#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 -0.33 -4.69 1.61 2.88 -1.26 -5.02 113.62 106.81 2yrz n SER 2 Ca 0.00 0.57 -0.23 0.00 -1.33 0.00 0.00 58.87 57.88 2yrz n SER 2 Cb 0.00 -1.34 -0.07 0.00 -0.75 0.00 0.00 64.21 62.05 2yrz n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yrz s SER 3 N -1.76 4.60 0.00 -3.46 1.04 -1.26 -5.08 113.70 107.79 2yrz s SER 3 Ca 0.68 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2yrz s SER 3 Cb -0.31 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.03 2yrz s SER 3 CO 0.56 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2yrz n GLY 4 N -1.03 3.56 3.28 7.32 0.00 -1.26 -5.17 105.19 111.89 2yrz n GLY 4 Ca -0.05 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 0.12 -0.08 1.61 1.04 -1.26 -5.17 113.70 109.95 2yrz s SER 5 Ca 0.00 -1.21 -0.08 0.00 0.48 0.00 0.00 55.95 55.15 2yrz s SER 5 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2yrz s SER 5 CO 0.00 -0.88 0.22 -0.44 0.98 0.00 0.00 173.24 173.12 2yrz s SER 6 N -3.09 -0.23 0.00 7.02 0.01 -1.26 -5.15 113.70 111.00 2yrz s SER 6 Ca 0.31 0.44 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2yrz s SER 6 Cb 0.05 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2yrz s SER 6 CO 0.08 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2yrz n GLY 7 N 2.99 1.55 3.08 3.44 0.00 -1.26 -5.13 105.19 109.86 2yrz n GLY 7 Ca -0.13 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2yrz n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yrz n SER 8 N 0.00 -3.75 -2.44 1.61 7.64 -1.26 -4.83 113.62 110.59 2yrz n SER 8 Ca 0.00 0.07 -0.33 0.00 1.01 0.00 0.00 58.87 59.61 2yrz n SER 8 Cb 0.00 -0.71 0.05 0.00 -1.01 0.00 0.00 64.21 62.54 2yrz n SER 8 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2yrz n HIS 9 N -3.35 2.79 -2.82 1.43 -0.00 -1.26 -4.89 115.22 107.12 2yrz n HIS 9 Ca -0.01 -2.60 -0.43 0.00 -0.00 0.00 0.00 57.72 54.68 2yrz n HIS 9 Cb 0.66 -1.31 -0.02 0.00 -0.00 0.00 0.00 29.99 29.32 2yrz n HIS 9 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2yrz s ASP 10 N -1.16 6.66 0.00 0.41 -4.77 -1.26 -4.49 116.67 112.06 2yrz s ASP 10 Ca 0.56 -2.03 0.00 0.00 -3.30 0.00 0.00 52.55 47.78 2yrz s ASP 10 Cb 0.44 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.82 2yrz s ASP 10 CO -0.14 -1.14 0.00 -1.54 0.70 0.00 0.00 175.17 173.05 2yrz n SER 11 N 7.10 1.36 -0.07 2.11 3.41 -1.26 -4.76 113.62 121.52 2yrz n SER 11 Ca 0.29 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 59.05 2yrz n SER 11 Cb 0.49 0.08 0.84 0.00 -0.26 0.00 0.00 64.21 65.36 2yrz n SER 11 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2yrz n ARG 12 N -1.32 1.09 -1.26 4.33 5.12 -1.26 -4.92 116.66 118.44 2yrz n ARG 12 Ca 0.00 -0.13 -0.38 0.00 -1.93 0.00 0.00 57.85 55.41 2yrz n ARG 12 Cb 0.15 -1.47 0.04 0.00 -1.16 0.00 0.00 32.46 30.02 2yrz n ARG 12 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2yrz n LEU 13 N -0.81 -1.84 -4.58 0.55 7.99 -1.26 -4.70 117.00 112.35 2yrz n LEU 13 Ca 0.22 0.59 -0.40 0.00 -0.01 0.00 0.00 56.01 56.41 2yrz n LEU 13 Cb 0.14 -1.00 -0.03 0.00 -0.11 0.00 0.00 43.42 42.41 2yrz n LEU 13 CO 0.17 -4.14 1.94 0.42 -1.51 0.00 0.00 177.39 174.27 2yrz s THR 14 N -1.92 3.00 -0.01 -5.08 -4.23 -1.26 -4.70 115.64 101.44 2yrz s THR 14 Ca 0.59 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 2yrz s THR 14 Cb -0.40 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 2yrz s THR 14 CO 0.64 -0.01 -0.00 0.00 -0.54 0.00 0.00 174.62 174.71 2yrz n ALA 15 N 13.85 1.98 0.59 3.99 0.00 -1.26 -4.66 120.51 135.00 2yrz n ALA 15 Ca 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.72 2yrz n ALA 15 Cb 0.50 0.32 0.07 0.00 0.00 0.00 0.00 19.45 20.34 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 3.14 2.01 3.81 0.00 0.00 -1.26 -4.90 105.19 107.98 2yrz n GLY 16 Ca -0.02 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.17 3.98 0.02 1.61 -7.23 -1.26 -3.84 120.40 112.51 2yrz s VAL 17 Ca 0.11 1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 61.14 2yrz s VAL 17 Cb 0.09 -3.49 -0.06 0.00 0.56 0.00 0.00 36.38 33.48 2yrz s VAL 17 CO 0.03 -0.34 1.44 -2.16 -0.31 0.00 0.00 175.10 173.76 2yrz s PRO 18 N -3.42 4.27 0.72 4.82 0.04 -1.26 -4.71 135.00 135.45 2yrz s PRO 18 Ca 0.65 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.58 2yrz s PRO 18 Cb -0.14 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.87 2yrz s PRO 18 CO 0.22 -0.59 1.11 0.34 0.04 0.00 0.00 177.00 178.12 2yrz s ASP 19 N 1.91 4.75 -0.11 6.66 2.15 -0.49 -3.07 116.67 128.47 2yrz s ASP 19 Ca 0.65 1.96 -0.40 0.00 0.43 0.00 0.00 52.55 55.19 2yrz s ASP 19 Cb -0.33 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 39.57 2yrz s ASP 19 CO 0.28 -1.87 1.42 0.41 -0.17 0.00 0.00 175.17 175.23 2yrz n THR 20 N -2.92 0.08 -1.21 1.71 -1.04 -1.26 -4.55 114.28 105.08 2yrz n THR 20 Ca 0.10 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.80 2yrz n THR 20 Cb 0.52 -0.69 0.13 0.00 -1.82 0.00 0.00 70.33 68.48 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 1.49 1.36 0.87 -2.82 0.04 -1.26 -4.88 135.00 129.80 2yrz s PRO 21 Ca 0.92 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2yrz s PRO 21 Cb -1.13 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 31.70 2yrz s PRO 21 CO 0.59 -2.18 1.16 0.99 0.04 0.00 0.00 177.00 177.60 2yrz s THR 22 N -2.93 2.00 0.98 1.26 2.01 -1.26 -4.58 115.64 113.12 2yrz s THR 22 Ca 0.63 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 2yrz s THR 22 Cb -0.18 -2.87 -0.10 0.00 0.01 0.00 0.00 72.50 69.36 2yrz s THR 22 CO 0.57 0.00 -0.47 0.54 -0.69 0.00 0.00 174.62 174.56 2yrz n ARG 23 N -3.56 -0.08 -3.70 4.92 1.74 -1.26 -4.49 116.66 110.23 2yrz n ARG 23 Ca 0.07 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.94 2yrz n ARG 23 Cb 0.60 -1.23 -0.01 0.00 -1.02 0.00 0.00 32.46 30.80 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 5.52 4.14 -0.20 0.55 1.43 -1.26 -4.51 118.68 124.35 2yrz s LEU 24 Ca 0.45 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 2yrz s LEU 24 Cb -0.19 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.19 2yrz s LEU 24 CO 0.79 -0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 176.32 2yrz s VAL 25 N -2.10 1.72 -0.17 -1.59 1.01 0.16 -4.89 120.40 114.55 2yrz s VAL 25 Ca 0.39 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2yrz s VAL 25 Cb -0.09 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2yrz s VAL 25 CO 0.31 0.18 0.14 -0.36 0.00 0.00 0.00 175.10 175.38 2yrz s PHE 26 N 1.36 3.48 -0.22 5.22 0.40 -1.24 -1.26 117.98 125.72 2yrz s PHE 26 Ca -0.01 0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.73 2yrz s PHE 26 Cb -0.16 -2.09 -0.20 0.00 0.51 0.00 0.00 43.02 41.08 2yrz s PHE 26 CO -0.08 0.45 -0.05 0.45 0.70 0.00 0.00 175.22 176.69 2yrz n SER 27 N 2.96 2.03 -3.09 1.36 2.88 -0.89 -4.91 113.62 113.96 2yrz n SER 27 Ca -0.17 -0.03 -0.15 0.00 -1.33 0.00 0.00 58.87 57.20 2yrz n SER 27 Cb 0.53 -0.56 0.08 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 -3.19 -1.79 -0.07 -1.46 0.00 -1.26 -4.81 120.51 107.93 2yrz n ALA 28 Ca -0.42 -0.04 0.22 0.00 0.00 0.00 0.00 53.44 53.21 2yrz n ALA 28 Cb 1.01 -2.43 0.40 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.58 0.00 0.00 0.00 -0.00 -1.84 -3.43 115.31 108.46 2yrz h LEU 29 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 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 0.43 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.48 2yrz n GLY 30 N -1.64 1.04 0.19 0.83 0.00 -1.13 -4.93 105.19 99.55 2yrz n GLY 30 Ca 0.17 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.13 132.00 128.68 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 -0.06 0.25 -0.23 0.00 0.00 178.00 178.35 2yrz n THR 32 N -3.78 1.78 -4.01 1.56 -2.24 -1.26 -4.26 114.28 102.07 2yrz n THR 32 Ca -0.01 -2.16 -0.11 0.00 -2.27 0.00 0.00 64.05 59.49 2yrz n THR 32 Cb 0.46 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.45 0.23 3.42 1.04 -1.19 -1.76 113.70 113.13 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 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2yrz s SER 33 CO 0.02 -0.22 0.56 -0.76 0.98 0.00 0.00 173.24 173.82 2yrz s LEU 34 N -1.28 0.08 -0.25 2.42 1.43 0.31 -2.83 118.68 118.56 2yrz s LEU 34 Ca -0.11 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 2yrz s LEU 34 Cb -0.09 2.16 0.11 0.00 0.03 0.00 0.00 46.19 48.41 2yrz s LEU 34 CO -0.00 -1.16 0.26 -0.60 0.23 0.00 0.00 176.35 175.07 2yrz s ARG 35 N -3.94 0.26 -0.15 1.70 3.52 -1.26 0.54 118.95 119.62 2yrz s ARG 35 Ca 0.14 0.02 -0.17 0.00 -0.13 0.00 0.00 55.73 55.60 2yrz s ARG 35 Cb -0.02 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.40 2yrz s ARG 35 CO 0.04 -0.84 0.42 0.08 -0.81 0.00 0.00 175.30 174.18 2yrz s VAL 36 N 2.34 5.22 -0.07 7.11 1.01 0.37 -2.09 120.40 134.29 2yrz s VAL 36 Ca 0.09 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.89 2yrz s VAL 36 Cb -0.15 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2yrz s VAL 36 CO -0.23 0.32 -0.09 -0.55 0.00 0.00 0.00 175.10 174.55 2yrz s SER 37 N 0.68 1.65 0.27 3.32 0.15 -0.39 -0.59 113.70 118.79 2yrz s SER 37 Ca 0.22 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.64 2yrz s SER 37 Cb -0.14 -0.73 0.02 0.00 -1.71 0.00 0.00 66.02 63.46 2yrz s SER 37 CO 0.08 -0.02 0.17 -2.67 1.20 0.00 0.00 173.24 171.99 2yrz n TRP 38 N 4.12 -0.75 -4.43 3.44 2.14 -0.24 -0.67 117.44 121.07 2yrz n TRP 38 Ca -0.21 -1.18 -0.32 0.00 2.07 0.00 0.00 57.50 57.86 2yrz n TRP 38 Cb 0.51 -0.21 -0.16 0.00 -0.81 0.00 0.00 31.31 30.63 2yrz n TRP 38 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2yrz s GLN 39 N -3.09 2.83 -0.66 -2.67 2.00 -1.26 -4.82 119.66 111.98 2yrz s GLN 39 Ca 0.13 -0.78 -0.34 0.00 -2.00 0.00 0.00 55.36 52.37 2yrz s GLN 39 Cb -0.01 -2.36 -0.16 0.00 0.80 0.00 0.00 33.01 31.27 2yrz s GLN 39 CO 0.08 -0.10 2.42 -1.91 -0.50 0.00 0.00 175.29 175.28 2yrz n GLU 40 N 4.31 0.42 -1.15 1.67 2.13 -1.26 -4.14 120.64 122.61 2yrz n GLU 40 Ca -0.20 0.07 -0.29 0.00 0.66 0.00 0.00 57.16 57.40 2yrz n GLU 40 Cb 0.51 -2.04 0.19 0.00 0.27 0.00 0.00 31.44 30.37 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 7.61 0.21 0.30 5.31 0.04 -1.26 -4.99 135.00 142.23 2yrz s PRO 41 Ca 1.20 0.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2yrz s PRO 41 Cb -1.04 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 2yrz s PRO 41 CO 0.49 -2.86 1.17 -0.98 0.04 0.00 0.00 177.00 174.86 2yrz s ARG 42 N -4.99 4.52 -0.30 4.56 1.70 -1.26 -4.83 118.95 118.36 2yrz s ARG 42 Ca 0.66 1.94 -0.10 0.00 -0.47 0.00 0.00 55.73 57.75 2yrz s ARG 42 Cb -0.18 -3.13 0.16 0.00 -0.57 0.00 0.00 34.95 31.24 2yrz s ARG 42 CO 0.58 0.06 0.83 0.00 -1.08 0.00 0.00 175.30 175.69 2yrz h GLU 44 N 7.82 0.00 -6.23 0.00 5.08 -1.85 -3.41 114.58 115.98 2yrz h GLU 44 Ca -0.17 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.59 2yrz h GLU 44 Cb 1.13 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 2yrz h GLU 44 CO 0.09 0.00 -0.60 1.03 -1.00 0.00 0.00 179.01 178.54 2yrz s ARG 45 N -4.76 2.79 0.00 2.33 1.81 -1.25 -5.08 118.95 114.79 2yrz s ARG 45 Ca -0.05 -0.86 -0.30 0.00 -1.72 0.00 0.00 55.73 52.80 2yrz s ARG 45 Cb 0.16 -2.61 -0.06 0.00 -0.45 0.00 0.00 34.95 31.99 2yrz s ARG 45 CO 0.60 0.50 1.45 -1.25 -0.68 0.00 0.00 175.30 175.92 2yrz s PRO 46 N -2.84 4.26 0.52 3.54 0.04 -1.26 -4.84 135.00 134.42 2yrz s PRO 46 Ca 0.30 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 2yrz s PRO 46 Cb -0.11 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 2yrz s PRO 46 CO 0.22 -0.62 1.28 -0.51 0.04 0.00 0.00 177.00 177.41 2yrz s LEU 47 N 2.57 3.88 -0.07 -3.56 1.43 -1.26 -3.60 118.68 118.07 2yrz s LEU 47 Ca 0.65 2.59 0.20 0.00 -1.03 0.00 0.00 54.13 56.54 2yrz s LEU 47 Cb -0.32 -4.29 -0.31 0.00 0.03 0.00 0.00 46.19 41.30 2yrz s LEU 47 CO 0.27 -1.37 0.36 0.00 0.23 0.00 0.00 176.35 175.84 2yrz n GLN 48 N -0.91 0.68 -2.19 1.70 1.13 0.04 -4.65 117.38 113.17 2yrz n GLN 48 Ca 0.10 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2yrz n GLN 48 Cb 0.46 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.31 2yrz n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2yrz n GLY 49 N 1.43 -0.62 3.37 1.08 0.00 -1.21 -3.79 105.19 105.45 2yrz n GLY 49 Ca -0.11 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.30 0.23 -0.06 1.61 2.02 -1.09 -3.15 117.35 113.61 2yrz s TYR 50 Ca 0.00 -0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 2yrz s TYR 50 Cb 0.00 0.06 0.03 0.00 -0.40 0.00 0.00 41.96 41.65 2yrz s TYR 50 CO 0.00 -0.75 -0.01 0.45 -1.57 0.00 0.00 175.55 173.67 2yrz s SER 51 N -2.93 1.23 -0.42 2.29 0.15 -0.04 -0.00 113.70 113.98 2yrz s SER 51 Ca 0.14 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.71 2yrz s SER 51 Cb 0.02 -0.39 0.11 0.00 -1.71 0.00 0.00 66.02 64.05 2yrz s SER 51 CO -0.02 -0.15 0.18 -0.69 1.20 0.00 0.00 173.24 173.76 2yrz s VAL 52 N 1.58 2.85 -0.18 4.45 1.01 0.77 0.07 120.40 130.94 2yrz s VAL 52 Ca -0.01 -2.43 -0.14 0.00 0.00 0.00 0.00 61.98 59.40 2yrz s VAL 52 Cb -0.13 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2yrz s VAL 52 CO -0.03 -0.69 0.29 -1.61 0.00 0.00 0.00 175.10 173.06 2yrz s GLU 53 N 0.74 4.22 0.03 2.72 2.02 -0.95 -1.58 118.70 125.90 2yrz s GLU 53 Ca 0.11 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.19 2yrz s GLU 53 Cb -0.21 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2yrz s GLU 53 CO -0.05 0.16 -0.08 1.52 0.02 0.00 0.00 175.26 176.83 2yrz s TYR 54 N 0.72 0.70 -0.09 1.61 -0.85 -0.81 -0.12 117.35 118.51 2yrz s TYR 54 Ca 0.16 -0.37 -0.30 0.00 -0.52 0.00 0.00 57.07 56.04 2yrz s TYR 54 Cb -0.13 -0.43 0.11 0.00 0.38 0.00 0.00 41.96 41.89 2yrz s TYR 54 CO 0.04 -0.04 0.89 1.14 -1.52 0.00 0.00 175.55 176.06 2yrz s GLN 55 N -1.13 0.77 -0.36 -3.49 -2.07 -1.20 -1.01 119.66 111.18 2yrz s GLN 55 Ca -0.05 0.04 -0.42 0.00 -1.82 0.00 0.00 55.36 53.11 2yrz s GLN 55 Cb -0.08 0.36 -0.17 0.00 -1.09 0.00 0.00 33.01 32.04 2yrz s GLN 55 CO 0.00 -0.27 1.78 1.28 -1.32 0.00 0.00 175.29 176.77 2yrz n LEU 56 N 0.49 1.95 -0.33 2.60 4.77 -1.26 -0.78 117.00 124.44 2yrz n LEU 56 Ca -0.12 1.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.89 2yrz n LEU 56 Cb 0.59 -1.07 0.09 0.00 -2.33 0.00 0.00 43.42 40.70 2yrz n LEU 56 CO 0.16 -0.58 0.65 0.25 -1.33 0.00 0.00 177.39 176.54 2yrz h LEU 57 N 7.29 -1.05 -0.48 2.23 5.85 -1.04 0.39 115.31 128.49 2yrz h LEU 57 Ca -0.41 0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.63 2yrz h LEU 57 Cb 1.34 0.62 -0.04 0.00 0.37 0.00 0.00 40.66 42.95 2yrz h LEU 57 CO 0.98 -0.30 0.25 -0.55 -0.34 0.00 0.00 178.44 178.49 2yrz h ASN 58 N -0.02 0.37 0.00 1.25 7.08 -1.87 -3.47 115.58 118.92 2yrz h ASN 58 Ca 0.39 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.64 2yrz h ASN 58 Cb 0.64 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.83 2yrz h ASN 58 CO -0.93 0.26 0.00 0.61 -2.08 0.00 0.00 177.43 175.29 2yrz n GLY 59 N -1.24 2.50 0.00 9.14 0.00 0.14 -5.18 105.19 110.54 2yrz n GLY 59 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 3.41 3.78 -0.02 0.00 -1.24 -4.93 105.19 106.19 2yrz n GLY 60 Ca 0.00 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 2.75 4.00 -0.26 1.61 2.12 -1.26 -4.89 118.70 122.77 2yrz s GLU 61 Ca 0.00 0.04 -0.09 0.00 0.36 0.00 0.00 54.97 55.28 2yrz s GLU 61 Cb 0.00 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2yrz s GLU 61 CO 0.00 0.45 0.11 -1.17 -0.54 0.00 0.00 175.26 174.11 2yrz s LEU 62 N -0.15 3.66 -0.24 2.70 1.98 -1.26 -3.99 118.68 121.38 2yrz s LEU 62 Ca 0.16 -0.13 -0.05 0.00 -2.89 0.00 0.00 54.13 51.22 2yrz s LEU 62 Cb -0.13 -1.99 -0.01 0.00 0.66 0.00 0.00 46.19 44.72 2yrz s LEU 62 CO 0.04 -0.03 -0.00 -1.00 -1.89 0.00 0.00 176.35 173.47 2yrz s HIS 63 N 1.62 3.02 -0.25 5.38 3.76 -0.18 -4.97 115.29 123.67 2yrz s HIS 63 Ca 0.06 -0.85 -0.13 0.00 -0.15 0.00 0.00 55.06 54.00 2yrz s HIS 63 Cb -0.15 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2yrz s HIS 63 CO 0.06 -0.51 0.29 0.50 -0.85 0.00 0.00 174.74 174.22 2yrz s ARG 64 N 1.51 4.05 -0.22 1.40 3.52 -1.26 -1.92 118.95 126.02 2yrz s ARG 64 Ca 0.05 -0.08 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 2yrz s ARG 64 Cb -0.15 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 2yrz s ARG 64 CO -0.01 -0.12 0.02 -0.51 -0.81 0.00 0.00 175.30 173.87 2yrz s LEU 65 N 1.58 3.25 -0.04 -0.88 1.43 -0.61 -4.95 118.68 118.45 2yrz s LEU 65 Ca 0.12 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 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 0.08 0.01 0.23 0.20 0.23 0.00 0.00 176.35 177.11 2yrz s ASN 66 N 1.30 6.49 -0.35 2.29 0.01 -1.26 -0.16 114.94 123.25 2yrz s ASN 66 Ca 0.04 0.57 -0.03 0.00 -0.71 0.00 0.00 52.86 52.73 2yrz s ASN 66 Cb -0.15 -2.10 0.08 0.00 0.41 0.00 0.00 41.25 39.49 2yrz s ASN 66 CO 0.01 0.32 0.11 -0.63 -1.51 0.00 0.00 177.10 175.40 2yrz s ILE 67 N -1.17 3.23 -2.00 0.60 -1.09 0.99 -4.95 121.20 116.81 2yrz s ILE 67 Ca 0.22 -1.66 0.11 0.00 -2.23 0.00 0.00 60.65 57.10 2yrz s ILE 67 Cb -0.13 -3.02 0.31 0.00 -1.58 0.00 0.00 42.46 38.04 2yrz s ILE 67 CO 0.11 -0.38 1.08 -0.81 -1.23 0.00 0.00 174.94 173.71 2yrz n PRO 68 N 4.63 0.49 -3.92 2.79 -0.04 -1.26 -2.67 135.00 135.02 2yrz n PRO 68 Ca -0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 2yrz n PRO 68 Cb 0.43 -1.35 -0.16 0.00 -0.04 0.00 0.00 33.50 32.38 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 3.11 0.00 3.54 2.47 -1.26 -4.90 114.94 116.04 2yrz s ASN 69 Ca 0.16 -0.79 0.15 0.00 0.42 0.00 0.00 52.86 52.80 2yrz s ASN 69 Cb 0.07 -1.01 0.73 0.00 -1.45 0.00 0.00 41.25 39.59 2yrz s ASN 69 CO 0.13 -0.19 1.42 -0.81 -3.72 0.00 0.00 177.10 173.93 2yrz n PRO 70 N 4.81 0.18 -0.04 0.43 -0.04 -1.25 -2.33 135.00 136.75 2yrz n PRO 70 Ca -0.12 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 2yrz n PRO 70 Cb 0.47 -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 -1.32 1.79 -2.23 0.55 0.00 -1.26 -4.82 120.51 113.22 2yrz n ALA 71 Ca 0.06 -0.95 -0.39 0.00 0.00 0.00 0.00 53.44 52.16 2yrz n ALA 71 Cb 0.13 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.76 2.84 -0.50 0.00 0.74 -0.98 -4.83 119.66 114.18 2yrz s GLN 72 Ca -0.07 0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.63 2yrz s GLN 72 Cb 0.08 -4.33 0.62 0.00 1.10 0.00 0.00 33.01 30.48 2yrz s GLN 72 CO 0.84 -2.52 1.94 0.25 -0.55 0.00 0.00 175.29 175.24 2yrz n THR 73 N 6.91 3.29 -3.65 -0.34 -2.24 -1.26 -4.89 114.28 112.10 2yrz n THR 73 Ca 0.14 -2.17 -0.10 0.00 -2.27 0.00 0.00 64.05 59.65 2yrz n THR 73 Cb 0.51 -0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.45 -0.78 0.01 3.42 1.04 -1.26 -1.08 113.70 113.61 2yrz s SER 74 Ca 0.59 1.35 0.01 0.00 0.48 0.00 0.00 55.95 58.38 2yrz s SER 74 Cb 0.49 1.29 -0.01 0.00 0.10 0.00 0.00 66.02 67.88 2yrz s SER 74 CO 0.08 -0.23 -0.05 0.54 0.98 0.00 0.00 173.24 174.57 2yrz s VAL 75 N 1.05 0.32 -0.27 5.02 0.11 0.24 -4.99 120.40 121.88 2yrz s VAL 75 Ca -0.06 -0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 58.33 2yrz s VAL 75 Cb -0.05 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 2yrz s VAL 75 CO -0.10 -0.14 0.34 -0.69 -3.33 0.00 0.00 175.10 171.18 2yrz s VAL 76 N -0.65 5.20 -0.25 2.04 1.01 -1.26 -0.47 120.40 126.02 2yrz s VAL 76 Ca -0.04 0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 2yrz s VAL 76 Cb -0.05 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2yrz s VAL 76 CO -0.00 0.18 0.13 -0.69 0.00 0.00 0.00 175.10 174.72 2yrz s VAL 77 N 1.96 4.88 0.45 2.92 1.01 0.19 -4.92 120.40 126.89 2yrz s VAL 77 Ca 0.14 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2yrz s VAL 77 Cb -0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2yrz s VAL 77 CO 0.10 0.32 0.11 -0.62 0.00 0.00 0.00 175.10 175.01 2yrz n GLU 78 N 4.73 0.61 -3.07 2.72 1.02 -1.26 0.11 120.64 125.50 2yrz n GLU 78 Ca -0.15 -3.66 -0.13 0.00 -0.02 0.00 0.00 57.16 53.19 2yrz n GLU 78 Cb 0.52 1.72 0.04 0.00 -0.02 0.00 0.00 31.44 33.70 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 -1.45 -4.36 -4.99 1.62 8.00 -0.72 -4.97 116.55 109.67 2yrz n ASP 79 Ca -0.10 -0.28 -0.21 0.00 0.71 0.00 0.00 54.79 54.90 2yrz n ASP 79 Cb 0.65 -2.96 0.04 0.00 -0.02 0.00 0.00 41.12 38.83 2yrz n ASP 79 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yrz s LEU 80 N -4.38 3.05 -0.09 0.64 1.43 -1.24 -5.10 118.68 112.98 2yrz s LEU 80 Ca 0.31 -0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2yrz s LEU 80 Cb -0.14 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2yrz s LEU 80 CO 0.38 -1.22 0.04 -0.76 0.23 0.00 0.00 176.35 175.02 2yrz s LEU 81 N -4.52 3.78 0.47 1.79 1.43 -1.26 -4.71 118.68 115.65 2yrz s LEU 81 Ca 0.54 0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 2yrz s LEU 81 Cb -0.05 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 2yrz s LEU 81 CO 0.34 0.38 1.16 -2.16 0.23 0.00 0.00 176.35 176.30 2yrz s PRO 82 N -0.91 3.71 -1.45 1.29 0.04 -1.26 -3.43 135.00 133.00 2yrz s PRO 82 Ca 0.14 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 2yrz s PRO 82 Cb -0.11 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.12 2yrz s PRO 82 CO 0.03 -0.58 0.94 0.09 0.04 0.00 0.00 177.00 177.51 2yrz n ASN 83 N -0.58 -4.04 -3.89 6.66 5.03 -1.20 -4.98 115.26 112.26 2yrz n ASN 83 Ca 0.08 -0.75 -0.16 0.00 0.87 0.00 0.00 54.58 54.62 2yrz n ASN 83 Cb 0.48 -4.11 -0.15 0.00 -1.02 0.00 0.00 39.78 34.99 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 -3.40 0.33 0.17 3.10 3.76 -1.22 -4.93 115.29 113.11 2yrz s HIS 84 Ca 0.47 -0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 55.13 2yrz s HIS 84 Cb -0.23 -0.30 -0.08 0.00 1.11 0.00 0.00 32.58 33.08 2yrz s HIS 84 CO 0.81 -0.06 0.70 -1.54 -0.85 0.00 0.00 174.74 173.81 2yrz s SER 85 N 0.34 7.15 -0.06 1.40 1.04 -1.26 -3.50 113.70 118.82 2yrz s SER 85 Ca -0.03 1.45 -0.01 0.00 0.48 0.00 0.00 55.95 57.84 2yrz s SER 85 Cb -0.06 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.66 2yrz s SER 85 CO -0.01 0.13 -0.00 -0.31 0.98 0.00 0.00 173.24 174.04 2yrz s TYR 86 N -1.33 0.58 -0.65 5.02 2.02 -0.97 -0.40 117.35 121.61 2yrz s TYR 86 Ca 0.38 -0.11 -0.27 0.00 -0.37 0.00 0.00 57.07 56.70 2yrz s TYR 86 Cb -0.19 -0.69 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 2yrz s TYR 86 CO 0.22 -0.27 1.21 0.54 -1.57 0.00 0.00 175.55 175.68 2yrz s VAL 87 N 1.69 3.92 -0.53 0.71 0.11 0.04 -2.22 120.40 124.12 2yrz s VAL 87 Ca 0.00 0.58 -0.21 0.00 -2.93 0.00 0.00 61.98 59.43 2yrz s VAL 87 Cb -0.13 -4.80 0.06 0.00 -1.53 0.00 0.00 36.38 29.98 2yrz s VAL 87 CO -0.04 -1.57 0.73 -0.36 -3.33 0.00 0.00 175.10 170.53 2yrz s PHE 88 N 5.21 2.96 -0.45 1.54 0.40 0.38 -3.24 117.98 124.78 2yrz s PHE 88 Ca 0.38 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 56.19 2yrz s PHE 88 Cb -0.08 -3.74 0.10 0.00 0.51 0.00 0.00 43.02 39.80 2yrz s PHE 88 CO 0.20 -1.16 0.32 1.03 0.70 0.00 0.00 175.22 176.30 2yrz s ARG 89 N 3.06 2.60 0.10 0.44 0.52 0.82 -1.43 118.95 125.06 2yrz s ARG 89 Ca 0.19 -1.59 -0.24 0.00 -0.52 0.00 0.00 55.73 53.57 2yrz s ARG 89 Cb -0.17 -3.89 -0.07 0.00 0.52 0.00 0.00 34.95 31.33 2yrz s ARG 89 CO 0.14 -1.08 0.72 0.08 0.02 0.00 0.00 175.30 175.18 2yrz s VAL 90 N 1.42 4.57 0.10 3.52 1.01 -0.87 -2.24 120.40 127.92 2yrz s VAL 90 Ca 0.04 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.61 2yrz s VAL 90 Cb -0.25 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2yrz s VAL 90 CO 0.01 0.48 -0.08 -0.60 0.00 0.00 0.00 175.10 174.91 2yrz s ARG 91 N -0.78 0.83 0.18 2.72 3.52 0.11 -1.26 118.95 124.27 2yrz s ARG 91 Ca 0.35 -1.25 0.11 0.00 -0.13 0.00 0.00 55.73 54.81 2yrz s ARG 91 Cb -0.21 -0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 32.80 2yrz s ARG 91 CO 0.23 0.02 -0.20 0.00 -0.81 0.00 0.00 175.30 174.55 2yrz s ALA 92 N -3.08 2.65 -0.03 6.12 0.00 -1.25 -0.86 121.76 125.31 2yrz s ALA 92 Ca 0.09 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2yrz s ALA 92 Cb 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2yrz s ALA 92 CO -0.02 0.46 -0.05 -1.14 0.00 0.00 0.00 175.76 175.00 2yrz s GLN 93 N -2.64 0.69 0.28 0.00 0.74 -1.19 -2.72 119.66 114.82 2yrz s GLN 93 Ca 0.21 -0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.50 2yrz s GLN 93 Cb -0.08 -0.69 -0.06 0.00 1.10 0.00 0.00 33.01 33.28 2yrz s GLN 93 CO 0.11 0.01 0.05 -1.54 -0.55 0.00 0.00 175.29 173.37 2yrz s SER 94 N 0.46 1.88 0.55 6.67 1.04 -1.13 -0.78 113.70 122.39 2yrz s SER 94 Ca -0.06 -1.33 0.41 0.00 0.48 0.00 0.00 55.95 55.45 2yrz s SER 94 Cb -0.10 0.01 1.41 0.00 0.10 0.00 0.00 66.02 67.44 2yrz s SER 94 CO -0.00 -0.61 1.41 1.67 0.98 0.00 0.00 173.24 176.69 2yrz n GLN 95 N -0.54 0.00 0.01 4.02 7.27 -1.24 -1.00 117.38 125.90 2yrz n GLN 95 Ca -0.02 1.02 -0.00 0.00 0.07 0.00 0.00 57.00 58.06 2yrz n GLN 95 Cb 0.66 -2.40 -0.00 0.00 2.41 0.00 0.00 30.24 30.90 2yrz n GLN 95 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2yrz h GLU 96 N 0.00 -0.03 0.00 3.69 4.39 -1.92 -3.51 114.58 117.20 2yrz h GLU 96 Ca 0.76 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.47 2yrz h GLU 96 Cb 3.37 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 32.02 2yrz h GLU 96 CO -0.01 -0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.23 2yrz n GLY 97 N 1.45 -1.28 3.68 -3.84 0.00 -0.17 -5.03 105.19 99.99 2yrz n GLY 97 Ca -0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.98 3.08 0.00 1.61 0.52 -1.26 -2.84 118.94 117.07 2yrz s TRP 98 Ca 0.00 1.17 0.00 0.00 0.02 0.00 0.00 56.10 57.29 2yrz s TRP 98 Cb 0.00 -3.43 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 2yrz s TRP 98 CO 0.00 -1.37 0.00 0.41 0.02 0.00 0.00 176.95 176.01 2yrz n GLY 99 N 3.44 0.70 3.99 0.98 0.00 -1.10 -4.96 105.19 108.23 2yrz n GLY 99 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 1.95 2.73 0.00 1.61 1.81 -1.17 -4.92 118.95 120.96 2yrz s ARG 100 Ca 0.00 -0.93 0.01 0.00 -1.72 0.00 0.00 55.73 53.09 2yrz s ARG 100 Cb 0.00 -2.61 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 2yrz s ARG 100 CO 0.00 -0.46 -0.04 -1.83 -0.68 0.00 0.00 175.30 172.29 2yrz s GLU 101 N -4.56 0.29 0.00 3.54 -1.05 -1.26 -3.90 118.70 111.76 2yrz s GLU 101 Ca 0.55 -0.21 -0.17 0.00 -0.15 0.00 0.00 54.97 55.00 2yrz s GLU 101 Cb -0.10 -0.24 -0.06 0.00 -0.44 0.00 0.00 34.13 33.29 2yrz s GLU 101 CO 0.36 0.06 0.46 0.50 0.95 0.00 0.00 175.26 177.59 2yrz s ARG 102 N -0.30 4.07 -0.07 -4.83 6.06 -0.39 -4.88 118.95 118.61 2yrz s ARG 102 Ca -0.01 0.51 -0.14 0.00 -2.50 0.00 0.00 55.73 53.59 2yrz s ARG 102 Cb -0.03 -3.26 -0.05 0.00 0.06 0.00 0.00 34.95 31.67 2yrz s ARG 102 CO -0.00 0.59 0.37 -2.00 -2.50 0.00 0.00 175.30 171.76 2yrz s GLU 103 N -0.81 4.02 -0.29 5.12 2.12 -1.26 -2.04 118.70 125.56 2yrz s GLU 103 Ca 0.26 0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.91 2yrz s GLU 103 Cb -0.17 -3.30 0.18 0.00 0.26 0.00 0.00 34.13 31.10 2yrz s GLU 103 CO 0.14 0.51 0.54 0.20 -0.54 0.00 0.00 175.26 176.11 2yrz s GLY 104 N -0.45 -0.98 0.03 -1.50 0.00 -0.52 -4.85 107.32 99.06 2yrz s GLY 104 Ca 0.22 1.08 -0.10 0.00 0.00 0.00 0.00 44.72 45.92 2yrz s GLY 104 CO 0.10 3.38 0.34 0.54 0.00 0.00 0.00 173.10 177.47 2yrz s VAL 105 N 2.75 5.17 0.07 1.40 0.11 -1.26 -0.47 120.40 128.17 2yrz s VAL 105 Ca 0.13 0.42 0.08 0.00 -2.93 0.00 0.00 61.98 59.68 2yrz s VAL 105 Cb -0.12 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 2yrz s VAL 105 CO -0.25 0.39 -0.22 -0.51 -3.33 0.00 0.00 175.10 171.18 2yrz s ILE 106 N -1.28 1.79 -0.37 7.04 1.10 -0.94 -4.94 121.20 123.60 2yrz s ILE 106 Ca 0.28 -1.37 -0.03 0.00 -0.51 0.00 0.00 60.65 59.02 2yrz s ILE 106 Cb -0.14 -1.58 0.08 0.00 0.15 0.00 0.00 42.46 40.98 2yrz s ILE 106 CO 0.16 0.14 0.14 -0.89 -2.11 0.00 0.00 174.94 172.38 2yrz s THR 107 N -0.92 3.29 -0.24 4.00 2.01 -1.26 -2.29 115.64 120.23 2yrz s THR 107 Ca 0.08 -1.74 -0.33 0.00 0.31 0.00 0.00 61.69 60.01 2yrz s THR 107 Cb -0.09 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 2yrz s THR 107 CO 0.03 -0.46 2.09 -0.38 -0.69 0.00 0.00 174.62 175.20 2yrz n ILE 108 N 4.64 0.35 -4.04 1.82 2.08 -1.23 -4.93 119.36 118.05 2yrz n ILE 108 Ca -0.07 -0.25 -0.32 0.00 0.56 0.00 0.00 62.75 62.68 2yrz n ILE 108 Cb 0.42 -1.91 -0.15 0.00 -0.75 0.00 0.00 39.64 37.25 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 5.51 1.99 0.28 0.38 2.02 -1.26 -3.26 118.70 124.37 2yrz s GLU 109 Ca 1.02 -1.38 0.06 0.00 0.02 0.00 0.00 54.97 54.70 2yrz s GLU 109 Cb -0.70 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2yrz s GLU 109 CO 0.47 -0.64 0.32 0.45 0.02 0.00 0.00 175.26 175.88 2yrz s SER 110 N 1.12 5.81 -0.95 -0.19 0.15 -1.26 -4.60 113.70 113.77 2yrz s SER 110 Ca -0.05 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 2yrz s SER 110 Cb -0.20 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2yrz s SER 110 CO -0.06 -0.19 0.81 1.67 1.20 0.00 0.00 173.24 176.67 2yrz n GLN 111 N -1.38 -5.40 -3.78 5.44 7.27 -1.26 -5.02 117.38 113.26 2yrz n GLN 111 Ca -0.06 0.64 -0.26 0.00 0.07 0.00 0.00 57.00 57.39 2yrz n GLN 111 Cb 0.58 -5.05 -0.17 0.00 2.41 0.00 0.00 30.24 28.01 2yrz n GLN 111 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2yrz s VAL 112 N -3.26 0.55 -0.55 1.69 1.01 -1.26 -5.02 120.40 113.56 2yrz s VAL 112 Ca 0.17 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2yrz s VAL 112 Cb -0.07 -0.86 0.43 0.00 0.00 0.00 0.00 36.38 35.89 2yrz s VAL 112 CO 0.55 0.05 1.66 -1.54 0.00 0.00 0.00 175.10 175.82 2yrz n SER 113 N 5.07 6.45 0.00 3.32 3.41 -1.26 -5.07 113.62 125.54 2yrz n SER 113 Ca -0.09 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.75 2yrz n SER 113 Cb 0.49 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2yrz n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrz n GLY 114 N -0.75 0.86 3.25 5.00 0.00 -1.26 -4.79 105.19 107.51 2yrz n GLY 114 Ca 0.53 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2yrz n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yrz n PRO 115 N 0.00 -3.01 -3.58 1.61 -0.04 -1.26 -5.07 135.00 123.65 2yrz n PRO 115 Ca 0.00 -1.62 -0.25 0.00 -0.04 0.00 0.00 63.50 61.59 2yrz n PRO 115 Cb 0.00 -1.52 -0.16 0.00 -0.04 0.00 0.00 33.50 31.78 2yrz n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yrz s SER 116 N -4.23 2.36 0.27 3.54 0.15 -1.26 -5.13 113.70 109.40 2yrz s SER 116 Ca 0.66 -0.66 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 2yrz s SER 116 Cb -0.06 -0.14 -0.10 0.00 -1.71 0.00 0.00 66.02 64.00 2yrz s SER 116 CO 0.51 -0.36 1.39 -0.55 1.20 0.00 0.00 173.24 175.42 2yrz s SER 117 N 2.17 6.70 0.00 5.45 0.15 -1.26 -5.31 113.70 121.60 2yrz s SER 117 Ca 0.04 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.35 2yrz s SER 117 Cb -0.16 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2yrz s SER 117 CO -0.14 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.27