#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrz h SER 2 N 0.00 -0.13 -6.85 1.61 0.02 -2.04 -3.45 113.55 102.72 2yrz h SER 2 Ca 0.00 0.14 -0.57 0.00 -0.84 0.00 0.00 61.79 60.52 2yrz h SER 2 Cb 0.00 0.23 -0.32 0.00 0.14 0.00 0.00 62.40 62.45 2yrz h SER 2 CO 0.00 -0.07 -0.84 -1.54 -1.14 0.00 0.00 176.83 173.24 2yrz n SER 3 N -5.21 -1.11 -3.61 3.07 3.41 -1.26 -1.11 113.62 107.80 2yrz n SER 3 Ca 0.11 -1.14 -0.22 0.00 -0.26 0.00 0.00 58.87 57.36 2yrz n SER 3 Cb 0.39 -1.45 0.01 0.00 -0.26 0.00 0.00 64.21 62.89 2yrz n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrz n GLY 4 N -1.33 -1.19 0.32 5.00 0.00 -1.26 -4.93 105.19 101.80 2yrz n GLY 4 Ca 0.02 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 2yrz n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrz n SER 5 N -2.39 2.04 -4.52 1.61 3.41 -0.27 -4.93 113.62 108.59 2yrz n SER 5 Ca -0.18 0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 2yrz n SER 5 Cb 0.61 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 2yrz n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yrz s SER 6 N -5.58 6.35 0.00 4.04 0.15 -1.26 -4.70 113.70 112.70 2yrz s SER 6 Ca -0.16 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2yrz s SER 6 Cb 0.05 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2yrz s SER 6 CO 0.24 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 174.21 2yrz n GLY 7 N 5.08 -1.88 3.05 9.45 0.00 -1.26 -5.07 105.19 114.56 2yrz n GLY 7 Ca 0.01 0.78 -0.34 0.00 0.00 0.00 0.00 46.02 46.47 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 2.00 5.23 -0.06 1.61 0.15 -1.26 -5.04 113.70 116.33 2yrz s SER 8 Ca 0.00 -3.27 -0.22 0.00 0.70 0.00 0.00 55.95 53.16 2yrz s SER 8 Cb 0.00 -1.80 0.05 0.00 -1.71 0.00 0.00 66.02 62.55 2yrz s SER 8 CO 0.00 -0.25 0.50 -2.28 1.20 0.00 0.00 173.24 172.40 2yrz s HIS 9 N -0.66 -0.44 -0.75 3.44 5.65 -1.26 -5.08 115.29 116.18 2yrz s HIS 9 Ca 0.21 0.80 0.03 0.00 0.25 0.00 0.00 55.06 56.34 2yrz s HIS 9 Cb -0.15 0.24 0.33 0.00 -1.18 0.00 0.00 32.58 31.82 2yrz s HIS 9 CO -0.07 -0.47 1.31 -0.40 -0.65 0.00 0.00 174.74 174.47 2yrz n ASP 10 N 1.35 5.67 0.00 9.88 5.68 -1.26 -4.86 116.55 133.00 2yrz n ASP 10 Ca -0.19 -3.69 0.00 0.00 -0.50 0.00 0.00 54.79 50.40 2yrz n ASP 10 Cb 0.56 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 2yrz n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2yrz n SER 11 N -0.19 0.00 -1.81 -1.12 2.88 -1.26 -3.80 113.62 108.32 2yrz n SER 11 Ca 0.38 0.66 -0.08 0.00 -1.33 0.00 0.00 58.87 58.49 2yrz n SER 11 Cb 0.34 -0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 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 -1.81 1.58 -4.11 -1.46 3.00 -1.26 -4.81 116.66 107.78 2yrz n ARG 12 Ca 0.00 -0.70 -0.14 0.00 -0.00 0.00 0.00 57.85 57.01 2yrz n ARG 12 Cb 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 32.46 30.86 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 -0.29 1.00 0.13 6.15 1.43 -1.25 -5.15 118.68 120.70 2yrz s LEU 13 Ca 0.34 -1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 51.78 2yrz s LEU 13 Cb 0.18 1.25 -0.07 0.00 0.03 0.00 0.00 46.19 47.57 2yrz s LEU 13 CO -0.02 -1.17 0.79 0.42 0.23 0.00 0.00 176.35 176.60 2yrz s THR 14 N -3.44 4.47 0.00 5.49 -4.23 -1.26 -4.95 115.64 111.72 2yrz s THR 14 Ca 0.32 1.72 0.00 0.00 -1.18 0.00 0.00 61.69 62.55 2yrz s THR 14 Cb 0.01 -4.15 0.00 0.00 1.34 0.00 0.00 72.50 69.70 2yrz s THR 14 CO 0.18 0.46 0.00 0.00 -0.54 0.00 0.00 174.62 174.72 2yrz n ALA 15 N 2.02 2.65 -0.61 3.99 0.00 -1.26 -4.79 120.51 122.51 2yrz n ALA 15 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 2yrz n ALA 15 Cb 0.49 0.37 -0.05 0.00 0.00 0.00 0.00 19.45 20.25 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 2.72 2.49 3.71 0.00 0.00 -1.26 -4.84 105.19 108.00 2yrz n GLY 16 Ca 0.00 -0.39 -0.31 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 0.54 4.19 -0.20 1.61 -7.23 -1.26 -4.23 120.40 113.82 2yrz s VAL 17 Ca 0.21 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.29 2yrz s VAL 17 Cb 0.10 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2yrz s VAL 17 CO 0.00 0.21 1.60 -2.16 -0.31 0.00 0.00 175.10 174.44 2yrz s PRO 18 N -2.08 3.85 1.14 4.82 0.04 -1.26 -4.66 135.00 136.85 2yrz s PRO 18 Ca 0.24 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 2yrz s PRO 18 Cb -0.12 -4.02 0.18 0.00 0.04 0.00 0.00 34.50 30.59 2yrz s PRO 18 CO 0.16 -1.22 0.29 -3.47 0.04 0.00 0.00 177.00 172.80 2yrz n ASP 19 N 8.23 -2.81 -4.73 6.66 2.03 -0.37 -3.57 116.55 121.99 2yrz n ASP 19 Ca 0.18 -0.33 -0.42 0.00 0.52 0.00 0.00 54.79 54.75 2yrz n ASP 19 Cb 0.45 -0.91 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 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 -2.17 2.29 0.24 5.18 2.01 -1.26 -4.48 115.64 117.45 2yrz s THR 20 Ca 0.51 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 2yrz s THR 20 Cb -0.11 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 2yrz s THR 20 CO 0.54 0.03 1.27 -2.16 -0.69 0.00 0.00 174.62 173.60 2yrz s PRO 21 N 0.33 4.42 1.21 4.92 0.04 -1.26 -4.88 135.00 139.77 2yrz s PRO 21 Ca 0.67 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.59 2yrz s PRO 21 Cb -0.46 -3.16 0.24 0.00 0.04 0.00 0.00 34.50 31.16 2yrz s PRO 21 CO 0.39 -0.16 0.57 2.41 0.04 0.00 0.00 177.00 180.25 2yrz n THR 22 N 1.94 0.00 -0.92 1.26 -1.04 -1.26 -4.47 114.28 109.78 2yrz n THR 22 Ca 0.03 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.05 61.41 2yrz n THR 22 Cb 0.43 -0.81 0.07 0.00 -1.82 0.00 0.00 70.33 68.20 2yrz n THR 22 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2yrz n ARG 23 N -3.84 -0.15 -3.28 -2.82 1.85 -1.26 -4.59 116.66 102.57 2yrz n ARG 23 Ca 0.04 -0.03 -0.19 0.00 -1.00 0.00 0.00 57.85 56.67 2yrz n ARG 23 Cb 0.56 -1.30 -0.01 0.00 -1.05 0.00 0.00 32.46 30.65 2yrz n ARG 23 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2yrz s LEU 24 N 4.74 3.54 -0.15 2.89 1.43 -1.26 -4.51 118.68 125.37 2yrz s LEU 24 Ca 0.46 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2yrz s LEU 24 Cb -0.17 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2yrz s LEU 24 CO 0.76 -0.70 -0.03 -0.69 0.23 0.00 0.00 176.35 175.93 2yrz s VAL 25 N -2.40 0.83 -0.17 -1.59 1.01 -0.67 -4.91 120.40 112.50 2yrz s VAL 25 Ca 0.51 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 2yrz s VAL 25 Cb -0.07 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2yrz s VAL 25 CO 0.31 0.11 0.11 -0.36 0.00 0.00 0.00 175.10 175.27 2yrz s PHE 26 N 1.76 3.43 -0.24 5.22 0.08 -1.25 -1.69 117.98 125.29 2yrz s PHE 26 Ca 0.02 0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.44 2yrz s PHE 26 Cb -0.15 -2.06 -0.19 0.00 -0.57 0.00 0.00 43.02 40.06 2yrz s PHE 26 CO -0.07 0.42 -0.13 0.45 -0.10 0.00 0.00 175.22 175.78 2yrz n SER 27 N 2.96 1.74 -3.02 1.36 2.88 -0.94 -4.92 113.62 113.68 2yrz n SER 27 Ca -0.17 -0.09 -0.14 0.00 -1.33 0.00 0.00 58.87 57.14 2yrz n SER 27 Cb 0.53 -0.27 0.07 0.00 -0.75 0.00 0.00 64.21 63.79 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 -3.17 -1.94 -0.58 -1.46 0.00 -1.26 -4.83 120.51 107.27 2yrz n ALA 28 Ca -0.43 0.03 0.46 0.00 0.00 0.00 0.00 53.44 53.51 2yrz n ALA 28 Cb 1.02 -3.55 0.77 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.26 0.06 0.00 0.00 -0.00 -1.83 -3.44 115.31 108.83 2yrz h LEU 29 Ca -0.51 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2yrz h LEU 29 Cb 1.27 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 2yrz h LEU 29 CO 0.40 -0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.40 2yrz n GLY 30 N -1.80 1.69 0.18 0.83 0.00 -1.15 -4.95 105.19 100.01 2yrz n GLY 30 Ca 0.40 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.92 -3.16 132.00 128.67 2yrz h PRO 31 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2yrz h PRO 31 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2yrz h PRO 31 CO 0.00 0.40 -0.32 0.25 -0.23 0.00 0.00 178.00 178.10 2yrz n THR 32 N -3.81 1.78 -3.92 1.56 -2.24 -1.26 -4.30 114.28 102.08 2yrz n THR 32 Ca -0.01 -2.46 -0.10 0.00 -2.27 0.00 0.00 64.05 59.20 2yrz n THR 32 Cb 0.47 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.85 0.13 0.23 3.42 1.04 -1.19 -1.48 113.70 112.99 2yrz s SER 33 Ca 0.33 -0.35 -0.16 0.00 0.48 0.00 0.00 55.95 56.24 2yrz s SER 33 Cb 0.31 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2yrz s SER 33 CO -0.03 -0.34 0.55 -0.76 0.98 0.00 0.00 173.24 173.63 2yrz s LEU 34 N -1.44 0.11 -0.25 2.42 1.43 0.44 -2.92 118.68 118.47 2yrz s LEU 34 Ca -0.15 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.25 2yrz s LEU 34 Cb -0.09 2.12 0.11 0.00 0.03 0.00 0.00 46.19 48.37 2yrz s LEU 34 CO 0.00 -1.15 0.24 -0.60 0.23 0.00 0.00 176.35 175.08 2yrz s ARG 35 N -3.94 0.25 -0.16 1.70 3.52 -1.26 0.10 118.95 119.16 2yrz s ARG 35 Ca 0.14 -0.01 -0.14 0.00 -0.13 0.00 0.00 55.73 55.60 2yrz s ARG 35 Cb -0.02 -0.97 -0.05 0.00 -1.56 0.00 0.00 34.95 32.36 2yrz s ARG 35 CO 0.04 -0.84 0.30 0.08 -0.81 0.00 0.00 175.30 174.06 2yrz s VAL 36 N 2.32 5.30 -0.08 7.11 1.01 0.07 -2.22 120.40 133.91 2yrz s VAL 36 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2yrz s VAL 36 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2yrz s VAL 36 CO -0.23 0.39 -0.06 -0.94 0.00 0.00 0.00 175.10 174.25 2yrz s SER 37 N 0.48 1.69 0.28 3.32 1.04 -0.68 -0.65 113.70 119.18 2yrz s SER 37 Ca 0.17 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2yrz s SER 37 Cb -0.13 -0.66 0.03 0.00 0.10 0.00 0.00 66.02 65.36 2yrz s SER 37 CO 0.04 -0.09 0.23 -2.67 0.98 0.00 0.00 173.24 171.73 2yrz n TRP 38 N 4.58 -1.22 -5.13 5.02 2.14 0.35 -1.67 117.44 121.51 2yrz n TRP 38 Ca -0.16 -1.17 -0.32 0.00 2.07 0.00 0.00 57.50 57.92 2yrz n TRP 38 Cb 0.50 -0.23 -0.17 0.00 -0.81 0.00 0.00 31.31 30.60 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 -3.16 3.08 -0.54 -2.67 2.00 -1.26 -4.82 119.66 112.29 2yrz s GLN 39 Ca 0.17 -0.86 -0.34 0.00 -2.00 0.00 0.00 55.36 52.34 2yrz s GLN 39 Cb -0.01 -2.34 -0.14 0.00 0.80 0.00 0.00 33.01 31.31 2yrz s GLN 39 CO 0.11 0.17 2.34 -1.91 -0.50 0.00 0.00 175.29 175.50 2yrz n GLU 40 N 3.57 0.68 -1.17 1.67 2.13 -1.26 -4.30 120.64 121.97 2yrz n GLU 40 Ca -0.19 0.13 -0.29 0.00 0.66 0.00 0.00 57.16 57.48 2yrz n GLU 40 Cb 0.53 -2.29 0.17 0.00 0.27 0.00 0.00 31.44 30.12 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 7.19 0.48 0.19 5.31 0.04 -1.26 -4.99 135.00 141.95 2yrz s PRO 41 Ca 1.15 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 2yrz s PRO 41 Cb -0.91 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.81 2yrz s PRO 41 CO 0.47 -2.71 1.10 -0.98 0.04 0.00 0.00 177.00 174.92 2yrz s ARG 42 N -4.96 4.60 -0.29 4.56 1.70 -1.26 -4.84 118.95 118.46 2yrz s ARG 42 Ca 0.65 1.73 -0.11 0.00 -0.47 0.00 0.00 55.73 57.53 2yrz s ARG 42 Cb -0.19 -3.27 0.12 0.00 -0.57 0.00 0.00 34.95 31.05 2yrz s ARG 42 CO 0.58 0.10 0.64 0.00 -1.08 0.00 0.00 175.30 175.53 2yrz h GLU 44 N 7.86 0.00 -6.26 0.00 4.57 -1.84 -3.42 114.58 115.49 2yrz h GLU 44 Ca -0.20 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.38 2yrz h GLU 44 Cb 1.12 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.62 2yrz h GLU 44 CO 0.11 0.00 -0.61 1.03 -1.18 0.00 0.00 179.01 178.36 2yrz s ARG 45 N -4.69 2.69 0.06 1.92 1.81 -1.26 -5.08 118.95 114.40 2yrz s ARG 45 Ca -0.05 -0.91 -0.31 0.00 -1.72 0.00 0.00 55.73 52.74 2yrz s ARG 45 Cb 0.15 -2.55 -0.07 0.00 -0.45 0.00 0.00 34.95 32.03 2yrz s ARG 45 CO 0.56 0.50 1.40 -1.25 -0.68 0.00 0.00 175.30 175.83 2yrz s PRO 46 N -2.82 4.30 0.56 3.54 0.04 -1.26 -4.83 135.00 134.53 2yrz s PRO 46 Ca 0.29 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.17 2yrz s PRO 46 Cb -0.10 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 2yrz s PRO 46 CO 0.21 -0.50 1.10 -0.51 0.04 0.00 0.00 177.00 177.34 2yrz s LEU 47 N 1.72 3.67 -0.02 -3.56 1.43 -1.26 -4.17 118.68 116.49 2yrz s LEU 47 Ca 0.65 2.07 0.16 0.00 -1.03 0.00 0.00 54.13 55.98 2yrz s LEU 47 Cb -0.34 -4.57 -0.24 0.00 0.03 0.00 0.00 46.19 41.07 2yrz s LEU 47 CO 0.29 -1.23 0.37 0.00 0.23 0.00 0.00 176.35 176.01 2yrz n GLN 48 N -1.53 0.59 0.00 1.70 6.02 -1.05 -4.76 117.38 118.35 2yrz n GLN 48 Ca 0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2yrz n GLN 48 Cb 0.52 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 1.58 -0.83 3.66 1.08 0.00 -1.26 -3.56 105.19 105.87 2yrz n GLY 49 Ca -0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.00 0.26 -0.06 1.61 2.02 -1.17 -3.85 117.35 112.15 2yrz s TYR 50 Ca 0.00 -0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 56.01 2yrz s TYR 50 Cb 0.00 0.34 0.04 0.00 -0.40 0.00 0.00 41.96 41.93 2yrz s TYR 50 CO 0.00 -1.10 0.14 0.45 -1.57 0.00 0.00 175.55 173.48 2yrz s SER 51 N -3.01 -0.11 -0.32 2.29 0.15 -0.84 -0.70 113.70 111.17 2yrz s SER 51 Ca 0.20 0.30 0.02 0.00 0.70 0.00 0.00 55.95 57.16 2yrz s SER 51 Cb -0.02 0.19 0.10 0.00 -1.71 0.00 0.00 66.02 64.57 2yrz s SER 51 CO 0.09 -0.15 0.05 -0.69 1.20 0.00 0.00 173.24 173.75 2yrz s VAL 52 N 1.14 1.73 -0.14 4.45 1.01 0.83 -1.96 120.40 127.47 2yrz s VAL 52 Ca -0.09 -1.91 -0.11 0.00 0.00 0.00 0.00 61.98 59.87 2yrz s VAL 52 Cb -0.11 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2yrz s VAL 52 CO -0.06 -0.57 0.22 -1.61 0.00 0.00 0.00 175.10 173.08 2yrz s GLU 53 N 1.19 3.95 0.01 2.72 2.02 -0.85 -1.55 118.70 126.18 2yrz s GLU 53 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2yrz s GLU 53 Cb -0.18 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 2yrz s GLU 53 CO -0.14 0.48 -0.01 1.52 0.02 0.00 0.00 175.26 177.13 2yrz s TYR 54 N -0.21 0.12 -0.00 1.61 -0.85 -0.82 0.19 117.35 117.38 2yrz s TYR 54 Ca 0.15 -0.15 -0.28 0.00 -0.52 0.00 0.00 57.07 56.27 2yrz s TYR 54 Cb -0.13 -0.08 0.09 0.00 0.38 0.00 0.00 41.96 42.23 2yrz s TYR 54 CO 0.04 -0.05 0.81 1.14 -1.52 0.00 0.00 175.55 175.97 2yrz s GLN 55 N -0.40 0.92 -0.28 -3.49 -2.07 -1.18 -1.40 119.66 111.76 2yrz s GLN 55 Ca -0.04 -0.16 -0.40 0.00 -1.82 0.00 0.00 55.36 52.94 2yrz s GLN 55 Cb -0.03 0.43 -0.16 0.00 -1.09 0.00 0.00 33.01 32.16 2yrz s GLN 55 CO -0.00 -0.37 1.76 1.28 -1.32 0.00 0.00 175.29 176.64 2yrz n LEU 56 N 0.10 2.41 -0.33 2.60 4.77 -1.26 -0.18 117.00 125.11 2yrz n LEU 56 Ca -0.13 1.06 0.27 0.00 -0.03 0.00 0.00 56.01 57.19 2yrz n LEU 56 Cb 0.61 -1.14 0.51 0.00 -2.33 0.00 0.00 43.42 41.07 2yrz n LEU 56 CO 0.14 -0.42 1.01 0.25 -1.33 0.00 0.00 177.39 177.04 2yrz h LEU 57 N 7.35 0.17 0.14 2.23 5.85 -1.56 0.30 115.31 129.79 2yrz h LEU 57 Ca -0.46 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2yrz h LEU 57 Cb 1.32 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.65 2yrz h LEU 57 CO 0.97 -0.39 -0.07 0.78 -0.34 0.00 0.00 178.44 179.39 2yrz h ASN 58 N 0.04 -0.16 0.00 1.25 2.35 -1.86 -3.48 115.58 113.72 2yrz h ASN 58 Ca 0.78 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 2yrz h ASN 58 Cb 1.97 0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.38 2yrz h ASN 58 CO -0.78 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 175.87 2yrz n GLY 59 N -0.02 2.10 0.00 2.83 0.00 0.11 -5.17 105.19 105.03 2yrz n GLY 59 Ca -0.09 -0.09 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 2.60 3.64 -0.02 0.00 -1.26 -4.95 105.19 105.20 2yrz n GLY 60 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 1.79 4.03 -0.19 1.61 2.12 -1.26 -4.93 118.70 121.87 2yrz s GLU 61 Ca 0.00 -0.29 -0.11 0.00 0.36 0.00 0.00 54.97 54.93 2yrz s GLU 61 Cb 0.00 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 2yrz s GLU 61 CO 0.00 0.02 0.19 -1.17 -0.54 0.00 0.00 175.26 173.76 2yrz s LEU 62 N 1.17 4.21 -0.17 2.70 1.98 -1.26 -4.18 118.68 123.12 2yrz s LEU 62 Ca 0.07 0.32 0.01 0.00 -2.89 0.00 0.00 54.13 51.64 2yrz s LEU 62 Cb -0.14 -2.20 0.02 0.00 0.66 0.00 0.00 46.19 44.53 2yrz s LEU 62 CO 0.05 0.14 -0.20 -1.00 -1.89 0.00 0.00 176.35 173.45 2yrz s HIS 63 N 0.48 2.76 -0.27 5.38 3.76 -0.49 -4.99 115.29 121.92 2yrz s HIS 63 Ca 0.11 -1.55 -0.11 0.00 -0.15 0.00 0.00 55.06 53.37 2yrz s HIS 63 Cb -0.12 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 2yrz s HIS 63 CO 0.01 -0.75 0.18 0.50 -0.85 0.00 0.00 174.74 173.82 2yrz s ARG 64 N 1.18 3.96 -0.23 1.40 3.52 -1.26 -1.95 118.95 125.57 2yrz s ARG 64 Ca 0.02 -0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.25 2yrz s ARG 64 Cb -0.14 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 2yrz s ARG 64 CO -0.10 -0.12 0.02 -0.51 -0.81 0.00 0.00 175.30 173.78 2yrz s LEU 65 N 1.59 3.21 0.05 -0.88 1.43 -0.60 -4.96 118.68 118.52 2yrz s LEU 65 Ca 0.07 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2yrz s LEU 65 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2yrz s LEU 65 CO 0.09 -0.02 0.28 0.20 0.23 0.00 0.00 176.35 177.13 2yrz s ASN 66 N 1.53 6.47 -0.31 2.29 0.01 -1.26 -0.12 114.94 123.54 2yrz s ASN 66 Ca 0.06 0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 52.69 2yrz s ASN 66 Cb -0.15 -2.06 0.05 0.00 0.41 0.00 0.00 41.25 39.50 2yrz s ASN 66 CO 0.01 0.19 0.03 -0.63 -1.51 0.00 0.00 177.10 175.18 2yrz s ILE 67 N -1.43 3.20 -2.00 0.60 -1.09 0.13 -4.96 121.20 115.65 2yrz s ILE 67 Ca 0.32 -1.31 0.10 0.00 -2.23 0.00 0.00 60.65 57.53 2yrz s ILE 67 Cb -0.13 -2.82 0.28 0.00 -1.58 0.00 0.00 42.46 38.20 2yrz s ILE 67 CO 0.21 -0.12 1.02 -0.81 -1.23 0.00 0.00 174.94 174.01 2yrz n PRO 68 N 4.67 0.49 -3.81 2.79 -0.04 -1.26 -3.04 135.00 134.80 2yrz n PRO 68 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.08 2yrz n PRO 68 Cb 0.44 -1.31 -0.17 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.82 2.14 0.00 3.54 2.47 -1.26 -4.93 114.94 115.08 2yrz s ASN 69 Ca 0.15 -0.35 0.15 0.00 0.42 0.00 0.00 52.86 53.22 2yrz s ASN 69 Cb 0.07 -0.62 0.83 0.00 -1.45 0.00 0.00 41.25 40.08 2yrz s ASN 69 CO 0.11 -0.20 1.37 -0.81 -3.72 0.00 0.00 177.10 173.86 2yrz n PRO 70 N 5.05 0.34 -0.04 0.43 -0.04 -1.23 -2.15 135.00 137.36 2yrz n PRO 70 Ca -0.09 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2yrz n PRO 70 Cb 0.49 -1.50 -0.16 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 -1.15 2.41 -2.49 0.55 0.00 -1.26 -4.81 120.51 113.75 2yrz n ALA 71 Ca 0.09 -0.74 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 2yrz n ALA 71 Cb 0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.18 3.15 -0.44 0.00 0.74 -0.91 -4.84 119.66 114.19 2yrz s GLN 72 Ca -0.08 -0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.16 2yrz s GLN 72 Cb 0.11 -4.29 0.65 0.00 1.10 0.00 0.00 33.01 30.58 2yrz s GLN 72 CO 0.86 -2.22 1.88 0.25 -0.55 0.00 0.00 175.29 175.50 2yrz n THR 73 N 6.51 3.15 -3.66 -0.34 -2.24 -1.26 -4.86 114.28 111.57 2yrz n THR 73 Ca 0.07 -2.02 -0.08 0.00 -2.27 0.00 0.00 64.05 59.75 2yrz n THR 73 Cb 0.49 -0.46 -0.09 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 -1.44 -0.43 0.02 3.42 1.04 -1.26 -0.50 113.70 114.56 2yrz s SER 74 Ca 0.56 1.05 0.05 0.00 0.48 0.00 0.00 55.95 58.09 2yrz s SER 74 Cb 0.47 1.30 -0.02 0.00 0.10 0.00 0.00 66.02 67.87 2yrz s SER 74 CO 0.10 -0.22 -0.16 0.54 0.98 0.00 0.00 173.24 174.48 2yrz s VAL 75 N 2.30 1.26 -0.22 5.02 0.11 0.18 -4.97 120.40 124.08 2yrz s VAL 75 Ca -0.04 -0.88 -0.16 0.00 -2.93 0.00 0.00 61.98 57.97 2yrz s VAL 75 Cb -0.11 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 2yrz s VAL 75 CO -0.14 0.19 0.40 -0.69 -3.33 0.00 0.00 175.10 171.54 2yrz s VAL 76 N -0.62 5.18 -0.26 2.04 1.01 -1.26 -0.75 120.40 125.75 2yrz s VAL 76 Ca 0.05 0.68 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 2yrz s VAL 76 Cb -0.07 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2yrz s VAL 76 CO 0.01 0.22 0.09 -0.69 0.00 0.00 0.00 175.10 174.72 2yrz s VAL 77 N 1.56 4.46 0.30 2.92 1.01 0.28 -4.91 120.40 126.02 2yrz s VAL 77 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2yrz s VAL 77 Cb -0.15 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 2yrz s VAL 77 CO 0.08 0.31 0.03 -0.62 0.00 0.00 0.00 175.10 174.91 2yrz n GLU 78 N 4.95 1.05 -3.32 2.72 1.02 -1.26 0.17 120.64 125.96 2yrz n GLU 78 Ca -0.16 -2.27 -0.17 0.00 -0.02 0.00 0.00 57.16 54.54 2yrz n GLU 78 Cb 0.51 0.82 0.07 0.00 -0.02 0.00 0.00 31.44 32.83 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 -1.38 -3.44 -4.78 1.62 8.00 -0.55 -4.93 116.55 111.08 2yrz n ASP 79 Ca -0.10 -0.51 -0.23 0.00 0.71 0.00 0.00 54.79 54.66 2yrz n ASP 79 Cb 0.40 -4.48 0.02 0.00 -0.02 0.00 0.00 41.12 37.03 2yrz n ASP 79 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2yrz n LEU 80 N -3.98 0.00 -4.67 0.64 4.77 -1.23 -5.08 117.00 107.45 2yrz n LEU 80 Ca -0.15 -2.67 -0.35 0.00 -0.03 0.00 0.00 56.01 52.81 2yrz n LEU 80 Cb 0.61 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2yrz n LEU 80 CO 0.54 -0.62 -0.31 -0.76 -1.33 0.00 0.00 177.39 174.91 2yrz s LEU 81 N 0.00 3.56 0.34 2.23 1.43 -1.26 -4.74 118.68 120.25 2yrz s LEU 81 Ca 0.39 0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 53.35 2yrz s LEU 81 Cb -0.03 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 2yrz s LEU 81 CO 0.25 0.37 1.21 -2.16 0.23 0.00 0.00 176.35 176.25 2yrz s PRO 82 N -0.82 4.31 -1.20 1.29 0.04 -1.26 -3.63 135.00 133.72 2yrz s PRO 82 Ca 0.13 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 2yrz s PRO 82 Cb -0.11 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 2yrz s PRO 82 CO 0.02 -0.15 0.81 0.09 0.04 0.00 0.00 177.00 177.81 2yrz n ASN 83 N 0.62 -3.25 -3.78 6.66 5.03 -1.18 -5.01 115.26 114.36 2yrz n ASN 83 Ca 0.01 -0.80 -0.13 0.00 0.87 0.00 0.00 54.58 54.54 2yrz n ASN 83 Cb 0.44 -4.35 -0.12 0.00 -1.02 0.00 0.00 39.78 34.73 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 -0.27 0.26 3.10 3.76 -1.24 -4.92 115.29 112.45 2yrz s HIS 84 Ca 0.19 0.66 -0.22 0.00 -0.15 0.00 0.00 55.06 55.54 2yrz s HIS 84 Cb -0.04 0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.64 2yrz s HIS 84 CO 0.79 -0.15 0.81 -1.12 -0.85 0.00 0.00 174.74 174.23 2yrz s SER 85 N 0.35 7.16 -0.10 1.40 0.01 -1.26 -3.52 113.70 117.73 2yrz s SER 85 Ca -0.02 1.58 -0.03 0.00 1.31 0.00 0.00 55.95 58.78 2yrz s SER 85 Cb -0.03 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.76 2yrz s SER 85 CO -0.01 -0.01 0.08 -0.31 0.41 0.00 0.00 173.24 173.40 2yrz s TYR 86 N -1.56 0.09 -0.51 2.43 2.02 -1.03 -1.44 117.35 117.34 2yrz s TYR 86 Ca 0.46 0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 56.93 2yrz s TYR 86 Cb -0.17 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 40.84 2yrz s TYR 86 CO 0.22 -0.34 1.51 0.54 -1.57 0.00 0.00 175.55 175.91 2yrz s VAL 87 N 2.17 3.72 -0.56 0.71 0.11 0.75 -2.43 120.40 124.88 2yrz s VAL 87 Ca 0.04 0.64 -0.21 0.00 -2.93 0.00 0.00 61.98 59.52 2yrz s VAL 87 Cb -0.14 -4.24 0.06 0.00 -1.53 0.00 0.00 36.38 30.53 2yrz s VAL 87 CO -0.06 -0.97 0.78 -0.36 -3.33 0.00 0.00 175.10 171.16 2yrz s PHE 88 N 6.40 2.91 -0.47 1.54 0.40 -0.56 -3.12 117.98 125.06 2yrz s PHE 88 Ca 0.59 -0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 56.32 2yrz s PHE 88 Cb -0.13 -3.89 0.09 0.00 0.51 0.00 0.00 43.02 39.61 2yrz s PHE 88 CO 0.27 -1.27 0.38 1.03 0.70 0.00 0.00 175.22 176.33 2yrz s ARG 89 N 3.25 2.83 0.41 0.44 0.52 0.13 -1.71 118.95 124.82 2yrz s ARG 89 Ca 0.20 -1.49 -0.01 0.00 -0.52 0.00 0.00 55.73 53.90 2yrz s ARG 89 Cb -0.18 -4.05 -0.03 0.00 0.52 0.00 0.00 34.95 31.21 2yrz s ARG 89 CO 0.13 -1.09 0.65 0.08 0.02 0.00 0.00 175.30 175.09 2yrz s VAL 90 N 1.55 4.84 0.05 3.52 1.01 -1.01 -2.00 120.40 128.35 2yrz s VAL 90 Ca 0.04 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 2yrz s VAL 90 Cb -0.25 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.43 2yrz s VAL 90 CO 0.04 -0.61 1.13 0.00 0.00 0.00 0.00 175.10 175.66 2yrz s ARG 91 N -4.50 0.75 0.22 2.72 1.70 -0.83 -1.34 118.95 117.68 2yrz s ARG 91 Ca 0.44 -0.41 0.07 0.00 -0.47 0.00 0.00 55.73 55.36 2yrz s ARG 91 Cb -0.10 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2yrz s ARG 91 CO 0.39 -0.34 -0.12 0.00 -1.08 0.00 0.00 175.30 174.15 2yrz s ALA 92 N -2.82 2.09 0.01 7.88 0.00 -1.26 -1.98 121.76 125.67 2yrz s ALA 92 Ca 0.13 -1.72 0.06 0.00 0.00 0.00 0.00 51.96 50.43 2yrz s ALA 92 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2yrz s ALA 92 CO -0.01 0.02 -0.18 -1.14 0.00 0.00 0.00 175.76 174.44 2yrz s GLN 93 N -3.67 1.37 0.32 0.00 0.74 -1.25 -3.23 119.66 113.94 2yrz s GLN 93 Ca 0.24 -0.76 0.06 0.00 0.05 0.00 0.00 55.36 54.95 2yrz s GLN 93 Cb 0.01 -1.39 -0.03 0.00 1.10 0.00 0.00 33.01 32.70 2yrz s GLN 93 CO 0.08 0.37 0.24 -1.54 -0.55 0.00 0.00 175.29 173.89 2yrz s SER 94 N -0.78 1.63 0.34 6.67 1.04 -0.96 -2.52 113.70 119.12 2yrz s SER 94 Ca 0.06 -1.70 0.12 0.00 0.48 0.00 0.00 55.95 54.91 2yrz s SER 94 Cb -0.08 0.53 1.06 0.00 0.10 0.00 0.00 66.02 67.63 2yrz s SER 94 CO 0.00 -1.02 1.59 -0.61 0.98 0.00 0.00 173.24 174.19 2yrz h GLN 95 N 2.15 0.06 0.44 4.02 4.15 -1.84 -0.10 115.11 124.00 2yrz h GLN 95 Ca -0.28 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 2yrz h GLN 95 Cb 1.24 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2yrz h GLN 95 CO 0.41 0.04 -0.21 0.93 -1.93 0.00 0.00 178.83 178.07 2yrz h GLU 96 N 0.06 -0.57 0.00 1.69 4.39 -1.96 -3.50 114.58 114.69 2yrz h GLU 96 Ca 0.72 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.46 2yrz h GLU 96 Cb 1.73 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 2yrz h GLU 96 CO -0.79 -0.28 0.00 0.41 -1.16 0.00 0.00 179.01 177.19 2yrz n GLY 97 N -0.03 -0.65 3.64 -3.84 0.00 -0.05 -5.09 105.19 99.17 2yrz n GLY 97 Ca -0.09 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.00 3.22 0.00 1.61 0.52 -1.26 -2.28 118.94 117.75 2yrz s TRP 98 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 56.10 57.33 2yrz s TRP 98 Cb 0.00 -3.46 0.00 0.00 -1.15 0.00 0.00 33.47 28.86 2yrz s TRP 98 CO 0.00 -0.63 0.00 0.41 0.02 0.00 0.00 176.95 176.75 2yrz n GLY 99 N 3.76 0.32 4.02 0.98 0.00 -1.20 -5.01 105.19 108.06 2yrz n GLY 99 Ca 0.10 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 2.43 0.24 1.61 0.52 -1.23 -4.99 118.95 117.53 2yrz s ARG 100 Ca 0.00 -1.45 0.02 0.00 -0.52 0.00 0.00 55.73 53.78 2yrz s ARG 100 Cb 0.00 -2.65 -0.05 0.00 0.52 0.00 0.00 34.95 32.77 2yrz s ARG 100 CO 0.00 -0.72 0.07 -1.83 0.02 0.00 0.00 175.30 172.84 2yrz s GLU 101 N -4.61 1.36 -0.13 3.54 4.04 -1.26 -4.33 118.70 117.32 2yrz s GLU 101 Ca 0.60 -1.72 0.03 0.00 0.04 0.00 0.00 54.97 53.91 2yrz s GLU 101 Cb -0.07 -0.33 0.01 0.00 0.02 0.00 0.00 34.13 33.76 2yrz s GLU 101 CO 0.38 -0.24 -0.22 0.50 -1.84 0.00 0.00 175.26 173.84 2yrz s ARG 102 N -3.99 2.94 0.18 -4.83 6.06 -0.45 -4.69 118.95 114.17 2yrz s ARG 102 Ca 0.34 -0.83 -0.29 0.00 -2.50 0.00 0.00 55.73 52.46 2yrz s ARG 102 Cb 0.07 -2.36 -0.08 0.00 0.06 0.00 0.00 34.95 32.65 2yrz s ARG 102 CO 0.12 0.00 0.92 -2.00 -2.50 0.00 0.00 175.30 171.84 2yrz s GLU 103 N 0.77 4.75 -0.42 5.12 2.12 -1.26 -2.41 118.70 127.37 2yrz s GLU 103 Ca -0.08 1.41 0.07 0.00 0.36 0.00 0.00 54.97 56.73 2yrz s GLU 103 Cb -0.16 -3.31 0.18 0.00 0.26 0.00 0.00 34.13 31.10 2yrz s GLU 103 CO -0.01 0.41 0.62 0.20 -0.54 0.00 0.00 175.26 175.95 2yrz s GLY 104 N -0.73 -1.13 0.16 -1.50 0.00 -0.69 -4.88 107.32 98.54 2yrz s GLY 104 Ca 0.42 -0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 2yrz s GLY 104 CO 0.30 3.57 0.90 0.54 0.00 0.00 0.00 173.10 178.41 2yrz s VAL 105 N 1.63 4.34 0.06 1.40 0.11 -1.26 -1.50 120.40 125.18 2yrz s VAL 105 Ca 0.19 1.97 0.09 0.00 -2.93 0.00 0.00 61.98 61.30 2yrz s VAL 105 Cb -0.04 -4.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.50 2yrz s VAL 105 CO -0.06 0.43 -0.26 -0.51 -3.33 0.00 0.00 175.10 171.37 2yrz s ILE 106 N -0.65 2.09 -0.31 7.04 1.10 -1.02 -4.91 121.20 124.55 2yrz s ILE 106 Ca 0.42 -1.43 -0.05 0.00 -0.51 0.00 0.00 60.65 59.08 2yrz s ILE 106 Cb -0.24 -1.80 0.03 0.00 0.15 0.00 0.00 42.46 40.60 2yrz s ILE 106 CO 0.29 0.29 0.06 -0.89 -2.11 0.00 0.00 174.94 172.59 2yrz s THR 107 N -0.85 3.61 -0.17 4.00 2.01 -1.26 -2.47 115.64 120.51 2yrz s THR 107 Ca 0.11 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 2yrz s THR 107 Cb -0.10 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 2yrz s THR 107 CO 0.03 -0.04 1.97 -0.63 -0.69 0.00 0.00 174.62 175.25 2yrz s ILE 108 N 1.40 3.23 -0.25 1.82 -1.09 -1.23 -4.96 121.20 120.12 2yrz s ILE 108 Ca -0.01 0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.67 2yrz s ILE 108 Cb -0.18 -3.25 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 2yrz s ILE 108 CO 0.01 -0.12 -0.10 -1.61 -1.23 0.00 0.00 174.94 171.89 2yrz s GLU 109 N 5.43 2.54 -0.33 2.79 2.02 -1.26 -3.11 118.70 126.77 2yrz s GLU 109 Ca 0.88 -1.16 0.06 0.00 0.02 0.00 0.00 54.97 54.78 2yrz s GLU 109 Cb -0.32 -2.89 0.45 0.00 0.10 0.00 0.00 34.13 31.47 2yrz s GLU 109 CO 0.35 -0.47 1.17 0.45 0.02 0.00 0.00 175.26 176.78 2yrz n SER 110 N 4.54 4.87 -4.58 -0.19 2.88 -1.26 -4.93 113.62 114.95 2yrz n SER 110 Ca -0.16 -3.74 -0.41 0.00 -1.33 0.00 0.00 58.87 53.23 2yrz n SER 110 Cb 0.45 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 2yrz n SER 110 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2yrz s GLN 111 N -3.58 3.23 -0.21 -1.46 2.00 -1.26 -4.98 119.66 113.39 2yrz s GLN 111 Ca 0.50 0.68 -0.14 0.00 -2.00 0.00 0.00 55.36 54.40 2yrz s GLN 111 Cb 0.41 -4.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.01 2yrz s GLN 111 CO -0.02 -2.01 0.32 0.14 -0.50 0.00 0.00 175.29 173.22 2yrz s VAL 112 N 6.60 5.25 -0.15 1.34 -7.23 -1.26 -5.06 120.40 119.89 2yrz s VAL 112 Ca 0.60 0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 61.27 2yrz s VAL 112 Cb -0.13 -3.66 0.07 0.00 0.56 0.00 0.00 36.38 33.22 2yrz s VAL 112 CO 0.26 0.29 0.17 -0.94 -0.31 0.00 0.00 175.10 174.57 2yrz s SER 113 N 1.02 1.36 0.00 4.85 1.04 -1.26 -5.11 113.70 115.60 2yrz s SER 113 Ca 0.15 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2yrz s SER 113 Cb -0.14 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2yrz s SER 113 CO 0.07 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2yrz n GLY 114 N 5.31 2.27 0.00 7.32 0.00 -1.26 -4.64 105.19 114.19 2yrz n GLY 114 Ca -0.05 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 1.88 0.49 -1.07 1.61 -0.04 -1.26 -4.89 135.00 131.73 2yrz n PRO 115 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2yrz n PRO 115 Cb 0.00 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 2yrz n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yrz n SER 116 N -0.88 -0.27 -4.39 3.54 2.88 -1.26 -4.66 113.62 108.58 2yrz n SER 116 Ca 0.09 0.83 -0.49 0.00 -1.33 0.00 0.00 58.87 57.97 2yrz n SER 116 Cb 0.04 -0.67 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 2yrz n SER 116 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yrz n SER 117 N 1.20 -1.12 -0.58 -3.46 3.41 -1.26 -5.08 113.62 106.73 2yrz n SER 117 Ca 0.14 1.13 0.14 0.00 -0.26 0.00 0.00 58.87 60.01 2yrz n SER 117 Cb 0.09 -0.94 0.44 0.00 -0.26 0.00 0.00 64.21 63.54 2yrz n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49