#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 6.51 0.09 1.61 0.01 -1.26 -4.90 113.70 115.77 2yrz s SER 2 Ca 0.00 0.65 -0.17 0.00 1.31 0.00 0.00 55.95 57.74 2yrz s SER 2 Cb 0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 2yrz s SER 2 CO 0.00 -1.32 1.48 -1.28 0.41 0.00 0.00 173.24 172.53 2yrz h SER 3 N 9.85 0.57 -1.98 2.44 0.87 -2.15 -3.49 113.55 119.66 2yrz h SER 3 Ca -0.25 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2yrz h SER 3 Cb 1.08 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2yrz h SER 3 CO 1.11 0.81 0.00 0.61 -0.53 0.00 0.00 176.83 178.83 2yrz n GLY 4 N -0.14 -0.42 3.19 5.77 0.00 -1.26 -5.15 105.19 107.18 2yrz n GLY 4 Ca -0.03 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.88 1.44 -0.32 1.61 1.04 -1.26 -5.13 113.70 108.20 2yrz s SER 5 Ca 0.00 -0.93 -0.00 0.00 0.48 0.00 0.00 55.95 55.50 2yrz s SER 5 Cb 0.00 0.03 0.10 0.00 0.10 0.00 0.00 66.02 66.25 2yrz s SER 5 CO 0.00 -0.34 0.11 -0.44 0.98 0.00 0.00 173.24 173.55 2yrz s SER 6 N -2.82 3.99 -0.37 7.02 0.01 -1.26 -4.96 113.70 115.31 2yrz s SER 6 Ca 0.10 -1.74 0.05 0.00 1.31 0.00 0.00 55.95 55.67 2yrz s SER 6 Cb 0.01 -0.88 0.27 0.00 0.21 0.00 0.00 66.02 65.63 2yrz s SER 6 CO -0.01 -0.40 1.24 0.61 0.41 0.00 0.00 173.24 175.08 2yrz n GLY 7 N 4.71 -0.16 3.51 3.44 0.00 -1.26 -5.15 105.19 110.28 2yrz n GLY 7 Ca -0.01 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.05 -0.63 -2.05 1.61 7.64 -1.26 -4.82 113.62 114.06 2yrz n SER 8 Ca -0.08 0.70 -0.15 0.00 1.01 0.00 0.00 58.87 60.35 2yrz n SER 8 Cb 0.74 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.59 2yrz n SER 8 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2yrz n HIS 9 N -1.96 0.56 -2.02 1.43 -0.00 -1.26 -4.94 115.22 107.03 2yrz n HIS 9 Ca 0.12 -1.59 -0.41 0.00 -0.00 0.00 0.00 57.72 55.83 2yrz n HIS 9 Cb 0.48 -1.34 -0.02 0.00 -0.00 0.00 0.00 29.99 29.11 2yrz n HIS 9 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2yrz s ASP 10 N 1.41 6.66 0.00 0.26 1.11 -1.26 -4.91 116.67 119.93 2yrz s ASP 10 Ca 0.53 2.66 0.00 0.00 0.18 0.00 0.00 52.55 55.91 2yrz s ASP 10 Cb 0.29 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.65 2yrz s ASP 10 CO -0.06 -0.70 0.00 -1.54 1.18 0.00 0.00 175.17 174.05 2yrz n SER 11 N 2.36 1.29 -4.47 0.27 3.41 -1.26 -4.91 113.62 110.31 2yrz n SER 11 Ca 0.07 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.24 2yrz n SER 11 Cb 0.40 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 2yrz n SER 11 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2yrz s ARG 12 N -1.98 3.80 0.34 4.33 0.52 -1.26 -4.97 118.95 119.73 2yrz s ARG 12 Ca 0.00 -2.03 0.04 0.00 -0.52 0.00 0.00 55.73 53.22 2yrz s ARG 12 Cb 0.00 -5.03 -0.07 0.00 0.52 0.00 0.00 34.95 30.37 2yrz s ARG 12 CO 0.00 -1.83 0.05 -0.51 0.02 0.00 0.00 175.30 173.03 2yrz s LEU 13 N 2.52 2.30 -0.20 2.53 1.43 -1.26 -5.08 118.68 120.92 2yrz s LEU 13 Ca 0.38 -1.38 -0.39 0.00 -1.03 0.00 0.00 54.13 51.71 2yrz s LEU 13 Cb -0.03 -0.47 -0.15 0.00 0.03 0.00 0.00 46.19 45.57 2yrz s LEU 13 CO -0.05 -0.59 1.70 0.35 0.23 0.00 0.00 176.35 177.99 2yrz n THR 14 N -0.74 0.29 0.01 5.49 -2.24 -1.26 -4.82 114.28 111.02 2yrz n THR 14 Ca -0.03 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2yrz n THR 14 Cb 0.67 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 5.10 3.00 -0.42 6.98 0.00 -1.26 -4.78 120.51 129.13 2yrz n ALA 15 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 2yrz n ALA 15 Cb 0.16 0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 2.67 2.66 3.84 0.00 0.00 -1.26 -4.81 105.19 108.28 2yrz n GLY 16 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.30 4.79 0.27 1.61 -7.23 -1.26 -4.05 120.40 114.24 2yrz s VAL 17 Ca 0.04 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 2yrz s VAL 17 Cb 0.03 -3.39 -0.10 0.00 0.56 0.00 0.00 36.38 33.49 2yrz s VAL 17 CO 0.00 0.01 1.25 -2.16 -0.31 0.00 0.00 175.10 173.89 2yrz s PRO 18 N -2.81 4.44 0.64 4.82 0.04 -1.26 -4.65 135.00 136.21 2yrz s PRO 18 Ca 0.32 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 2yrz s PRO 18 Cb -0.11 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 2yrz s PRO 18 CO 0.25 -0.11 1.05 0.34 0.04 0.00 0.00 177.00 178.56 2yrz s ASP 19 N -0.28 5.72 -0.02 6.66 2.15 -0.29 -3.17 116.67 127.43 2yrz s ASP 19 Ca 0.51 1.64 -0.39 0.00 0.43 0.00 0.00 52.55 54.74 2yrz s ASP 19 Cb -0.37 -2.50 -0.17 0.00 -0.30 0.00 0.00 42.92 39.58 2yrz s ASP 19 CO 0.45 -1.21 1.36 0.41 -0.17 0.00 0.00 175.17 176.00 2yrz n THR 20 N -2.64 0.05 -1.80 1.71 -1.04 -1.26 -4.63 114.28 104.67 2yrz n THR 20 Ca 0.08 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.74 2yrz n THR 20 Cb 0.53 -0.68 0.04 0.00 -1.82 0.00 0.00 70.33 68.40 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 1.00 2.85 0.89 -2.82 0.04 -1.26 -4.91 135.00 130.80 2yrz s PRO 21 Ca 0.89 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2yrz s PRO 21 Cb -1.07 -1.96 0.21 0.00 0.04 0.00 0.00 34.50 31.72 2yrz s PRO 21 CO 0.54 -1.21 0.96 2.41 0.04 0.00 0.00 177.00 179.74 2yrz n THR 22 N -2.31 0.00 -1.06 1.26 -1.04 -1.26 -4.48 114.28 105.38 2yrz n THR 22 Ca 0.10 -0.57 -0.34 0.00 -2.04 0.00 0.00 64.05 61.21 2yrz n THR 22 Cb 0.52 -1.38 0.11 0.00 -1.82 0.00 0.00 70.33 67.75 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 -3.75 0.08 -3.22 -2.82 -4.01 -1.26 -4.70 116.66 96.98 2yrz n ARG 23 Ca 0.13 0.08 -0.18 0.00 -1.04 0.00 0.00 57.85 56.84 2yrz n ARG 23 Cb 0.47 -2.05 -0.00 0.00 -3.04 0.00 0.00 32.46 27.83 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 -2.42 3.71 -0.15 2.89 1.43 -1.26 -4.51 118.68 118.38 2yrz s LEU 24 Ca 0.66 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2yrz s LEU 24 Cb -0.29 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.36 2yrz s LEU 24 CO 0.58 -0.64 -0.07 -0.69 0.23 0.00 0.00 176.35 175.75 2yrz s VAL 25 N -2.31 1.16 -0.14 -1.59 1.01 0.33 -4.88 120.40 113.97 2yrz s VAL 25 Ca 0.51 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2yrz s VAL 25 Cb -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2yrz s VAL 25 CO 0.32 0.26 0.07 -0.36 0.00 0.00 0.00 175.10 175.39 2yrz s PHE 26 N 1.63 3.32 -0.23 5.22 0.40 -1.23 -1.42 117.98 125.67 2yrz s PHE 26 Ca 0.03 0.23 0.09 0.00 -0.60 0.00 0.00 56.93 56.67 2yrz s PHE 26 Cb -0.14 -1.98 -0.20 0.00 0.51 0.00 0.00 43.02 41.22 2yrz s PHE 26 CO -0.08 0.38 -0.10 0.45 0.70 0.00 0.00 175.22 176.58 2yrz n SER 27 N 2.80 1.24 -3.35 1.36 2.88 -1.00 -4.91 113.62 112.64 2yrz n SER 27 Ca -0.18 -0.08 -0.16 0.00 -1.33 0.00 0.00 58.87 57.12 2yrz n SER 27 Cb 0.53 0.20 0.08 0.00 -0.75 0.00 0.00 64.21 64.28 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 -3.01 -2.09 -0.69 -1.46 0.00 -1.26 -4.81 120.51 107.19 2yrz n ALA 28 Ca -0.39 -0.01 0.52 0.00 0.00 0.00 0.00 53.44 53.56 2yrz n ALA 28 Cb 1.04 -3.15 0.81 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.68 0.00 0.00 0.00 -0.00 -1.84 -3.43 115.31 108.36 2yrz h LEU 29 Ca -0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.30 2yrz h LEU 29 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.99 2yrz h LEU 29 CO 0.48 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.53 2yrz n GLY 30 N -1.92 1.56 0.20 0.83 0.00 -1.14 -4.94 105.19 99.78 2yrz n GLY 30 Ca 0.44 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.94 -3.13 132.00 128.66 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 0.35 -0.08 0.25 -0.23 0.00 0.00 178.00 178.29 2yrz n THR 32 N -3.71 1.68 -4.03 1.56 -2.24 -1.26 -4.36 114.28 101.91 2yrz n THR 32 Ca -0.01 -2.05 -0.11 0.00 -2.27 0.00 0.00 64.05 59.61 2yrz n THR 32 Cb 0.45 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.68 0.60 0.24 3.42 1.04 -1.18 -2.07 113.70 113.06 2yrz s SER 33 Ca 0.29 -0.51 -0.17 0.00 0.48 0.00 0.00 55.95 56.03 2yrz s SER 33 Cb 0.25 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2yrz s SER 33 CO 0.02 -0.23 0.57 -0.76 0.98 0.00 0.00 173.24 173.82 2yrz s LEU 34 N -1.48 0.04 -0.24 2.42 1.43 0.35 -2.88 118.68 118.32 2yrz s LEU 34 Ca -0.12 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2yrz s LEU 34 Cb -0.10 2.21 0.10 0.00 0.03 0.00 0.00 46.19 48.43 2yrz s LEU 34 CO -0.00 -1.17 0.21 -0.60 0.23 0.00 0.00 176.35 175.02 2yrz s ARG 35 N -3.93 0.21 -0.16 1.70 3.52 -1.26 0.97 118.95 120.00 2yrz s ARG 35 Ca 0.14 -0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 55.50 2yrz s ARG 35 Cb -0.02 -1.11 -0.04 0.00 -1.56 0.00 0.00 34.95 32.21 2yrz s ARG 35 CO 0.04 -0.84 0.36 0.08 -0.81 0.00 0.00 175.30 174.12 2yrz s VAL 36 N 2.27 5.26 -0.05 7.11 1.01 -0.08 -2.38 120.40 133.53 2yrz s VAL 36 Ca 0.08 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.75 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 0.34 -0.08 -0.55 0.00 0.00 0.00 175.10 174.58 2yrz s SER 37 N 0.63 1.30 0.29 3.32 0.15 -0.51 -0.58 113.70 118.31 2yrz s SER 37 Ca 0.19 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2yrz s SER 37 Cb -0.14 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2yrz s SER 37 CO 0.06 0.00 0.03 -2.67 1.20 0.00 0.00 173.24 171.87 2yrz n TRP 38 N 3.80 0.42 -4.65 3.44 2.14 -0.05 -0.52 117.44 122.03 2yrz n TRP 38 Ca -0.23 -1.40 -0.33 0.00 2.07 0.00 0.00 57.50 57.60 2yrz n TRP 38 Cb 0.52 -0.20 -0.16 0.00 -0.81 0.00 0.00 31.31 30.66 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 -3.07 3.15 -0.62 -2.67 2.00 -1.26 -4.81 119.66 112.38 2yrz s GLN 39 Ca 0.03 -0.79 -0.34 0.00 -2.00 0.00 0.00 55.36 52.26 2yrz s GLN 39 Cb -0.00 -2.54 -0.16 0.00 0.80 0.00 0.00 33.01 31.11 2yrz s GLN 39 CO 0.02 0.03 2.39 -1.91 -0.50 0.00 0.00 175.29 175.32 2yrz n GLU 40 N 3.98 0.51 -1.15 1.67 2.13 -1.26 -4.39 120.64 122.13 2yrz n GLU 40 Ca -0.19 0.09 -0.29 0.00 0.66 0.00 0.00 57.16 57.43 2yrz n GLU 40 Cb 0.52 -2.13 0.19 0.00 0.27 0.00 0.00 31.44 30.29 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 7.46 0.19 0.42 5.31 0.04 -1.26 -5.02 135.00 142.14 2yrz s PRO 41 Ca 1.18 0.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 2yrz s PRO 41 Cb -1.00 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 2yrz s PRO 41 CO 0.48 -2.88 0.95 -0.98 0.04 0.00 0.00 177.00 174.62 2yrz s ARG 42 N -5.00 4.24 -0.30 4.56 1.70 -1.26 -4.86 118.95 118.03 2yrz s ARG 42 Ca 0.66 1.14 -0.16 0.00 -0.47 0.00 0.00 55.73 56.90 2yrz s ARG 42 Cb -0.18 -2.22 0.17 0.00 -0.57 0.00 0.00 34.95 32.15 2yrz s ARG 42 CO 0.58 -0.02 1.06 0.00 -1.08 0.00 0.00 175.30 175.83 2yrz h GLU 44 N 7.41 0.19 -6.19 0.00 5.08 -1.85 -3.39 114.58 115.83 2yrz h GLU 44 Ca -0.15 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.60 2yrz h GLU 44 Cb 1.12 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 2yrz h GLU 44 CO 0.07 0.12 -0.58 1.03 -1.00 0.00 0.00 179.01 178.66 2yrz s ARG 45 N -5.35 2.88 -0.00 2.33 1.81 -1.26 -5.08 118.95 114.28 2yrz s ARG 45 Ca -0.08 -0.80 -0.30 0.00 -1.72 0.00 0.00 55.73 52.83 2yrz s ARG 45 Cb 0.28 -2.67 -0.06 0.00 -0.45 0.00 0.00 34.95 32.05 2yrz s ARG 45 CO 0.81 0.52 1.45 -1.25 -0.68 0.00 0.00 175.30 176.15 2yrz s PRO 46 N -2.82 4.26 0.59 3.54 0.04 -1.26 -4.87 135.00 134.48 2yrz s PRO 46 Ca 0.30 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 2yrz s PRO 46 Cb -0.11 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 2yrz s PRO 46 CO 0.23 -0.63 1.14 1.28 0.04 0.00 0.00 177.00 179.06 2yrz n LEU 47 N 5.64 4.67 -0.04 -3.56 4.77 -1.26 -4.26 117.00 122.96 2yrz n LEU 47 Ca 0.14 0.86 0.03 0.00 -0.03 0.00 0.00 56.01 57.01 2yrz n LEU 47 Cb 0.43 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 39.91 2yrz n LEU 47 CO 0.59 -1.33 -0.84 0.00 -1.33 0.00 0.00 177.39 174.48 2yrz n GLN 48 N -1.19 0.76 0.00 3.23 1.13 -0.99 -4.73 117.38 115.60 2yrz n GLN 48 Ca 0.13 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2yrz n GLN 48 Cb 0.46 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.37 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 1.60 1.46 3.60 1.08 0.00 -1.26 -3.73 105.19 107.94 2yrz n GLY 49 Ca -0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.10 0.10 -0.02 1.61 2.02 -1.04 -3.80 117.35 115.13 2yrz s TYR 50 Ca 0.00 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2yrz s TYR 50 Cb 0.00 0.34 0.02 0.00 -0.40 0.00 0.00 41.96 41.92 2yrz s TYR 50 CO 0.00 -0.99 0.05 0.45 -1.57 0.00 0.00 175.55 173.48 2yrz s SER 51 N -2.95 0.01 -0.37 2.29 0.15 0.17 -0.34 113.70 112.66 2yrz s SER 51 Ca 0.16 0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.91 2yrz s SER 51 Cb -0.01 0.01 0.11 0.00 -1.71 0.00 0.00 66.02 64.42 2yrz s SER 51 CO 0.04 -0.10 0.13 -0.69 1.20 0.00 0.00 173.24 173.83 2yrz s VAL 52 N 0.76 1.53 -0.14 4.45 1.01 0.62 -0.29 120.40 128.34 2yrz s VAL 52 Ca -0.06 -2.11 -0.11 0.00 0.00 0.00 0.00 61.98 59.70 2yrz s VAL 52 Cb -0.09 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2yrz s VAL 52 CO -0.03 -0.72 0.22 -1.61 0.00 0.00 0.00 175.10 172.97 2yrz s GLU 53 N 0.95 4.00 0.01 2.72 2.02 -1.07 -1.84 118.70 125.48 2yrz s GLU 53 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2yrz s GLU 53 Cb -0.20 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 2yrz s GLU 53 CO -0.12 0.44 -0.01 1.52 0.02 0.00 0.00 175.26 177.11 2yrz s TYR 54 N -0.11 0.11 0.07 1.61 -0.85 -0.76 -0.15 117.35 117.27 2yrz s TYR 54 Ca 0.15 -0.14 -0.21 0.00 -0.52 0.00 0.00 57.07 56.34 2yrz s TYR 54 Cb -0.13 -0.07 0.05 0.00 0.38 0.00 0.00 41.96 42.19 2yrz s TYR 54 CO 0.03 -0.05 0.51 1.14 -1.52 0.00 0.00 175.55 175.66 2yrz s GLN 55 N -0.38 1.07 -0.37 -3.49 -2.07 -1.18 -1.16 119.66 112.08 2yrz s GLN 55 Ca -0.04 -0.34 -0.42 0.00 -1.82 0.00 0.00 55.36 52.74 2yrz s GLN 55 Cb -0.03 0.48 -0.16 0.00 -1.09 0.00 0.00 33.01 32.21 2yrz s GLN 55 CO -0.00 -0.40 1.82 1.28 -1.32 0.00 0.00 175.29 176.67 2yrz n LEU 56 N 0.22 1.89 -0.34 2.60 4.77 -1.24 -0.81 117.00 124.08 2yrz n LEU 56 Ca -0.18 0.96 -0.07 0.00 -0.03 0.00 0.00 56.01 56.69 2yrz n LEU 56 Cb 0.61 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2yrz n LEU 56 CO 0.18 -0.60 0.41 -0.11 -1.33 0.00 0.00 177.39 175.94 2yrz n LEU 57 N 5.94 -0.80 -0.09 2.23 0.00 -0.54 0.15 117.00 123.89 2yrz n LEU 57 Ca 0.33 1.45 -0.10 0.00 0.00 0.00 0.00 56.01 57.69 2yrz n LEU 57 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 43.42 43.25 2yrz n LEU 57 CO 0.83 -1.21 0.85 -0.55 0.00 0.00 0.00 177.39 177.32 2yrz h ASN 58 N 0.00 0.41 -0.78 1.96 7.08 -1.87 -3.46 115.58 118.92 2yrz h ASN 58 Ca 0.16 -0.20 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2yrz h ASN 58 Cb 0.37 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 2yrz h ASN 58 CO -0.78 0.50 0.00 0.61 -2.08 0.00 0.00 177.43 175.69 2yrz n GLY 59 N -0.63 4.00 0.00 9.14 0.00 0.12 -5.18 105.19 112.65 2yrz n GLY 59 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.28 -0.45 3.88 -0.02 0.00 -1.26 -4.69 105.19 101.37 2yrz n GLY 60 Ca 0.00 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 3.72 -0.22 1.61 2.56 -1.26 -4.90 118.70 120.21 2yrz s GLU 61 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.97 55.06 2yrz s GLU 61 Cb 0.00 -2.86 0.02 0.00 2.00 0.00 0.00 34.13 33.29 2yrz s GLU 61 CO 0.00 0.47 -0.10 -1.17 -0.56 0.00 0.00 175.26 173.89 2yrz s LEU 62 N -2.42 2.81 -0.28 2.70 1.98 -1.26 -3.73 118.68 118.48 2yrz s LEU 62 Ca 0.40 -0.72 -0.10 0.00 -2.89 0.00 0.00 54.13 50.82 2yrz s LEU 62 Cb -0.13 -1.62 -0.03 0.00 0.66 0.00 0.00 46.19 45.07 2yrz s LEU 62 CO 0.21 -0.07 0.15 -1.00 -1.89 0.00 0.00 176.35 173.76 2yrz s HIS 63 N 1.34 3.17 -0.28 5.38 3.76 -0.30 -4.97 115.29 123.39 2yrz s HIS 63 Ca 0.02 -0.19 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 2yrz s HIS 63 Cb -0.15 -2.34 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 2yrz s HIS 63 CO -0.07 -0.29 0.20 0.50 -0.85 0.00 0.00 174.74 174.24 2yrz s ARG 64 N 1.69 3.96 -0.13 1.40 3.52 -1.26 -1.84 118.95 126.29 2yrz s ARG 64 Ca 0.06 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.35 2yrz s ARG 64 Cb -0.16 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 2yrz s ARG 64 CO 0.08 -0.17 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.83 2yrz s LEU 65 N 1.74 3.19 0.05 -0.88 1.43 -0.76 -4.97 118.68 118.47 2yrz s LEU 65 Ca 0.08 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2yrz s LEU 65 Cb -0.16 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2yrz s LEU 65 CO 0.11 0.22 -0.03 0.20 0.23 0.00 0.00 176.35 177.07 2yrz s ASN 66 N 0.05 4.85 -0.30 2.29 0.01 -1.26 -0.28 114.94 120.31 2yrz s ASN 66 Ca -0.01 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 2yrz s ASN 66 Cb -0.14 -1.14 0.07 0.00 0.41 0.00 0.00 41.25 40.45 2yrz s ASN 66 CO 0.03 0.22 -0.03 -0.63 -1.51 0.00 0.00 177.10 175.19 2yrz s ILE 67 N -1.17 2.46 -2.00 0.60 -1.09 0.54 -4.96 121.20 115.58 2yrz s ILE 67 Ca 0.22 -1.77 0.11 0.00 -2.23 0.00 0.00 60.65 56.98 2yrz s ILE 67 Cb -0.11 -2.54 0.31 0.00 -1.58 0.00 0.00 42.46 38.53 2yrz s ILE 67 CO 0.13 -0.22 1.08 -0.81 -1.23 0.00 0.00 174.94 173.89 2yrz n PRO 68 N 4.45 0.49 -3.89 2.79 -0.04 -1.26 -2.48 135.00 135.06 2yrz n PRO 68 Ca -0.09 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 2yrz n PRO 68 Cb 0.42 -1.34 -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 -1.84 2.81 0.00 3.54 2.47 -1.26 -4.90 114.94 115.76 2yrz s ASN 69 Ca 0.16 -0.65 0.14 0.00 0.42 0.00 0.00 52.86 52.93 2yrz s ASN 69 Cb 0.07 -0.91 0.61 0.00 -1.45 0.00 0.00 41.25 39.58 2yrz s ASN 69 CO 0.12 -0.18 1.46 -0.81 -3.72 0.00 0.00 177.10 173.97 2yrz n PRO 70 N 4.88 0.00 -0.03 0.43 -0.04 -1.24 -2.42 135.00 136.58 2yrz n PRO 70 Ca -0.12 0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 2yrz n PRO 70 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.50 1.63 -2.19 0.55 0.00 -1.26 -4.79 120.51 112.96 2yrz n ALA 71 Ca 0.04 -0.84 -0.39 0.00 0.00 0.00 0.00 53.44 52.25 2yrz n ALA 71 Cb 0.17 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.67 2.79 -0.51 0.00 0.74 -1.01 -4.83 119.66 114.16 2yrz s GLN 72 Ca -0.06 0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.72 2yrz s GLN 72 Cb 0.08 -4.35 0.60 0.00 1.10 0.00 0.00 33.01 30.44 2yrz s GLN 72 CO 0.83 -2.58 1.95 0.25 -0.55 0.00 0.00 175.29 175.19 2yrz n THR 73 N 6.99 3.32 -3.66 -0.34 -2.24 -1.26 -4.88 114.28 112.21 2yrz n THR 73 Ca 0.16 -2.20 -0.10 0.00 -2.27 0.00 0.00 64.05 59.64 2yrz n THR 73 Cb 0.51 -0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.74 -0.02 3.42 1.04 -1.26 -0.87 113.70 113.84 2yrz s SER 74 Ca 0.59 1.25 0.01 0.00 0.48 0.00 0.00 55.95 58.28 2yrz s SER 74 Cb 0.49 1.16 0.01 0.00 0.10 0.00 0.00 66.02 67.77 2yrz s SER 74 CO 0.07 -0.22 -0.02 0.54 0.98 0.00 0.00 173.24 174.60 2yrz s VAL 75 N 1.26 0.21 -0.26 5.02 0.11 0.25 -4.99 120.40 122.00 2yrz s VAL 75 Ca -0.08 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.74 2yrz s VAL 75 Cb -0.06 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2yrz s VAL 75 CO -0.13 0.10 0.67 -0.69 -3.33 0.00 0.00 175.10 171.72 2yrz s VAL 76 N 0.45 4.94 -0.19 2.04 1.01 -1.26 -0.90 120.40 126.49 2yrz s VAL 76 Ca -0.04 1.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.98 2yrz s VAL 76 Cb -0.07 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2yrz s VAL 76 CO -0.01 -0.03 0.21 -0.69 0.00 0.00 0.00 175.10 174.58 2yrz s VAL 77 N 2.60 5.36 0.39 2.92 1.01 0.27 -4.91 120.40 128.04 2yrz s VAL 77 Ca 0.28 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.64 2yrz s VAL 77 Cb -0.15 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2yrz s VAL 77 CO 0.09 0.40 0.13 -0.62 0.00 0.00 0.00 175.10 175.10 2yrz n GLU 78 N 3.66 0.61 -3.17 2.72 1.02 -1.26 0.13 120.64 124.35 2yrz n GLU 78 Ca -0.14 -3.23 -0.14 0.00 -0.02 0.00 0.00 57.16 53.63 2yrz n GLU 78 Cb 0.52 1.72 0.07 0.00 -0.02 0.00 0.00 31.44 33.73 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 -1.55 -3.38 -4.85 1.62 8.00 -0.88 -4.96 116.55 110.55 2yrz n ASP 79 Ca -0.06 -0.57 -0.27 0.00 0.71 0.00 0.00 54.79 54.60 2yrz n ASP 79 Cb 0.57 -4.56 -0.03 0.00 -0.02 0.00 0.00 41.12 37.08 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 -5.56 2.68 -0.10 0.64 1.43 -1.24 -5.09 118.68 111.44 2yrz s LEU 80 Ca 0.13 -1.30 -0.03 0.00 -1.03 0.00 0.00 54.13 51.91 2yrz s LEU 80 Cb -0.02 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2yrz s LEU 80 CO 0.64 -0.97 0.01 -0.76 0.23 0.00 0.00 176.35 175.49 2yrz s LEU 81 N -4.15 3.60 0.56 1.79 1.43 -1.26 -4.75 118.68 115.90 2yrz s LEU 81 Ca 0.29 0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 2yrz s LEU 81 Cb -0.01 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2yrz s LEU 81 CO 0.18 0.35 1.13 -2.16 0.23 0.00 0.00 176.35 176.07 2yrz s PRO 82 N -0.69 3.28 -1.43 1.29 0.04 -1.26 -3.32 135.00 132.91 2yrz s PRO 82 Ca 0.11 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 2yrz s PRO 82 Cb -0.12 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.52 2yrz s PRO 82 CO 0.02 -0.90 0.65 0.09 0.04 0.00 0.00 177.00 176.90 2yrz n ASN 83 N -1.46 -3.89 -3.73 6.66 5.03 -1.21 -4.94 115.26 111.71 2yrz n ASN 83 Ca 0.11 -0.60 -0.23 0.00 0.87 0.00 0.00 54.58 54.73 2yrz n ASN 83 Cb 0.51 -3.19 -0.17 0.00 -1.02 0.00 0.00 39.78 35.91 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 -3.08 0.55 0.71 3.10 3.76 -1.21 -4.94 115.29 114.18 2yrz s HIS 84 Ca 0.53 -0.16 -0.14 0.00 -0.15 0.00 0.00 55.06 55.14 2yrz s HIS 84 Cb -0.28 -0.75 0.03 0.00 1.11 0.00 0.00 32.58 32.69 2yrz s HIS 84 CO 0.65 -0.34 1.12 -1.12 -0.85 0.00 0.00 174.74 174.20 2yrz s SER 85 N 2.01 4.68 -0.12 1.40 0.01 -1.26 -4.09 113.70 116.33 2yrz s SER 85 Ca 0.04 2.03 -0.05 0.00 1.31 0.00 0.00 55.95 59.29 2yrz s SER 85 Cb -0.13 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.61 2yrz s SER 85 CO -0.05 -1.92 0.25 -0.31 0.41 0.00 0.00 173.24 171.62 2yrz s TYR 86 N -2.42 -0.39 -0.60 2.43 2.02 0.13 -1.47 117.35 117.05 2yrz s TYR 86 Ca 0.67 0.91 -0.27 0.00 -0.37 0.00 0.00 57.07 58.01 2yrz s TYR 86 Cb -0.21 -0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.36 2yrz s TYR 86 CO 0.46 -0.32 1.15 0.54 -1.57 0.00 0.00 175.55 175.82 2yrz s VAL 87 N 2.12 4.05 -0.38 0.71 0.11 0.01 -1.73 120.40 125.29 2yrz s VAL 87 Ca -0.01 0.70 -0.20 0.00 -2.93 0.00 0.00 61.98 59.53 2yrz s VAL 87 Cb -0.12 -4.72 0.01 0.00 -1.53 0.00 0.00 36.38 30.02 2yrz s VAL 87 CO -0.08 -1.37 0.61 -0.36 -3.33 0.00 0.00 175.10 170.57 2yrz s PHE 88 N 4.86 3.13 -0.43 1.54 0.40 -0.50 -3.12 117.98 123.86 2yrz s PHE 88 Ca 0.39 0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.88 2yrz s PHE 88 Cb -0.09 -3.16 0.11 0.00 0.51 0.00 0.00 43.02 40.40 2yrz s PHE 88 CO 0.23 -0.68 0.24 1.03 0.70 0.00 0.00 175.22 176.74 2yrz s ARG 89 N 2.68 2.12 0.10 0.44 0.52 0.79 0.51 118.95 126.12 2yrz s ARG 89 Ca 0.23 -1.83 -0.27 0.00 -0.52 0.00 0.00 55.73 53.34 2yrz s ARG 89 Cb -0.15 -3.66 -0.06 0.00 0.52 0.00 0.00 34.95 31.60 2yrz s ARG 89 CO 0.16 -1.10 0.84 0.08 0.02 0.00 0.00 175.30 175.30 2yrz s VAL 90 N 1.15 4.53 0.10 3.52 1.01 -0.77 -2.61 120.40 127.33 2yrz s VAL 90 Ca 0.08 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.90 2yrz s VAL 90 Cb -0.23 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2yrz s VAL 90 CO -0.03 0.39 -0.07 -0.60 0.00 0.00 0.00 175.10 174.79 2yrz s ARG 91 N -0.34 0.83 0.19 2.72 3.52 0.60 -0.41 118.95 126.07 2yrz s ARG 91 Ca 0.41 -1.33 0.10 0.00 -0.13 0.00 0.00 55.73 54.78 2yrz s ARG 91 Cb -0.22 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 32.92 2yrz s ARG 91 CO 0.26 -0.02 -0.21 0.00 -0.81 0.00 0.00 175.30 174.53 2yrz s ALA 92 N -3.59 2.33 0.09 6.12 0.00 -1.25 -0.66 121.76 124.81 2yrz s ALA 92 Ca 0.11 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.53 2yrz s ALA 92 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2yrz s ALA 92 CO -0.05 0.32 -0.18 -1.14 0.00 0.00 0.00 175.76 174.70 2yrz s GLN 93 N -2.87 1.02 0.15 0.00 0.74 -1.25 -1.54 119.66 115.92 2yrz s GLN 93 Ca 0.20 -1.08 -0.04 0.00 0.05 0.00 0.00 55.36 54.49 2yrz s GLN 93 Cb -0.06 -1.19 -0.03 0.00 1.10 0.00 0.00 33.01 32.83 2yrz s GLN 93 CO 0.09 0.28 0.16 -1.54 -0.55 0.00 0.00 175.29 173.73 2yrz s SER 94 N -1.82 0.18 0.25 6.67 1.04 -0.55 -2.33 113.70 117.14 2yrz s SER 94 Ca 0.03 -1.09 0.07 0.00 0.48 0.00 0.00 55.95 55.44 2yrz s SER 94 Cb -0.10 0.37 0.74 0.00 0.10 0.00 0.00 66.02 67.13 2yrz s SER 94 CO 0.03 -0.81 1.16 1.67 0.98 0.00 0.00 173.24 176.27 2yrz n GLN 95 N -0.16 -0.05 0.35 4.02 -0.06 -1.26 0.07 117.38 120.29 2yrz n GLN 95 Ca -0.05 1.07 -0.14 0.00 -2.00 0.00 0.00 57.00 55.88 2yrz n GLN 95 Cb 0.64 -1.79 -0.07 0.00 -4.06 0.00 0.00 30.24 24.95 2yrz n GLN 95 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2yrz h GLU 96 N 0.00 -0.89 0.00 3.69 4.39 -1.96 -3.50 114.58 116.31 2yrz h GLU 96 Ca 0.52 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.28 2yrz h GLU 96 Cb 1.22 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 2yrz h GLU 96 CO -0.65 -0.59 0.00 0.41 -1.16 0.00 0.00 179.01 177.02 2yrz n GLY 97 N -0.66 -0.96 3.69 -3.84 0.00 0.11 -5.06 105.19 98.47 2yrz n GLY 97 Ca -0.11 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 3.34 0.00 1.61 0.52 -1.26 -1.48 118.94 118.66 2yrz s TRP 98 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 56.10 57.50 2yrz s TRP 98 Cb 0.00 -3.32 0.00 0.00 -1.15 0.00 0.00 33.47 29.00 2yrz s TRP 98 CO 0.00 -0.85 0.00 0.41 0.02 0.00 0.00 176.95 176.53 2yrz n GLY 99 N 3.24 1.28 3.93 0.98 0.00 -0.59 -4.94 105.19 109.10 2yrz n GLY 99 Ca 0.10 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 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 1.75 1.91 0.10 1.61 0.52 -1.19 -4.81 118.95 118.84 2yrz s ARG 100 Ca 0.00 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 2yrz s ARG 100 Cb 0.00 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 2yrz s ARG 100 CO 0.00 -1.45 -0.08 -1.83 0.02 0.00 0.00 175.30 171.96 2yrz s GLU 101 N -5.35 0.84 -0.13 3.54 4.04 -1.26 -3.80 118.70 116.59 2yrz s GLU 101 Ca 0.63 -1.24 -0.03 0.00 0.04 0.00 0.00 54.97 54.37 2yrz s GLU 101 Cb -0.09 -0.38 -0.03 0.00 0.02 0.00 0.00 34.13 33.65 2yrz s GLU 101 CO 0.46 0.04 -0.04 0.50 -1.84 0.00 0.00 175.26 174.38 2yrz s ARG 102 N -3.25 3.42 0.12 -4.83 6.06 0.45 -4.70 118.95 116.21 2yrz s ARG 102 Ca 0.08 -0.51 -0.28 0.00 -2.50 0.00 0.00 55.73 52.52 2yrz s ARG 102 Cb 0.01 -2.84 -0.06 0.00 0.06 0.00 0.00 34.95 32.12 2yrz s ARG 102 CO -0.02 0.38 0.88 -2.00 -2.50 0.00 0.00 175.30 172.04 2yrz s GLU 103 N -0.00 4.65 -0.43 5.12 2.12 -1.26 -1.85 118.70 127.04 2yrz s GLU 103 Ca 0.01 1.31 0.05 0.00 0.36 0.00 0.00 54.97 56.70 2yrz s GLU 103 Cb -0.13 -3.34 0.17 0.00 0.26 0.00 0.00 34.13 31.08 2yrz s GLU 103 CO 0.03 0.32 0.48 0.20 -0.54 0.00 0.00 175.26 175.74 2yrz s GLY 104 N -0.33 0.04 0.47 -1.50 0.00 0.18 -4.82 107.32 101.36 2yrz s GLY 104 Ca 0.42 -1.35 -0.22 0.00 0.00 0.00 0.00 44.72 43.58 2yrz s GLY 104 CO 0.28 2.81 1.09 0.14 0.00 0.00 0.00 173.10 177.42 2yrz s VAL 105 N 0.74 3.46 -0.00 1.40 1.01 -1.26 -1.41 120.40 124.34 2yrz s VAL 105 Ca 0.27 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 2yrz s VAL 105 Cb -0.03 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 2yrz s VAL 105 CO -0.10 -0.11 0.09 -0.51 0.00 0.00 0.00 175.10 174.47 2yrz s ILE 106 N -1.75 0.08 -0.14 2.22 1.10 -0.71 -4.90 121.20 117.10 2yrz s ILE 106 Ca 0.65 -0.63 0.02 0.00 -0.51 0.00 0.00 60.65 60.18 2yrz s ILE 106 Cb -0.22 -0.34 0.02 0.00 0.15 0.00 0.00 42.46 42.06 2yrz s ILE 106 CO 0.27 -0.34 -0.18 -0.89 -2.11 0.00 0.00 174.94 171.68 2yrz s THR 107 N -1.15 1.80 -0.32 4.00 2.01 -1.26 -0.70 115.64 120.02 2yrz s THR 107 Ca -0.12 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 2yrz s THR 107 Cb -0.07 -1.62 -0.00 0.00 0.01 0.00 0.00 72.50 70.81 2yrz s THR 107 CO 0.01 0.50 1.40 -0.63 -0.69 0.00 0.00 174.62 175.21 2yrz s ILE 108 N 1.07 3.98 -0.28 1.82 -1.09 -1.26 -4.99 121.20 120.45 2yrz s ILE 108 Ca -0.03 1.07 0.02 0.00 -2.23 0.00 0.00 60.65 59.49 2yrz s ILE 108 Cb -0.14 -4.07 0.06 0.00 -1.58 0.00 0.00 42.46 36.72 2yrz s ILE 108 CO -0.05 -0.52 -0.06 -1.61 -1.23 0.00 0.00 174.94 171.46 2yrz s GLU 109 N 4.51 2.21 -0.04 2.79 2.02 -1.26 -3.31 118.70 125.62 2yrz s GLU 109 Ca 0.61 -1.39 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 2yrz s GLU 109 Cb -0.17 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 2yrz s GLU 109 CO 0.27 -0.63 -0.14 0.45 0.02 0.00 0.00 175.26 175.24 2yrz n SER 110 N 4.46 1.26 -2.41 -0.19 2.88 -1.26 -4.75 113.62 113.61 2yrz n SER 110 Ca -0.12 0.19 -0.34 0.00 -1.33 0.00 0.00 58.87 57.27 2yrz n SER 110 Cb 0.42 -0.45 0.06 0.00 -0.75 0.00 0.00 64.21 63.50 2yrz n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yrz n GLN 111 N -3.77 2.84 -3.75 -1.46 -0.00 -1.26 -4.89 117.38 105.09 2yrz n GLN 111 Ca -0.10 -3.48 -0.26 0.00 -0.00 0.00 0.00 57.00 53.16 2yrz n GLN 111 Cb 0.33 -2.28 -0.17 0.00 -0.00 0.00 0.00 30.24 28.11 2yrz n GLN 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2yrz s VAL 112 N -4.87 0.48 -0.22 -0.39 1.01 -1.26 -5.11 120.40 110.03 2yrz s VAL 112 Ca 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2yrz s VAL 112 Cb 0.48 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 36.08 2yrz s VAL 112 CO -0.09 -0.00 -0.04 -0.94 0.00 0.00 0.00 175.10 174.03 2yrz s SER 113 N 1.90 3.65 0.00 3.32 1.04 -1.26 -5.01 113.70 117.34 2yrz s SER 113 Ca 0.02 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2yrz s SER 113 Cb -0.15 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.89 2yrz s SER 113 CO -0.07 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2yrz n GLY 114 N 4.74 3.61 3.55 7.32 0.00 -1.26 -5.04 105.19 118.11 2yrz n GLY 114 Ca -0.12 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 2yrz n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrz s PRO 115 N -2.37 2.61 0.57 1.61 0.04 -1.26 -4.98 135.00 131.22 2yrz s PRO 115 Ca 0.00 0.48 -0.16 0.00 0.04 0.00 0.00 61.00 61.36 2yrz s PRO 115 Cb 0.00 -4.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.00 2yrz s PRO 115 CO 0.00 -2.84 1.04 0.45 0.04 0.00 0.00 177.00 175.69 2yrz s SER 116 N 8.12 6.04 0.09 6.66 0.15 -1.26 -4.98 113.70 128.52 2yrz s SER 116 Ca 0.68 1.75 -0.26 0.00 0.70 0.00 0.00 55.95 58.81 2yrz s SER 116 Cb -0.12 -2.53 -0.13 0.00 -1.71 0.00 0.00 66.02 61.54 2yrz s SER 116 CO 0.17 -0.99 1.68 0.77 1.20 0.00 0.00 173.24 176.08 2yrz h SER 117 N 0.61 -0.41 0.00 5.45 4.64 -2.07 -3.56 113.55 118.21 2yrz h SER 117 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2yrz h SER 117 Cb 1.21 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2yrz h SER 117 CO 0.59 -0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.91