#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrz n SER 2 N 0.00 0.83 -3.79 1.61 3.41 -1.26 -5.05 113.62 109.37 2yrz n SER 2 Ca 0.00 -1.18 -0.13 0.00 -0.26 0.00 0.00 58.87 57.30 2yrz n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2yrz n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yrz s SER 3 N -0.18 -0.23 0.00 4.04 0.01 -1.26 -5.08 113.70 111.00 2yrz s SER 3 Ca 0.00 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2yrz s SER 3 Cb 0.00 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2yrz s SER 3 CO 0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2yrz n GLY 4 N 2.42 -0.70 3.94 3.44 0.00 -1.26 -5.13 105.19 107.89 2yrz n GLY 4 Ca -0.16 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2yrz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrz s SER 5 N -4.00 6.36 0.52 1.61 1.04 -1.26 -5.11 113.70 112.85 2yrz s SER 5 Ca 0.00 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.80 2yrz s SER 5 Cb 0.00 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 64.15 2yrz s SER 5 CO 0.00 -0.10 0.74 -0.94 0.98 0.00 0.00 173.24 173.92 2yrz s SER 6 N -3.47 5.43 0.00 7.02 1.04 -1.26 -5.12 113.70 117.34 2yrz s SER 6 Ca 0.38 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2yrz s SER 6 Cb -0.10 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 64.98 2yrz s SER 6 CO 0.30 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2yrz n GLY 7 N -2.26 4.49 4.08 7.32 0.00 -1.26 -4.79 105.19 112.78 2yrz n GLY 7 Ca 0.06 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 2yrz n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrz n SER 8 N 0.00 -1.91 -4.56 1.61 3.41 -1.26 -4.82 113.62 106.10 2yrz n SER 8 Ca 0.00 -1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 57.25 2yrz n SER 8 Cb 0.00 -2.93 -0.04 0.00 -0.26 0.00 0.00 64.21 60.98 2yrz n SER 8 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2yrz s HIS 9 N -3.63 2.08 -0.17 7.33 0.09 -1.26 -4.93 115.29 114.79 2yrz s HIS 9 Ca 0.38 0.11 -0.39 0.00 -0.00 0.00 0.00 55.06 55.16 2yrz s HIS 9 Cb -0.20 -4.36 -0.16 0.00 -0.00 0.00 0.00 32.58 27.86 2yrz s HIS 9 CO 0.91 -1.99 1.63 -3.47 -0.00 0.00 0.00 174.74 171.81 2yrz n ASP 10 N 11.34 2.19 -0.09 1.40 2.03 -1.26 -4.82 116.55 127.33 2yrz n ASP 10 Ca 0.26 1.09 0.15 0.00 0.52 0.00 0.00 54.79 56.81 2yrz n ASP 10 Cb 0.50 -1.16 0.71 0.00 -0.72 0.00 0.00 41.12 40.45 2yrz n ASP 10 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2yrz n SER 11 N 4.57 0.34 -4.24 1.67 3.41 -1.26 -4.55 113.62 113.56 2yrz n SER 11 Ca 0.24 -0.64 -0.43 0.00 -0.26 0.00 0.00 58.87 57.78 2yrz n SER 11 Cb 0.15 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 2yrz n SER 11 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2yrz s ARG 12 N -2.35 3.03 -0.06 4.33 3.00 -1.26 -5.03 118.95 120.61 2yrz s ARG 12 Ca 0.34 -2.25 -0.03 0.00 -1.00 0.00 0.00 55.73 52.78 2yrz s ARG 12 Cb 0.21 -4.13 0.03 0.00 0.00 0.00 0.00 34.95 31.06 2yrz s ARG 12 CO 0.44 -1.24 0.13 -0.51 0.00 0.00 0.00 175.30 174.12 2yrz s LEU 13 N 0.52 1.09 -0.12 -0.88 1.43 -1.26 -5.15 118.68 114.30 2yrz s LEU 13 Ca 0.13 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2yrz s LEU 13 Cb -0.18 0.39 -0.01 0.00 0.03 0.00 0.00 46.19 46.41 2yrz s LEU 13 CO -0.04 -0.10 -0.17 0.42 0.23 0.00 0.00 176.35 176.69 2yrz s THR 14 N 0.67 2.72 0.00 5.49 -4.23 -1.26 -4.97 115.64 114.06 2yrz s THR 14 Ca -0.05 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2yrz s THR 14 Cb -0.07 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.66 2yrz s THR 14 CO -0.03 0.53 0.00 0.00 -0.54 0.00 0.00 174.62 174.58 2yrz n ALA 15 N 3.55 1.97 -0.22 3.99 0.00 -1.26 -4.77 120.51 123.77 2yrz n ALA 15 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 2yrz n ALA 15 Cb 0.53 0.31 0.02 0.00 0.00 0.00 0.00 19.45 20.31 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 2.74 2.94 3.89 0.00 0.00 -1.26 -4.86 105.19 108.65 2yrz n GLY 16 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.88 5.17 0.17 1.61 -7.23 -1.26 -4.31 120.40 113.67 2yrz s VAL 17 Ca 0.13 0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 2yrz s VAL 17 Cb 0.10 -3.62 -0.08 0.00 0.56 0.00 0.00 36.38 33.34 2yrz s VAL 17 CO 0.01 0.08 1.32 -2.16 -0.31 0.00 0.00 175.10 174.04 2yrz s PRO 18 N -2.53 4.37 0.65 4.82 0.04 -1.26 -4.70 135.00 136.40 2yrz s PRO 18 Ca 0.39 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 2yrz s PRO 18 Cb -0.12 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2yrz s PRO 18 CO 0.23 -0.30 1.07 0.34 0.04 0.00 0.00 177.00 178.39 2yrz s ASP 19 N 0.56 5.41 0.00 6.66 2.15 -0.57 -2.93 116.67 127.96 2yrz s ASP 19 Ca 0.59 1.80 -0.38 0.00 0.43 0.00 0.00 52.55 54.99 2yrz s ASP 19 Cb -0.36 -2.53 -0.17 0.00 -0.30 0.00 0.00 42.92 39.57 2yrz s ASP 19 CO 0.36 -1.42 1.42 0.41 -0.17 0.00 0.00 175.17 175.76 2yrz n THR 20 N -2.54 0.06 -1.32 1.71 -1.04 -1.26 -4.60 114.28 105.29 2yrz n THR 20 Ca 0.09 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 2yrz n THR 20 Cb 0.53 -0.88 0.09 0.00 -1.82 0.00 0.00 70.33 68.25 2yrz n THR 20 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2yrz s PRO 21 N 1.12 2.32 1.02 -2.82 0.04 -1.26 -4.91 135.00 130.50 2yrz s PRO 21 Ca 0.88 1.20 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 2yrz s PRO 21 Cb -0.99 -1.90 0.21 0.00 0.04 0.00 0.00 34.50 31.85 2yrz s PRO 21 CO 0.51 -1.60 1.20 0.99 0.04 0.00 0.00 177.00 178.14 2yrz s THR 22 N -2.83 1.87 0.87 1.26 2.01 -1.26 -4.51 115.64 113.05 2yrz s THR 22 Ca 0.62 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.46 2yrz s THR 22 Cb -0.18 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 2yrz s THR 22 CO 0.54 0.00 -0.01 -2.11 -0.69 0.00 0.00 174.62 172.35 2yrz n ARG 23 N -4.07 -0.03 -3.56 4.92 -4.01 -1.26 -4.60 116.66 104.05 2yrz n ARG 23 Ca 0.12 0.02 -0.19 0.00 -1.04 0.00 0.00 57.85 56.75 2yrz n ARG 23 Cb 0.59 -1.49 -0.01 0.00 -3.04 0.00 0.00 32.46 28.51 2yrz n ARG 23 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2yrz s LEU 24 N 2.64 3.97 -0.19 2.89 1.43 -1.26 -4.53 118.68 123.62 2yrz s LEU 24 Ca 0.53 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2yrz s LEU 24 Cb -0.26 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2yrz s LEU 24 CO 0.70 -0.38 -0.12 -0.69 0.23 0.00 0.00 176.35 176.09 2yrz s VAL 25 N -2.17 1.68 -0.19 -1.59 1.01 -0.23 -4.89 120.40 114.03 2yrz s VAL 25 Ca 0.43 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2yrz s VAL 25 Cb -0.09 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2yrz s VAL 25 CO 0.30 0.23 0.11 -0.36 0.00 0.00 0.00 175.10 175.38 2yrz s PHE 26 N 1.39 3.38 -0.18 5.22 0.08 -1.24 -1.54 117.98 125.08 2yrz s PHE 26 Ca -0.00 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.34 2yrz s PHE 26 Cb -0.16 -2.11 -0.22 0.00 -0.57 0.00 0.00 43.02 39.97 2yrz s PHE 26 CO -0.09 0.30 0.09 0.45 -0.10 0.00 0.00 175.22 175.88 2yrz n SER 27 N 3.34 1.74 -3.46 1.36 2.88 -0.90 -4.91 113.62 113.68 2yrz n SER 27 Ca -0.17 0.05 -0.18 0.00 -1.33 0.00 0.00 58.87 57.25 2yrz n SER 27 Cb 0.52 -0.40 0.08 0.00 -0.75 0.00 0.00 64.21 63.66 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 -3.05 -2.06 -0.08 -1.46 0.00 -1.26 -4.79 120.51 107.80 2yrz n ALA 28 Ca -0.37 -0.06 0.23 0.00 0.00 0.00 0.00 53.44 53.23 2yrz n ALA 28 Cb 1.03 -2.65 0.42 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.83 0.00 0.00 0.00 -0.00 -1.84 -3.43 115.31 108.21 2yrz h LEU 29 Ca -0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 2yrz h LEU 29 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2yrz h LEU 29 CO 0.50 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.55 2yrz n GLY 30 N -1.65 1.01 0.19 0.83 0.00 -1.13 -4.93 105.19 99.51 2yrz n GLY 30 Ca 0.17 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.93 -3.12 132.00 128.69 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 0.36 -0.08 0.25 -0.23 0.00 0.00 178.00 178.29 2yrz n THR 32 N -3.72 1.77 -3.98 1.56 -2.24 -1.26 -4.17 114.28 102.23 2yrz n THR 32 Ca -0.01 -2.18 -0.10 0.00 -2.27 0.00 0.00 64.05 59.49 2yrz n THR 32 Cb 0.45 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.77 0.30 0.24 3.42 1.04 -1.18 -1.61 113.70 113.13 2yrz s SER 33 Ca 0.30 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 2yrz s SER 33 Cb 0.27 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.48 2yrz s SER 33 CO 0.02 -0.25 0.57 -0.76 0.98 0.00 0.00 173.24 173.81 2yrz s LEU 34 N -1.28 0.04 -0.25 2.42 1.43 0.37 -2.85 118.68 118.57 2yrz s LEU 34 Ca -0.13 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 2yrz s LEU 34 Cb -0.09 2.22 0.12 0.00 0.03 0.00 0.00 46.19 48.47 2yrz s LEU 34 CO -0.01 -1.17 0.27 -0.60 0.23 0.00 0.00 176.35 175.07 2yrz s ARG 35 N -3.93 0.27 -0.14 1.70 3.52 -1.26 0.52 118.95 119.63 2yrz s ARG 35 Ca 0.14 0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.63 2yrz s ARG 35 Cb -0.02 -0.87 -0.05 0.00 -1.56 0.00 0.00 34.95 32.45 2yrz s ARG 35 CO 0.04 -0.84 0.36 0.08 -0.81 0.00 0.00 175.30 174.13 2yrz s VAL 36 N 2.36 5.25 -0.07 7.11 1.01 0.08 -2.11 120.40 134.03 2yrz s VAL 36 Ca 0.09 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.78 2yrz s VAL 36 Cb -0.15 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2yrz s VAL 36 CO -0.23 0.38 -0.06 -0.55 0.00 0.00 0.00 175.10 174.63 2yrz s SER 37 N 0.43 1.56 0.55 3.32 0.15 -0.59 -0.72 113.70 118.40 2yrz s SER 37 Ca 0.20 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.68 2yrz s SER 37 Cb -0.14 -0.63 0.03 0.00 -1.71 0.00 0.00 66.02 63.57 2yrz s SER 37 CO 0.07 -0.07 0.28 -1.66 1.20 0.00 0.00 173.24 173.05 2yrz s TRP 38 N 1.24 1.56 -0.17 3.44 -2.14 0.20 -1.07 118.94 122.00 2yrz s TRP 38 Ca -0.05 -0.93 -0.01 0.00 2.66 0.00 0.00 56.10 57.77 2yrz s TRP 38 Cb -0.14 -1.79 -0.01 0.00 -3.10 0.00 0.00 33.47 28.44 2yrz s TRP 38 CO -0.02 -0.30 -0.11 -1.14 -2.66 0.00 0.00 176.95 172.72 2yrz s GLN 39 N -4.18 3.32 -0.58 3.25 2.00 -1.26 -4.80 119.66 117.40 2yrz s GLN 39 Ca 0.22 -0.69 -0.35 0.00 -2.00 0.00 0.00 55.36 52.54 2yrz s GLN 39 Cb -0.02 -2.77 -0.16 0.00 0.80 0.00 0.00 33.01 30.87 2yrz s GLN 39 CO 0.14 -0.02 2.34 -1.91 -0.50 0.00 0.00 175.29 175.34 2yrz n GLU 40 N 4.20 0.52 -1.17 1.67 2.13 -1.26 -4.30 120.64 122.43 2yrz n GLU 40 Ca -0.19 0.10 -0.29 0.00 0.66 0.00 0.00 57.16 57.45 2yrz n GLU 40 Cb 0.52 -2.09 0.18 0.00 0.27 0.00 0.00 31.44 30.31 2yrz n GLU 40 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2yrz s PRO 41 N 7.17 0.40 0.11 5.31 0.04 -1.26 -5.00 135.00 141.77 2yrz s PRO 41 Ca 1.18 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2yrz s PRO 41 Cb -1.04 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 2yrz s PRO 41 CO 0.50 -2.75 0.96 -0.98 0.04 0.00 0.00 177.00 174.77 2yrz s ARG 42 N -4.97 4.70 -0.26 4.56 1.70 -1.26 -4.86 118.95 118.56 2yrz s ARG 42 Ca 0.65 1.46 -0.07 0.00 -0.47 0.00 0.00 55.73 57.30 2yrz s ARG 42 Cb -0.19 -3.38 0.13 0.00 -0.57 0.00 0.00 34.95 30.95 2yrz s ARG 42 CO 0.58 0.21 0.55 0.00 -1.08 0.00 0.00 175.30 175.55 2yrz h GLU 44 N 8.07 0.02 -6.27 0.00 3.07 -1.84 -3.40 114.58 114.23 2yrz h GLU 44 Ca -0.18 -0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.06 2yrz h GLU 44 Cb 1.12 -0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.93 2yrz h GLU 44 CO 0.15 0.01 -0.62 1.03 -1.40 0.00 0.00 179.01 178.18 2yrz s ARG 45 N -4.97 2.67 0.05 2.33 1.81 -1.26 -5.08 118.95 114.50 2yrz s ARG 45 Ca -0.05 -0.89 -0.31 0.00 -1.72 0.00 0.00 55.73 52.76 2yrz s ARG 45 Cb 0.23 -2.55 -0.07 0.00 -0.45 0.00 0.00 34.95 32.11 2yrz s ARG 45 CO 0.81 0.51 1.41 -1.25 -0.68 0.00 0.00 175.30 176.09 2yrz s PRO 46 N -2.72 4.30 0.51 3.54 0.04 -1.26 -4.89 135.00 134.51 2yrz s PRO 46 Ca 0.28 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.13 2yrz s PRO 46 Cb -0.11 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 30.93 2yrz s PRO 46 CO 0.20 -0.52 1.26 -0.51 0.04 0.00 0.00 177.00 177.47 2yrz s LEU 47 N 1.87 3.91 -0.01 -3.56 1.43 -1.26 -4.30 118.68 116.75 2yrz s LEU 47 Ca 0.65 2.53 0.16 0.00 -1.03 0.00 0.00 54.13 56.44 2yrz s LEU 47 Cb -0.34 -4.29 -0.23 0.00 0.03 0.00 0.00 46.19 41.36 2yrz s LEU 47 CO 0.28 -1.28 0.47 0.00 0.23 0.00 0.00 176.35 176.06 2yrz n GLN 48 N -0.83 0.91 -3.18 1.70 6.02 -0.90 -4.64 117.38 116.46 2yrz n GLN 48 Ca 0.09 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2yrz n GLN 48 Cb 0.47 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.38 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 1.50 -0.90 3.23 1.08 0.00 -1.25 -3.64 105.19 105.20 2yrz n GLY 49 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.00 0.82 -0.07 1.61 2.02 -1.16 -3.11 117.35 114.46 2yrz s TYR 50 Ca 0.00 -1.15 -0.01 0.00 -0.37 0.00 0.00 57.07 55.54 2yrz s TYR 50 Cb 0.00 -0.38 0.03 0.00 -0.40 0.00 0.00 41.96 41.21 2yrz s TYR 50 CO 0.00 -0.62 -0.02 0.45 -1.57 0.00 0.00 175.55 173.80 2yrz s SER 51 N -3.06 1.50 -0.50 2.29 0.15 0.91 -0.92 113.70 114.07 2yrz s SER 51 Ca 0.26 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2yrz s SER 51 Cb 0.06 -0.48 0.13 0.00 -1.71 0.00 0.00 66.02 64.02 2yrz s SER 51 CO 0.04 -0.16 0.27 -0.69 1.20 0.00 0.00 173.24 173.90 2yrz s VAL 52 N 1.72 2.97 -0.08 4.45 1.01 0.42 -0.06 120.40 130.83 2yrz s VAL 52 Ca 0.02 -2.85 -0.14 0.00 0.00 0.00 0.00 61.98 59.01 2yrz s VAL 52 Cb -0.13 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2yrz s VAL 52 CO -0.04 -0.77 0.36 -1.61 0.00 0.00 0.00 175.10 173.04 2yrz s GLU 53 N 0.21 4.05 -0.00 2.72 2.02 -0.99 -2.00 118.70 124.71 2yrz s GLU 53 Ca 0.15 0.28 -0.01 0.00 0.02 0.00 0.00 54.97 55.40 2yrz s GLU 53 Cb -0.22 -3.32 -0.00 0.00 0.10 0.00 0.00 34.13 30.68 2yrz s GLU 53 CO -0.03 0.47 0.02 1.52 0.02 0.00 0.00 175.26 177.25 2yrz s TYR 54 N -0.31 0.06 0.05 1.61 -0.85 -0.82 -0.15 117.35 116.94 2yrz s TYR 54 Ca 0.21 -0.12 -0.27 0.00 -0.52 0.00 0.00 57.07 56.38 2yrz s TYR 54 Cb -0.15 -0.05 0.07 0.00 0.38 0.00 0.00 41.96 42.21 2yrz s TYR 54 CO 0.09 -0.08 0.63 1.14 -1.52 0.00 0.00 175.55 175.81 2yrz s GLN 55 N -0.49 1.15 -0.27 -3.49 -2.07 -1.21 -1.49 119.66 111.78 2yrz s GLN 55 Ca -0.05 -0.10 -0.37 0.00 -1.82 0.00 0.00 55.36 53.01 2yrz s GLN 55 Cb -0.03 0.53 -0.13 0.00 -1.09 0.00 0.00 33.01 32.29 2yrz s GLN 55 CO -0.00 -0.43 1.96 1.28 -1.32 0.00 0.00 175.29 176.78 2yrz n LEU 56 N 0.31 2.48 -0.33 2.60 4.77 -1.25 -0.91 117.00 124.67 2yrz n LEU 56 Ca -0.18 0.78 0.29 0.00 -0.03 0.00 0.00 56.01 56.87 2yrz n LEU 56 Cb 0.61 -1.23 0.61 0.00 -2.33 0.00 0.00 43.42 41.08 2yrz n LEU 56 CO 0.18 -0.47 1.26 0.25 -1.33 0.00 0.00 177.39 177.28 2yrz h LEU 57 N 9.73 0.25 -0.04 2.23 5.85 -1.37 0.60 115.31 132.55 2yrz h LEU 57 Ca -0.39 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2yrz h LEU 57 Cb 1.31 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 2yrz h LEU 57 CO 0.98 0.03 -0.05 0.78 -0.34 0.00 0.00 178.44 179.85 2yrz h ASN 58 N 0.22 0.11 0.00 1.25 2.35 -1.87 -3.48 115.58 114.16 2yrz h ASN 58 Ca 0.59 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2yrz h ASN 58 Cb 1.87 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.21 2yrz h ASN 58 CO -0.19 0.60 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 2yrz n GLY 59 N 0.29 0.88 0.00 2.83 0.00 0.20 -5.19 105.19 104.20 2yrz n GLY 59 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 5.10 3.88 -0.02 0.00 -1.24 -4.96 105.19 107.95 2yrz n GLY 60 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 4.44 3.76 -0.16 1.61 2.56 -1.26 -4.84 118.70 124.81 2yrz s GLU 61 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 54.97 55.34 2yrz s GLU 61 Cb 0.00 -2.46 -0.01 0.00 2.00 0.00 0.00 34.13 33.67 2yrz s GLU 61 CO 0.00 0.04 -0.12 -1.17 -0.56 0.00 0.00 175.26 173.45 2yrz s LEU 62 N -3.70 2.68 -0.23 2.70 1.98 -1.26 -3.92 118.68 116.93 2yrz s LEU 62 Ca 0.50 -0.39 -0.03 0.00 -2.89 0.00 0.00 54.13 51.31 2yrz s LEU 62 Cb -0.10 -1.63 0.00 0.00 0.66 0.00 0.00 46.19 45.12 2yrz s LEU 62 CO 0.30 0.09 -0.05 -1.00 -1.89 0.00 0.00 176.35 173.80 2yrz s HIS 63 N 0.79 2.97 -0.26 5.38 3.76 -0.56 -4.99 115.29 122.38 2yrz s HIS 63 Ca -0.04 -1.08 -0.12 0.00 -0.15 0.00 0.00 55.06 53.66 2yrz s HIS 63 Cb -0.15 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 2yrz s HIS 63 CO 0.01 -0.60 0.23 0.50 -0.85 0.00 0.00 174.74 174.04 2yrz s ARG 64 N 1.44 4.00 -0.23 1.40 3.52 -1.26 -1.95 118.95 125.88 2yrz s ARG 64 Ca 0.05 -0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.38 2yrz s ARG 64 Cb -0.15 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.60 2yrz s ARG 64 CO -0.04 -0.14 0.02 -0.51 -0.81 0.00 0.00 175.30 173.82 2yrz s LEU 65 N 1.65 3.22 -0.04 -0.88 1.43 -0.84 -4.97 118.68 118.24 2yrz s LEU 65 Ca 0.09 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2yrz s LEU 65 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2yrz s LEU 65 CO 0.09 -0.01 0.23 0.20 0.23 0.00 0.00 176.35 177.09 2yrz s ASN 66 N 1.46 6.48 -0.31 2.29 -0.87 -1.26 -0.43 114.94 122.30 2yrz s ASN 66 Ca 0.05 0.55 -0.04 0.00 -1.57 0.00 0.00 52.86 51.86 2yrz s ASN 66 Cb -0.15 -2.09 0.05 0.00 -0.02 0.00 0.00 41.25 39.04 2yrz s ASN 66 CO 0.01 0.32 0.04 -0.63 -2.57 0.00 0.00 177.10 174.26 2yrz s ILE 67 N -1.18 3.29 -2.00 0.60 -1.09 -0.10 -4.96 121.20 115.76 2yrz s ILE 67 Ca 0.23 -1.28 0.12 0.00 -2.23 0.00 0.00 60.65 57.49 2yrz s ILE 67 Cb -0.13 -2.88 0.35 0.00 -1.58 0.00 0.00 42.46 38.23 2yrz s ILE 67 CO 0.12 -0.13 1.17 -0.81 -1.23 0.00 0.00 174.94 174.06 2yrz n PRO 68 N 4.69 0.49 -3.94 2.79 -0.04 -1.26 -2.98 135.00 134.75 2yrz n PRO 68 Ca -0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 2yrz n PRO 68 Cb 0.44 -1.40 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.90 3.30 0.00 3.54 2.47 -1.26 -4.91 114.94 116.19 2yrz s ASN 69 Ca 0.19 -0.88 0.14 0.00 0.42 0.00 0.00 52.86 52.73 2yrz s ASN 69 Cb 0.09 -1.10 0.65 0.00 -1.45 0.00 0.00 41.25 39.43 2yrz s ASN 69 CO 0.14 -0.18 1.44 -0.81 -3.72 0.00 0.00 177.10 173.98 2yrz n PRO 70 N 4.75 0.06 -0.03 0.43 -0.04 -1.24 -2.33 135.00 136.60 2yrz n PRO 70 Ca -0.13 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2yrz n PRO 70 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2yrz n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yrz n ALA 71 N -1.44 2.01 -2.27 0.55 0.00 -1.26 -4.79 120.51 113.31 2yrz n ALA 71 Ca 0.04 -0.84 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 2yrz n ALA 71 Cb 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 2yrz n ALA 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2yrz s GLN 72 N -2.92 2.95 -0.44 0.00 0.74 -0.98 -4.83 119.66 114.17 2yrz s GLN 72 Ca -0.07 0.33 0.04 0.00 0.05 0.00 0.00 55.36 55.72 2yrz s GLN 72 Cb 0.09 -4.27 0.65 0.00 1.10 0.00 0.00 33.01 30.58 2yrz s GLN 72 CO 0.85 -2.38 1.88 0.25 -0.55 0.00 0.00 175.29 175.34 2yrz n THR 73 N 6.89 3.16 -3.68 -0.34 -2.24 -1.26 -4.88 114.28 111.92 2yrz n THR 73 Ca 0.13 -2.02 -0.10 0.00 -2.27 0.00 0.00 64.05 59.80 2yrz n THR 73 Cb 0.50 -0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 2yrz n THR 73 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yrz s SER 74 N -1.43 -0.58 -0.00 3.42 1.04 -1.26 -0.63 113.70 114.26 2yrz s SER 74 Ca 0.56 1.01 0.02 0.00 0.48 0.00 0.00 55.95 58.02 2yrz s SER 74 Cb 0.47 0.93 -0.00 0.00 0.10 0.00 0.00 66.02 67.52 2yrz s SER 74 CO 0.10 -0.20 -0.05 0.54 0.98 0.00 0.00 173.24 174.60 2yrz s VAL 75 N 1.53 0.40 -0.26 5.02 0.11 0.10 -4.99 120.40 122.31 2yrz s VAL 75 Ca -0.09 -0.24 -0.16 0.00 -2.93 0.00 0.00 61.98 58.56 2yrz s VAL 75 Cb -0.08 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2yrz s VAL 75 CO -0.14 0.10 0.43 -0.69 -3.33 0.00 0.00 175.10 171.47 2yrz s VAL 76 N -0.15 5.13 -0.23 2.04 1.01 -1.26 -0.74 120.40 126.20 2yrz s VAL 76 Ca 0.02 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 2yrz s VAL 76 Cb -0.02 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2yrz s VAL 76 CO -0.00 0.13 0.14 -0.69 0.00 0.00 0.00 175.10 174.68 2yrz s VAL 77 N 2.15 5.20 0.38 2.92 1.01 0.18 -4.90 120.40 127.34 2yrz s VAL 77 Ca 0.17 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2yrz s VAL 77 Cb -0.16 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2yrz s VAL 77 CO 0.10 0.36 0.10 -0.62 0.00 0.00 0.00 175.10 175.03 2yrz n GLU 78 N 4.27 0.69 -3.10 2.72 1.02 -1.26 0.14 120.64 125.12 2yrz n GLU 78 Ca -0.15 -3.06 -0.13 0.00 -0.02 0.00 0.00 57.16 53.79 2yrz n GLU 78 Cb 0.52 1.48 0.07 0.00 -0.02 0.00 0.00 31.44 33.48 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 -1.52 -2.34 -3.90 1.62 9.92 -0.64 -4.95 116.55 114.75 2yrz n ASP 79 Ca -0.08 -0.46 -0.18 0.00 -0.53 0.00 0.00 54.79 53.54 2yrz n ASP 79 Cb 0.54 -3.99 -0.00 0.00 -0.64 0.00 0.00 41.12 37.02 2yrz n ASP 79 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2yrz n LEU 80 N -3.42 0.00 -4.62 0.64 4.77 -1.24 -5.09 117.00 108.05 2yrz n LEU 80 Ca -0.20 -1.95 -0.34 0.00 -0.03 0.00 0.00 56.01 53.49 2yrz n LEU 80 Cb 0.62 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.60 2yrz n LEU 80 CO 0.46 -0.46 -0.36 -0.76 -1.33 0.00 0.00 177.39 174.95 2yrz s LEU 81 N 0.00 3.31 0.57 2.23 1.43 -1.26 -4.72 118.68 120.24 2yrz s LEU 81 Ca 0.19 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 2yrz s LEU 81 Cb -0.02 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2yrz s LEU 81 CO 0.12 0.36 1.12 -2.16 0.23 0.00 0.00 176.35 176.02 2yrz s PRO 82 N -0.92 3.21 -1.58 1.29 0.04 -1.26 -3.48 135.00 132.30 2yrz s PRO 82 Ca 0.13 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 2yrz s PRO 82 Cb -0.11 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.53 2yrz s PRO 82 CO 0.03 -0.95 0.68 0.09 0.04 0.00 0.00 177.00 176.88 2yrz n ASN 83 N -1.59 -2.44 -3.92 6.66 5.03 -1.14 -4.95 115.26 112.91 2yrz n ASN 83 Ca 0.11 -0.99 -0.17 0.00 0.87 0.00 0.00 54.58 54.41 2yrz n ASN 83 Cb 0.51 -2.98 -0.15 0.00 -1.02 0.00 0.00 39.78 36.14 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 -3.53 0.50 0.22 3.10 3.76 -1.23 -4.91 115.29 113.20 2yrz s HIS 84 Ca 0.48 -0.10 -0.19 0.00 -0.15 0.00 0.00 55.06 55.10 2yrz s HIS 84 Cb -0.26 -0.40 -0.08 0.00 1.11 0.00 0.00 32.58 32.95 2yrz s HIS 84 CO 0.90 -0.07 0.71 -1.12 -0.85 0.00 0.00 174.74 174.31 2yrz s SER 85 N 0.33 7.02 -0.04 1.40 0.01 -1.26 -2.97 113.70 118.19 2yrz s SER 85 Ca -0.04 1.38 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 2yrz s SER 85 Cb -0.07 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.78 2yrz s SER 85 CO -0.00 0.02 0.05 -0.31 0.41 0.00 0.00 173.24 173.40 2yrz s TYR 86 N -1.55 0.14 -0.66 2.43 2.02 -0.27 -0.97 117.35 118.50 2yrz s TYR 86 Ca 0.43 0.17 -0.27 0.00 -0.37 0.00 0.00 57.07 57.04 2yrz s TYR 86 Cb -0.16 -0.48 0.03 0.00 -0.40 0.00 0.00 41.96 40.95 2yrz s TYR 86 CO 0.21 -0.19 1.21 0.54 -1.57 0.00 0.00 175.55 175.74 2yrz s VAL 87 N 1.92 3.92 -0.40 0.71 0.11 -0.09 -1.37 120.40 125.19 2yrz s VAL 87 Ca 0.02 0.58 -0.21 0.00 -2.93 0.00 0.00 61.98 59.44 2yrz s VAL 87 Cb -0.12 -4.80 0.01 0.00 -1.53 0.00 0.00 36.38 29.94 2yrz s VAL 87 CO -0.03 -1.57 0.68 -0.36 -3.33 0.00 0.00 175.10 170.49 2yrz s PHE 88 N 5.21 3.09 -0.39 1.54 0.40 0.31 -3.31 117.98 124.84 2yrz s PHE 88 Ca 0.38 0.22 -0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2yrz s PHE 88 Cb -0.08 -3.33 0.08 0.00 0.51 0.00 0.00 43.02 40.20 2yrz s PHE 88 CO 0.20 -0.78 0.18 1.03 0.70 0.00 0.00 175.22 176.54 2yrz s ARG 89 N 2.90 2.34 0.05 0.44 0.52 0.78 -1.20 118.95 124.78 2yrz s ARG 89 Ca 0.26 -1.54 -0.23 0.00 -0.52 0.00 0.00 55.73 53.69 2yrz s ARG 89 Cb -0.14 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 31.71 2yrz s ARG 89 CO 0.18 -0.91 0.70 0.08 0.02 0.00 0.00 175.30 175.36 2yrz s VAL 90 N 1.28 4.73 0.07 3.52 1.01 -0.94 -2.34 120.40 127.72 2yrz s VAL 90 Ca 0.03 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.52 2yrz s VAL 90 Cb -0.22 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2yrz s VAL 90 CO -0.01 0.42 -0.06 -0.60 0.00 0.00 0.00 175.10 174.85 2yrz s ARG 91 N -0.35 0.68 0.18 2.72 3.52 0.91 -1.31 118.95 125.30 2yrz s ARG 91 Ca 0.35 -1.12 0.10 0.00 -0.13 0.00 0.00 55.73 54.93 2yrz s ARG 91 Cb -0.20 -0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 2yrz s ARG 91 CO 0.21 -0.02 -0.15 0.00 -0.81 0.00 0.00 175.30 174.53 2yrz s ALA 92 N -2.99 2.78 -0.00 6.12 0.00 -1.26 -0.06 121.76 126.35 2yrz s ALA 92 Ca 0.04 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.51 2yrz s ALA 92 Cb 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2yrz s ALA 92 CO -0.04 0.45 -0.17 -1.14 0.00 0.00 0.00 175.76 174.86 2yrz s GLN 93 N -2.76 1.34 0.34 0.00 0.74 -1.18 -2.85 119.66 115.30 2yrz s GLN 93 Ca 0.23 -0.65 0.05 0.00 0.05 0.00 0.00 55.36 55.04 2yrz s GLN 93 Cb -0.08 -1.32 -0.03 0.00 1.10 0.00 0.00 33.01 32.68 2yrz s GLN 93 CO 0.13 0.36 0.19 -1.54 -0.55 0.00 0.00 175.29 173.88 2yrz s SER 94 N -0.52 1.90 0.33 6.67 1.04 -1.23 -2.12 113.70 119.77 2yrz s SER 94 Ca 0.06 -1.65 0.11 0.00 0.48 0.00 0.00 55.95 54.94 2yrz s SER 94 Cb -0.07 0.48 0.89 0.00 0.10 0.00 0.00 66.02 67.43 2yrz s SER 94 CO -0.00 -0.96 1.75 -0.61 0.98 0.00 0.00 173.24 174.40 2yrz h GLN 95 N 2.08 0.57 0.06 4.02 5.75 -1.85 -2.87 115.11 122.88 2yrz h GLN 95 Ca -0.31 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2yrz h GLN 95 Cb 1.25 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.67 2yrz h GLN 95 CO 0.48 0.38 -0.03 0.93 -2.65 0.00 0.00 178.83 177.94 2yrz h GLU 96 N 0.59 -0.08 0.00 1.69 4.39 -1.96 -3.50 114.58 115.71 2yrz h GLU 96 Ca 0.61 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.32 2yrz h GLU 96 Cb 1.19 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2yrz h GLU 96 CO -0.41 -0.05 0.00 0.41 -1.16 0.00 0.00 179.01 177.80 2yrz n GLY 97 N 0.34 -0.92 3.67 -3.84 0.00 -1.08 -5.08 105.19 98.29 2yrz n GLY 97 Ca -0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 2.00 0.00 1.61 0.52 -1.26 -3.56 118.94 116.26 2yrz s TRP 98 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.18 2yrz s TRP 98 Cb 0.00 -4.04 0.00 0.00 -1.15 0.00 0.00 33.47 28.28 2yrz s TRP 98 CO 0.00 -4.38 0.00 0.41 0.02 0.00 0.00 176.95 173.00 2yrz n GLY 99 N 4.19 0.78 3.98 0.98 0.00 -1.13 -4.96 105.19 109.02 2yrz n GLY 99 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 1.08 2.88 0.00 1.61 1.81 -1.15 -4.93 118.95 120.26 2yrz s ARG 100 Ca 0.00 -0.84 0.01 0.00 -1.72 0.00 0.00 55.73 53.18 2yrz s ARG 100 Cb 0.00 -2.64 -0.01 0.00 -0.45 0.00 0.00 34.95 31.85 2yrz s ARG 100 CO 0.00 -0.32 -0.04 -1.83 -0.68 0.00 0.00 175.30 172.44 2yrz s GLU 101 N -4.48 0.28 0.21 3.54 -1.05 -1.26 -3.98 118.70 111.96 2yrz s GLU 101 Ca 0.51 -0.21 -0.12 0.00 -0.15 0.00 0.00 54.97 55.00 2yrz s GLU 101 Cb -0.10 -0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 33.29 2yrz s GLU 101 CO 0.35 0.06 0.57 0.50 0.95 0.00 0.00 175.26 177.69 2yrz s ARG 102 N -0.32 3.88 -0.11 -4.83 6.06 -0.43 -4.87 118.95 118.33 2yrz s ARG 102 Ca -0.01 0.39 -0.06 0.00 -2.50 0.00 0.00 55.73 53.54 2yrz s ARG 102 Cb -0.03 -2.72 -0.04 0.00 0.06 0.00 0.00 34.95 32.22 2yrz s ARG 102 CO -0.00 0.36 0.13 -2.00 -2.50 0.00 0.00 175.30 171.28 2yrz s GLU 103 N -2.54 3.39 -0.32 5.12 2.12 -1.26 -2.22 118.70 122.98 2yrz s GLU 103 Ca 0.45 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.63 2yrz s GLU 103 Cb -0.12 -3.14 0.19 0.00 0.26 0.00 0.00 34.13 31.32 2yrz s GLU 103 CO 0.20 0.76 0.70 0.20 -0.54 0.00 0.00 175.26 176.58 2yrz s GLY 104 N -1.08 -1.23 0.02 -1.50 0.00 -0.34 -4.83 107.32 98.35 2yrz s GLY 104 Ca 0.16 1.06 -0.17 0.00 0.00 0.00 0.00 44.72 45.77 2yrz s GLY 104 CO 0.05 3.79 0.48 0.54 0.00 0.00 0.00 173.10 177.96 2yrz s VAL 105 N 2.59 4.92 0.07 1.40 0.11 -1.26 -0.53 120.40 127.70 2yrz s VAL 105 Ca 0.14 1.01 0.08 0.00 -2.93 0.00 0.00 61.98 60.29 2yrz s VAL 105 Cb -0.07 -3.80 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2yrz s VAL 105 CO -0.21 0.54 -0.23 -0.51 -3.33 0.00 0.00 175.10 171.36 2yrz s ILE 106 N -0.89 1.88 -0.28 7.04 1.10 -0.47 -4.92 121.20 124.65 2yrz s ILE 106 Ca 0.26 -1.38 -0.02 0.00 -0.51 0.00 0.00 60.65 59.00 2yrz s ILE 106 Cb -0.18 -1.64 0.03 0.00 0.15 0.00 0.00 42.46 40.83 2yrz s ILE 106 CO 0.15 0.19 -0.02 -0.89 -2.11 0.00 0.00 174.94 172.26 2yrz s THR 107 N -0.90 3.06 -0.14 4.00 2.01 -1.26 -1.11 115.64 121.30 2yrz s THR 107 Ca 0.09 -1.13 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 2yrz s THR 107 Cb -0.09 -2.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.71 2yrz s THR 107 CO 0.03 0.06 2.15 -0.38 -0.69 0.00 0.00 174.62 175.79 2yrz n ILE 108 N 4.68 0.47 -3.89 1.82 2.08 -1.16 -4.94 119.36 118.41 2yrz n ILE 108 Ca -0.15 -0.37 -0.34 0.00 0.56 0.00 0.00 62.75 62.45 2yrz n ILE 108 Cb 0.46 -2.50 -0.13 0.00 -0.75 0.00 0.00 39.64 36.71 2yrz n ILE 108 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2yrz s GLU 109 N 5.82 1.84 -0.15 0.38 2.02 -1.26 -2.90 118.70 124.45 2yrz s GLU 109 Ca 0.97 -1.78 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2yrz s GLU 109 Cb -0.36 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.51 2yrz s GLU 109 CO 0.37 -0.96 -0.15 -1.12 0.02 0.00 0.00 175.26 173.42 2yrz s SER 110 N 1.39 2.70 -0.49 -0.19 0.01 -1.26 -4.96 113.70 110.90 2yrz s SER 110 Ca 0.08 -0.49 -0.46 0.00 1.31 0.00 0.00 55.95 56.38 2yrz s SER 110 Cb -0.21 -1.20 -0.20 0.00 0.21 0.00 0.00 66.02 64.63 2yrz s SER 110 CO -0.05 -0.04 1.67 1.67 0.41 0.00 0.00 173.24 176.90 2yrz n GLN 111 N 4.70 0.06 0.04 12.44 -0.06 -1.26 -4.81 117.38 128.48 2yrz n GLN 111 Ca -0.17 0.02 0.11 0.00 -2.00 0.00 0.00 57.00 54.96 2yrz n GLN 111 Cb 0.50 -1.53 0.07 0.00 -4.06 0.00 0.00 30.24 25.22 2yrz n GLN 111 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 2yrz n VAL 112 N 4.34 0.24 -4.58 1.69 0.24 -1.26 -4.93 118.33 114.06 2yrz n VAL 112 Ca 0.34 -0.26 -0.27 0.00 -2.04 0.00 0.00 64.34 62.11 2yrz n VAL 112 Cb -0.05 0.09 -0.11 0.00 -1.47 0.00 0.00 33.84 32.30 2yrz n VAL 112 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2yrz s SER 113 N -4.05 3.78 0.69 -1.34 0.15 -1.26 -5.14 113.70 106.53 2yrz s SER 113 Ca 0.04 -1.30 -0.11 0.00 0.70 0.00 0.00 55.95 55.28 2yrz s SER 113 Cb 0.14 -0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 2yrz s SER 113 CO 0.77 -0.35 1.08 -0.83 1.20 0.00 0.00 173.24 175.12 2yrz s GLY 114 N -3.66 1.63 0.08 9.45 0.00 -1.26 -4.95 107.32 108.61 2yrz s GLY 114 Ca 0.34 -0.31 0.17 0.00 0.00 0.00 0.00 44.72 44.92 2yrz s GLY 114 CO 0.17 0.04 1.54 -1.55 0.00 0.00 0.00 173.10 173.30 2yrz n PRO 115 N -2.96 0.06 -1.67 2.90 -0.04 -1.26 -4.65 135.00 127.39 2yrz n PRO 115 Ca 0.07 0.31 -0.24 0.00 -0.04 0.00 0.00 63.50 63.60 2yrz n PRO 115 Cb 0.57 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2yrz n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yrz s SER 116 N -3.39 4.33 -0.12 3.54 1.04 -1.26 -4.92 113.70 112.92 2yrz s SER 116 Ca 0.06 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2yrz s SER 116 Cb 0.09 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 2yrz s SER 116 CO 0.30 -3.32 -0.14 -0.44 0.98 0.00 0.00 173.24 170.62 2yrz s SER 117 N 10.65 3.91 0.00 7.02 0.01 -1.26 -5.20 113.70 128.82 2yrz s SER 117 Ca 0.89 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2yrz s SER 117 Cb -0.13 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2yrz s SER 117 CO 0.13 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.57