz n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yrz s ARG 100 N 1.79 1.21 0.14 1.61 1.81 -1.22 -4.95 118.95 119.34 2yrz s ARG 100 Ca 0.00 -0.78 -0.04 0.00 -1.72 0.00 0.00 55.73 53.19 2yrz s ARG 100 Cb 0.00 -2.11 -0.03 0.00 -0.45 0.00 0.00 34.95 32.37 2yrz s ARG 100 CO 0.00 -1.89 0.14 -1.83 -0.68 0.00 0.00 175.30 171.04 2yrz s GLU 101 N -5.49 1.00 -0.04 3.54 4.04 -1.26 -4.16 118.70 116.33 2yrz s GLU 101 Ca 0.70 -1.33 0.07 0.00 0.04 0.00 0.00 54.97 54.45 2yrz s GLU 101 Cb -0.05 0.29 -0.02 0.00 0.02 0.00 0.00 34.13 34.38 2yrz s GLU 101 CO 0.48 -0.31 -0.24 0.50 -1.84 0.00 0.00 175.26 173.85 2yrz s ARG 102 N -4.01 2.36 0.19 -4.83 6.06 0.34 -4.71 118.95 114.34 2yrz s ARG 102 Ca 0.21 -0.89 -0.08 0.00 -2.50 0.00 0.00 55.73 52.47 2yrz s ARG 102 Cb 0.06 -2.14 -0.07 0.00 0.06 0.00 0.00 34.95 32.86 2yrz s ARG 102 CO 0.00 0.49 0.48 -2.00 -2.50 0.00 0.00 175.30 171.78 2yrz s GLU 103 N -0.43 3.73 -0.42 5.12 2.12 -1.26 -1.40 118.70 126.17 2yrz s GLU 103 Ca 0.05 0.14 0.07 0.00 0.36 0.00 0.00 54.97 55.58 2yrz s GLU 103 Cb -0.12 -2.74 0.18 0.00 0.26 0.00 0.00 34.13 31.71 2yrz s GLU 103 CO 0.01 0.38 0.61 0.20 -0.54 0.00 0.00 175.26 175.92 2yrz s GLY 104 N -2.36 -1.06 0.42 -1.50 0.00 0.27 -4.81 107.32 98.28 2yrz s GLY 104 Ca 0.44 -0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.83 2yrz s GLY 104 CO 0.22 3.52 1.12 0.54 0.00 0.00 0.00 173.10 178.50 2yrz s VAL 105 N 1.61 3.34 0.03 1.40 0.11 -1.26 -1.71 120.40 123.91 2yrz s VAL 105 Ca 0.19 1.04 0.01 0.00 -2.93 0.00 0.00 61.98 60.29 2yrz s VAL 105 Cb -0.05 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2yrz s VAL 105 CO -0.06 0.03 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.17 2yrz s ILE 106 N -1.55 0.28 -0.11 7.04 1.10 0.13 -4.93 121.20 123.17 2yrz s ILE 106 Ca 0.60 -0.98 0.03 0.00 -0.51 0.00 0.00 60.65 59.78 2yrz s ILE 106 Cb -0.27 -0.41 0.01 0.00 0.15 0.00 0.00 42.46 41.94 2yrz s ILE 106 CO 0.33 -0.46 -0.18 -0.89 -2.11 0.00 0.00 174.94 171.63 2yrz s THR 107 N -1.45 1.70 -0.66 4.00 2.01 -1.26 -0.99 115.64 118.99 2yrz s THR 107 Ca -0.13 -0.78 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 2yrz s THR 107 Cb -0.10 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.93 2yrz s THR 107 CO -0.01 0.48 1.21 -0.63 -0.69 0.00 0.00 174.62 174.99 2yrz s ILE 108 N 0.74 3.91 -0.43 1.82 -1.09 -1.25 -4.98 121.20 119.92 2yrz s ILE 108 Ca -0.11 0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 58.84 2yrz s ILE 108 Cb -0.16 -4.81 0.10 0.00 -1.58 0.00 0.00 42.46 36.02 2yrz s ILE 108 CO 0.02 -1.58 0.27 -1.61 -1.23 0.00 0.00 174.94 170.81 2yrz s GLU 109 N 5.24 2.35 0.10 2.79 2.02 -1.26 -2.85 118.70 127.10 2yrz s GLU 109 Ca 0.38 -1.70 -0.19 0.00 0.02 0.00 0.00 54.97 53.48 2yrz s GLU 109 Cb -0.08 -3.76 -0.07 0.00 0.10 0.00 0.00 34.13 30.32 2yrz s GLU 109 CO 0.20 -1.08 0.59 -1.54 0.02 0.00 0.00 175.26 173.45 2yrz s SER 110 N 2.23 7.06 -0.19 -0.19 1.04 -1.26 -5.00 113.70 117.39 2yrz s SER 110 Ca 0.05 1.28 -0.09 0.00 0.48 0.00 0.00 55.95 57.67 2yrz s SER 110 Cb -0.24 -2.36 0.07 0.00 0.10 0.00 0.00 66.02 63.58 2yrz s SER 110 CO -0.01 0.23 0.43 -1.58 0.98 0.00 0.00 173.24 173.29 2yrz s GLN 111 N -1.28 0.39 -0.02 4.02 0.74 -1.26 -5.05 119.66 117.20 2yrz s GLN 111 Ca 0.31 0.90 -0.01 0.00 0.05 0.00 0.00 55.36 56.61 2yrz s GLN 111 Cb -0.19 0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.01 2yrz s GLN 111 CO 0.20 -0.19 -0.02 0.28 -0.55 0.00 0.00 175.29 175.00 2yrz n VAL 112 N 4.63 0.12 -3.74 1.34 0.31 -1.26 -5.07 118.33 114.67 2yrz n VAL 112 Ca -0.18 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 2yrz n VAL 112 Cb 0.54 -1.09 -0.12 0.00 -0.91 0.00 0.00 33.84 32.25 2yrz n VAL 112 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2yrz s SER 113 N -4.74 -0.30 -0.25 4.52 0.01 -1.26 -5.16 113.70 106.52 2yrz s SER 113 Ca -0.03 0.58 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 2yrz s SER 113 Cb 0.01 0.49 0.17 0.00 0.21 0.00 0.00 66.02 66.90 2yrz s SER 113 CO 0.04 -0.15 1.25 -0.83 0.41 0.00 0.00 173.24 173.97 2yrz s GLY 114 N 0.98 0.00 0.59 3.44 0.00 -1.26 -5.16 107.32 105.90 2yrz s GLY 114 Ca -0.07 2.67 -0.18 0.00 0.00 0.00 0.00 44.72 47.14 2yrz s GLY 114 CO -0.07 1.19 1.12 2.56 0.00 0.00 0.00 173.10 177.90 2yrz s PRO 115 N -0.90 3.14 -0.25 2.90 0.04 -1.26 -5.06 135.00 133.61 2yrz s PRO 115 Ca 0.05 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2yrz s PRO 115 Cb -0.01 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.67 2yrz s PRO 115 CO -0.06 -1.00 0.48 0.45 0.04 0.00 0.00 177.00 176.91 2yrz s SER 116 N -2.10 -0.47 0.54 6.66 0.15 -1.26 -5.15 113.70 112.07 2yrz s SER 116 Ca 0.70 0.81 -0.20 0.00 0.70 0.00 0.00 55.95 57.97 2yrz s SER 116 Cb -0.22 1.59 -0.06 0.00 -1.71 0.00 0.00 66.02 65.61 2yrz s SER 116 CO 0.33 -0.26 1.12 -0.55 1.20 0.00 0.00 173.24 175.08 2yrz s SER 117 N 2.69 5.80 0.00 5.45 0.15 -1.26 -5.36 113.70 121.16 2yrz s SER 117 Ca 0.07 2.14 0.15 0.00 0.70 0.00 0.00 55.95 59.01 2yrz s SER 117 Cb -0.14 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 61.71 2yrz s SER 117 CO -0.16 -1.17 0.97 0.61 1.20 0.00 0.00 173.24 174.69