#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 6.65 0.30 1.61 0.15 -1.26 -4.95 113.70 116.20 2yrz s SER 2 Ca 0.00 1.35 -0.25 0.00 0.70 0.00 0.00 55.95 57.75 2yrz s SER 2 Cb 0.00 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.61 2yrz s SER 2 CO 0.00 -1.08 0.43 -1.54 1.20 0.00 0.00 173.24 172.25 2yrz n SER 3 N 7.66 -1.51 -3.09 5.45 3.41 -1.26 -4.93 113.62 119.35 2yrz n SER 3 Ca 0.15 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 2yrz n SER 3 Cb 0.46 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 2.02 -3.35 1.24 5.00 0.00 -1.26 -5.04 105.19 103.80 2yrz n GLY 4 Ca 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.35 0.00 -3.98 1.61 3.41 -1.26 -5.11 113.62 105.94 2yrz n SER 5 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2yrz n SER 5 Cb 0.00 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 -5.00 0.25 -0.46 4.04 0.15 -1.26 -5.12 113.70 106.31 2yrz s SER 6 Ca 0.00 -0.59 -0.29 0.00 0.70 0.00 0.00 55.95 55.77 2yrz s SER 6 Cb 0.00 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 2yrz s SER 6 CO 0.00 -0.44 1.17 -0.83 1.20 0.00 0.00 173.24 174.35 2yrz s GLY 7 N -1.98 1.28 0.02 9.45 0.00 -1.26 -4.99 107.32 109.84 2yrz s GLY 7 Ca -0.07 -0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 2yrz s GLY 7 CO -0.04 2.46 0.11 -1.35 0.00 0.00 0.00 173.10 174.28 2yrz s SER 8 N 2.61 0.11 0.20 1.64 1.04 -1.26 -5.13 113.70 112.91 2yrz s SER 8 Ca 0.50 -0.37 -0.33 0.00 0.48 0.00 0.00 55.95 56.23 2yrz s SER 8 Cb -0.08 0.21 -0.14 0.00 0.10 0.00 0.00 66.02 66.10 2yrz s SER 8 CO 0.31 -0.43 1.41 1.41 0.98 0.00 0.00 173.24 176.92 2yrz n HIS 9 N 1.16 2.01 -4.26 5.02 -0.00 -1.26 -4.99 115.22 112.91 2yrz n HIS 9 Ca -0.21 0.44 -0.14 0.00 -0.00 0.00 0.00 57.72 57.81 2yrz n HIS 9 Cb 0.57 -2.44 -0.10 0.00 -0.00 0.00 0.00 29.99 28.01 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 0.41 1.12 0.03 0.41 1.01 -1.26 -5.17 116.67 113.23 2yrz s ASP 10 Ca 0.73 -1.24 -0.29 0.00 0.71 0.00 0.00 52.55 52.46 2yrz s ASP 10 Cb -0.71 0.15 0.10 0.00 1.01 0.00 0.00 42.92 43.47 2yrz s ASP 10 CO 0.47 -0.63 1.09 -0.55 0.21 0.00 0.00 175.17 175.75 2yrz s SER 11 N -3.21 -0.16 -1.15 0.27 0.15 -1.26 -5.01 113.70 103.33 2yrz s SER 11 Ca 0.28 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 2yrz s SER 11 Cb 0.07 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2yrz s SER 11 CO 0.07 -0.57 0.96 0.54 1.20 0.00 0.00 173.24 175.44 2yrz n ARG 12 N -0.39 -6.41 -3.46 5.44 5.12 -1.26 -5.02 116.66 110.68 2yrz n ARG 12 Ca -0.06 0.80 -0.15 0.00 -1.93 0.00 0.00 57.85 56.50 2yrz n ARG 12 Cb 0.61 -5.67 -0.04 0.00 -1.16 0.00 0.00 32.46 26.19 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 -4.05 0.00 -3.62 0.55 4.77 -1.26 -5.10 117.00 108.29 2yrz n LEU 13 Ca -0.24 -1.91 -0.39 0.00 -0.03 0.00 0.00 56.01 53.44 2yrz n LEU 13 Cb 0.65 0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 42.37 2yrz n LEU 13 CO 0.58 -0.30 -0.06 0.41 -1.33 0.00 0.00 177.39 176.70 2yrz n THR 14 N -0.55 1.50 -0.06 -5.08 -1.04 -1.26 -4.90 114.28 102.88 2yrz n THR 14 Ca -0.03 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.05 61.49 2yrz n THR 14 Cb 0.37 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.81 2yrz n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yrz n ALA 15 N -0.12 1.72 -0.50 2.41 0.00 -1.26 -4.60 120.51 118.17 2yrz n ALA 15 Ca 0.14 -0.64 -0.00 0.00 0.00 0.00 0.00 53.44 52.94 2yrz n ALA 15 Cb 0.22 0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 2.61 2.51 3.71 0.00 0.00 -1.26 -4.85 105.19 107.90 2yrz n GLY 16 Ca -0.21 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.01 4.09 -0.14 1.61 -7.23 -1.26 -4.28 120.40 113.19 2yrz s VAL 17 Ca 0.00 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2yrz s VAL 17 Cb 0.00 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2yrz s VAL 17 CO -0.00 0.04 1.55 -2.16 -0.31 0.00 0.00 175.10 174.22 2yrz s PRO 18 N -2.56 4.06 1.30 4.82 0.04 -1.26 -4.67 135.00 136.73 2yrz s PRO 18 Ca 0.27 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 63.00 2yrz s PRO 18 Cb -0.11 -3.95 0.31 0.00 0.04 0.00 0.00 34.50 30.79 2yrz s PRO 18 CO 0.20 -0.97 0.70 -3.47 0.04 0.00 0.00 177.00 173.50 2yrz n ASP 19 N 7.47 -3.73 -4.72 6.66 -0.08 -0.75 -2.59 116.55 118.81 2yrz n ASP 19 Ca 0.17 -0.69 -0.42 0.00 -1.51 0.00 0.00 54.79 52.34 2yrz n ASP 19 Cb 0.44 -0.93 -0.03 0.00 2.34 0.00 0.00 41.12 42.94 2yrz n ASP 19 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2yrz s THR 20 N -2.10 2.81 0.58 5.18 2.01 -1.26 -4.26 115.64 118.60 2yrz s THR 20 Ca 0.56 0.58 -0.18 0.00 0.31 0.00 0.00 61.69 62.96 2yrz s THR 20 Cb -0.10 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2yrz s THR 20 CO 0.48 0.05 1.12 -2.16 -0.69 0.00 0.00 174.62 173.42 2yrz s PRO 21 N 1.08 3.17 1.15 4.92 0.04 -1.26 -4.91 135.00 139.20 2yrz s PRO 21 Ca 0.68 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 63.09 2yrz s PRO 21 Cb -0.42 -1.99 0.26 0.00 0.04 0.00 0.00 34.50 32.40 2yrz s PRO 21 CO 0.31 -0.98 1.09 0.99 0.04 0.00 0.00 177.00 178.45 2yrz s THR 22 N -1.96 1.73 0.81 1.26 2.01 -1.26 -4.49 115.64 113.74 2yrz s THR 22 Ca 0.71 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 2yrz s THR 22 Cb -0.23 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2yrz s THR 22 CO 0.32 0.00 0.21 -2.11 -0.69 0.00 0.00 174.62 172.35 2yrz n ARG 23 N -4.63 0.06 -3.98 4.92 1.85 -1.26 -4.62 116.66 108.99 2yrz n ARG 23 Ca 0.10 0.05 -0.22 0.00 -1.00 0.00 0.00 57.85 56.78 2yrz n ARG 23 Cb 0.59 -1.62 -0.03 0.00 -1.05 0.00 0.00 32.46 30.35 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 1.39 4.27 -0.20 2.89 1.43 -1.26 -4.57 118.68 122.63 2yrz s LEU 24 Ca 0.58 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2yrz s LEU 24 Cb -0.30 -2.82 0.03 0.00 0.03 0.00 0.00 46.19 43.13 2yrz s LEU 24 CO 0.66 -0.03 -0.16 -0.69 0.23 0.00 0.00 176.35 176.35 2yrz s VAL 25 N -1.92 1.99 -0.14 -1.59 1.01 0.36 -4.89 120.40 115.22 2yrz s VAL 25 Ca 0.34 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2yrz s VAL 25 Cb -0.09 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2yrz s VAL 25 CO 0.28 0.33 0.13 -0.36 0.00 0.00 0.00 175.10 175.49 2yrz s PHE 26 N 1.27 3.53 -0.24 5.22 0.40 -1.25 -1.13 117.98 125.78 2yrz s PHE 26 Ca 0.00 0.46 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 2yrz s PHE 26 Cb -0.15 -1.98 -0.16 0.00 0.51 0.00 0.00 43.02 41.23 2yrz s PHE 26 CO -0.10 0.62 -0.21 0.45 0.70 0.00 0.00 175.22 176.68 2yrz n SER 27 N 2.35 2.05 -3.21 1.36 2.88 -0.87 -4.92 113.62 113.26 2yrz n SER 27 Ca -0.19 -0.13 -0.15 0.00 -1.33 0.00 0.00 58.87 57.07 2yrz n SER 27 Cb 0.54 -0.34 0.08 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.99 -0.39 -1.46 0.00 -1.26 -4.81 120.51 107.41 2yrz n ALA 28 Ca -0.43 -0.01 0.38 0.00 0.00 0.00 0.00 53.44 53.38 2yrz n ALA 28 Cb 0.96 -3.08 0.63 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.56 0.00 0.00 0.00 -0.00 -1.84 -3.44 115.31 108.47 2yrz h LEU 29 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 2yrz h LEU 29 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 2yrz h LEU 29 CO 0.45 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.50 2yrz n GLY 30 N -1.79 1.36 0.18 0.83 0.00 -1.10 -4.94 105.19 99.73 2yrz n GLY 30 Ca 0.30 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.14 132.00 128.67 2yrz h PRO 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2yrz h PRO 31 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yrz h PRO 31 CO 0.00 0.44 -0.00 0.25 -0.23 0.00 0.00 178.00 178.45 2yrz n THR 32 N -3.87 1.80 -4.05 1.56 -2.24 -1.26 -4.14 114.28 102.08 2yrz n THR 32 Ca -0.01 -2.14 -0.13 0.00 -2.27 0.00 0.00 64.05 59.50 2yrz n THR 32 Cb 0.48 -0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.69 0.63 0.20 3.42 1.04 -1.19 -1.56 113.70 113.56 2yrz s SER 33 Ca 0.29 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 2yrz s SER 33 Cb 0.25 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2yrz s SER 33 CO 0.03 -0.17 0.52 -0.76 0.98 0.00 0.00 173.24 173.84 2yrz s LEU 34 N -1.22 0.12 -0.24 2.42 1.43 0.46 -2.73 118.68 118.91 2yrz s LEU 34 Ca -0.09 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2yrz s LEU 34 Cb -0.08 2.10 0.10 0.00 0.03 0.00 0.00 46.19 48.35 2yrz s LEU 34 CO -0.00 -1.07 0.21 -0.60 0.23 0.00 0.00 176.35 175.12 2yrz s ARG 35 N -3.89 0.22 -0.12 1.70 3.52 -1.26 0.89 118.95 120.00 2yrz s ARG 35 Ca 0.11 -0.07 -0.16 0.00 -0.13 0.00 0.00 55.73 55.48 2yrz s ARG 35 Cb -0.01 -1.08 -0.05 0.00 -1.56 0.00 0.00 34.95 32.25 2yrz s ARG 35 CO -0.01 -0.84 0.38 0.08 -0.81 0.00 0.00 175.30 174.10 2yrz s VAL 36 N 2.28 5.23 -0.05 7.11 1.01 0.15 -2.05 120.40 134.07 2yrz s VAL 36 Ca 0.08 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2yrz s VAL 36 Cb -0.15 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2yrz s VAL 36 CO -0.23 0.39 -0.11 -0.55 0.00 0.00 0.00 175.10 174.60 2yrz s SER 37 N 0.32 1.55 0.28 3.32 0.15 -0.29 -0.34 113.70 118.70 2yrz s SER 37 Ca 0.21 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2yrz s SER 37 Cb -0.14 -0.62 -0.00 0.00 -1.71 0.00 0.00 66.02 63.54 2yrz s SER 37 CO 0.08 0.04 0.02 -2.67 1.20 0.00 0.00 173.24 171.90 2yrz n TRP 38 N 3.64 0.56 -5.22 3.44 2.14 0.12 -0.49 117.44 121.64 2yrz n TRP 38 Ca -0.22 -1.44 -0.32 0.00 2.07 0.00 0.00 57.50 57.60 2yrz n TRP 38 Cb 0.52 -0.15 -0.16 0.00 -0.81 0.00 0.00 31.31 30.71 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 -3.01 2.60 -0.30 -2.67 2.00 -1.26 -4.76 119.66 112.26 2yrz s GLN 39 Ca 0.02 -0.88 -0.30 0.00 -2.00 0.00 0.00 55.36 52.20 2yrz s GLN 39 Cb 0.00 -2.20 -0.08 0.00 0.80 0.00 0.00 33.01 31.53 2yrz s GLN 39 CO 0.02 0.38 2.24 -1.91 -0.50 0.00 0.00 175.29 175.52 2yrz n GLU 40 N 2.95 1.55 -1.13 1.67 2.13 -1.26 -4.33 120.64 122.22 2yrz n GLU 40 Ca -0.17 0.40 -0.29 0.00 0.66 0.00 0.00 57.16 57.75 2yrz n GLU 40 Cb 0.52 -2.97 0.20 0.00 0.27 0.00 0.00 31.44 29.46 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 6.53 -0.20 0.25 5.31 0.04 -1.26 -5.00 135.00 140.68 2yrz s PRO 41 Ca 1.04 0.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 2yrz s PRO 41 Cb -0.51 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 2yrz s PRO 41 CO 0.39 -3.11 0.99 -0.98 0.04 0.00 0.00 177.00 174.33 2yrz s ARG 42 N -5.11 4.79 -0.30 4.56 1.70 -1.26 -4.86 118.95 118.47 2yrz s ARG 42 Ca 0.67 1.58 -0.10 0.00 -0.47 0.00 0.00 55.73 57.41 2yrz s ARG 42 Cb -0.16 -3.24 0.16 0.00 -0.57 0.00 0.00 34.95 31.14 2yrz s ARG 42 CO 0.57 0.42 0.79 0.00 -1.08 0.00 0.00 175.30 176.01 2yrz h GLU 44 N 7.83 0.00 -6.22 0.00 4.81 -1.85 -3.41 114.58 115.74 2yrz h GLU 44 Ca -0.18 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.46 2yrz h GLU 44 Cb 1.12 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 2yrz h GLU 44 CO 0.10 0.00 -0.59 1.03 -0.73 0.00 0.00 179.01 178.83 2yrz s ARG 45 N -4.72 2.83 0.11 1.92 1.81 -1.26 -5.08 118.95 114.56 2yrz s ARG 45 Ca -0.05 -0.85 -0.31 0.00 -1.72 0.00 0.00 55.73 52.81 2yrz s ARG 45 Cb 0.16 -2.63 -0.08 0.00 -0.45 0.00 0.00 34.95 31.95 2yrz s ARG 45 CO 0.58 0.50 1.36 -1.25 -0.68 0.00 0.00 175.30 175.82 2yrz s PRO 46 N -2.87 4.34 0.62 3.54 0.04 -1.26 -4.82 135.00 134.58 2yrz s PRO 46 Ca 0.30 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 2yrz s PRO 46 Cb -0.11 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 2yrz s PRO 46 CO 0.22 -0.40 1.07 -0.51 0.04 0.00 0.00 177.00 177.42 2yrz s LEU 47 N 1.01 3.43 -0.05 -3.56 1.43 -1.26 -3.44 118.68 116.24 2yrz s LEU 47 Ca 0.63 1.83 0.12 0.00 -1.03 0.00 0.00 54.13 55.68 2yrz s LEU 47 Cb -0.36 -4.53 -0.18 0.00 0.03 0.00 0.00 46.19 41.15 2yrz s LEU 47 CO 0.31 -1.29 0.20 0.00 0.23 0.00 0.00 176.35 175.79 2yrz n GLN 48 N -2.24 0.96 -0.68 1.70 6.02 -0.92 -4.74 117.38 117.49 2yrz n GLN 48 Ca 0.09 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2yrz n GLN 48 Cb 0.53 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.48 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 1.95 -0.73 3.45 1.08 0.00 -1.26 -3.48 105.19 106.20 2yrz n GLY 49 Ca -0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.78 0.58 -0.04 1.61 2.02 -1.13 -3.56 117.35 113.04 2yrz s TYR 50 Ca 0.00 -0.90 -0.02 0.00 -0.37 0.00 0.00 57.07 55.78 2yrz s TYR 50 Cb 0.00 -0.04 0.03 0.00 -0.40 0.00 0.00 41.96 41.55 2yrz s TYR 50 CO 0.00 -0.86 0.07 0.45 -1.57 0.00 0.00 175.55 173.64 2yrz s SER 51 N -3.05 0.65 -0.36 2.29 0.15 -0.46 -0.73 113.70 112.19 2yrz s SER 51 Ca 0.26 0.12 0.01 0.00 0.70 0.00 0.00 55.95 57.05 2yrz s SER 51 Cb 0.02 -0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.40 2yrz s SER 51 CO 0.09 -0.20 0.10 -0.69 1.20 0.00 0.00 173.24 173.73 2yrz s VAL 52 N 1.77 2.65 -0.30 4.45 1.01 0.81 -0.02 120.40 130.77 2yrz s VAL 52 Ca -0.01 -2.22 -0.14 0.00 0.00 0.00 0.00 61.98 59.61 2yrz s VAL 52 Cb -0.12 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2yrz s VAL 52 CO -0.04 -0.61 0.34 -1.61 0.00 0.00 0.00 175.10 173.18 2yrz s GLU 53 N 1.00 3.84 -0.01 2.72 2.02 -0.76 -1.30 118.70 126.21 2yrz s GLU 53 Ca 0.09 -0.19 0.05 0.00 0.02 0.00 0.00 54.97 54.94 2yrz s GLU 53 Cb -0.20 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 30.30 2yrz s GLU 53 CO -0.06 -0.36 -0.15 1.52 0.02 0.00 0.00 175.26 176.23 2yrz s TYR 54 N 2.01 1.34 0.06 1.61 1.13 0.14 -0.44 117.35 123.19 2yrz s TYR 54 Ca 0.13 -0.26 -0.26 0.00 -1.41 0.00 0.00 57.07 55.26 2yrz s TYR 54 Cb -0.16 -0.85 0.07 0.00 -1.10 0.00 0.00 41.96 39.91 2yrz s TYR 54 CO 0.11 -0.01 0.62 1.14 -2.51 0.00 0.00 175.55 174.90 2yrz s GLN 55 N -0.44 1.15 -0.08 -3.49 -2.07 -1.18 -0.83 119.66 112.73 2yrz s GLN 55 Ca 0.05 -0.13 -0.38 0.00 -1.82 0.00 0.00 55.36 53.08 2yrz s GLN 55 Cb -0.06 0.54 -0.16 0.00 -1.09 0.00 0.00 33.01 32.24 2yrz s GLN 55 CO -0.00 -0.44 1.54 1.28 -1.32 0.00 0.00 175.29 176.35 2yrz n LEU 56 N 0.27 2.07 -0.12 2.60 4.77 -1.26 -1.21 117.00 124.12 2yrz n LEU 56 Ca -0.18 1.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.80 2yrz n LEU 56 Cb 0.61 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 2yrz n LEU 56 CO 0.18 -0.72 0.59 0.25 -1.33 0.00 0.00 177.39 176.35 2yrz h LEU 57 N 5.91 -1.37 -0.82 2.23 5.85 -1.87 0.07 115.31 125.31 2yrz h LEU 57 Ca -0.47 0.21 0.16 0.00 0.84 0.00 0.00 57.88 58.62 2yrz h LEU 57 Cb 1.32 0.60 -0.10 0.00 0.37 0.00 0.00 40.66 42.85 2yrz h LEU 57 CO 0.87 -0.36 0.37 -0.55 -0.34 0.00 0.00 178.44 178.42 2yrz h ASN 58 N -0.33 0.38 0.00 1.25 7.08 -1.88 -3.47 115.58 118.61 2yrz h ASN 58 Ca 0.14 0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.47 2yrz h ASN 58 Cb 0.58 0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.89 2yrz h ASN 58 CO -0.56 0.13 0.00 0.61 -2.08 0.00 0.00 177.43 175.53 2yrz n GLY 59 N -1.33 3.67 0.00 9.14 0.00 0.01 -5.19 105.19 111.49 2yrz n GLY 59 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.18 3.67 -0.02 0.00 -1.26 -4.90 105.19 103.86 2yrz n GLY 60 Ca 0.00 -0.61 -0.48 0.00 0.00 0.00 0.00 46.02 44.94 2yrz n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yrz n GLU 61 N 0.00 2.06 -3.33 1.61 2.13 -1.26 -4.74 120.64 117.10 2yrz n GLU 61 Ca 0.00 0.75 -0.38 0.00 0.66 0.00 0.00 57.16 58.18 2yrz n GLU 61 Cb 0.00 -2.54 -0.06 0.00 0.27 0.00 0.00 31.44 29.11 2yrz n GLU 61 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2yrz s LEU 62 N 2.32 4.49 -0.20 4.31 2.96 -1.26 -4.38 118.68 126.92 2yrz s LEU 62 Ca 0.86 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2yrz s LEU 62 Cb -0.72 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.19 2yrz s LEU 62 CO 0.45 0.26 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.59 2yrz s HIS 63 N -0.94 2.90 -0.21 5.38 3.76 -0.01 -5.01 115.29 121.16 2yrz s HIS 63 Ca 0.28 -1.65 -0.06 0.00 -0.15 0.00 0.00 55.06 53.47 2yrz s HIS 63 Cb -0.18 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2yrz s HIS 63 CO 0.17 -0.78 0.03 0.50 -0.85 0.00 0.00 174.74 173.81 2yrz s ARG 64 N 1.29 3.67 -0.13 1.40 3.52 -1.26 -0.69 118.95 126.75 2yrz s ARG 64 Ca 0.03 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2yrz s ARG 64 Cb -0.14 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 2yrz s ARG 64 CO -0.10 -0.02 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.75 2yrz s LEU 65 N 1.13 2.90 -0.03 -0.88 1.43 -0.42 -4.96 118.68 117.85 2yrz s LEU 65 Ca 0.03 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2yrz s LEU 65 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2yrz s LEU 65 CO 0.02 0.20 -0.04 0.20 0.23 0.00 0.00 176.35 176.96 2yrz s ASN 66 N 0.18 4.85 -0.34 2.29 -0.87 -1.26 -0.14 114.94 119.65 2yrz s ASN 66 Ca -0.06 -0.03 -0.05 0.00 -1.57 0.00 0.00 52.86 51.15 2yrz s ASN 66 Cb -0.15 -1.23 0.05 0.00 -0.02 0.00 0.00 41.25 39.90 2yrz s ASN 66 CO 0.04 0.32 0.09 -0.63 -2.57 0.00 0.00 177.10 174.35 2yrz s ILE 67 N -0.95 3.57 -2.00 0.60 -1.09 0.09 -4.95 121.20 116.46 2yrz s ILE 67 Ca 0.16 -1.26 0.10 0.00 -2.23 0.00 0.00 60.65 57.42 2yrz s ILE 67 Cb -0.11 -3.06 0.28 0.00 -1.58 0.00 0.00 42.46 37.99 2yrz s ILE 67 CO 0.06 -0.20 1.03 -0.81 -1.23 0.00 0.00 174.94 173.79 2yrz n PRO 68 N 4.75 0.49 -3.89 2.79 -0.04 -1.26 -2.84 135.00 135.01 2yrz n PRO 68 Ca -0.12 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.06 2yrz n PRO 68 Cb 0.44 -1.32 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 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 2.72 0.00 3.54 2.47 -1.26 -4.90 114.94 115.69 2yrz s ASN 69 Ca 0.15 -0.61 0.15 0.00 0.42 0.00 0.00 52.86 52.97 2yrz s ASN 69 Cb 0.07 -0.89 0.73 0.00 -1.45 0.00 0.00 41.25 39.71 2yrz s ASN 69 CO 0.11 -0.18 1.41 -0.81 -3.72 0.00 0.00 177.10 173.92 2yrz n PRO 70 N 4.89 0.18 -0.06 0.43 -0.04 -1.23 -2.40 135.00 136.78 2yrz n PRO 70 Ca -0.12 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2yrz n PRO 70 Cb 0.48 -1.50 -0.15 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 -1.31 1.49 -2.21 0.55 0.00 -1.26 -4.80 120.51 112.96 2yrz n ALA 71 Ca 0.06 -1.05 -0.39 0.00 0.00 0.00 0.00 53.44 52.07 2yrz n ALA 71 Cb 0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.54 2.82 -0.53 0.00 0.74 -1.01 -4.84 119.66 114.29 2yrz s GLN 72 Ca -0.07 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.63 2yrz s GLN 72 Cb 0.07 -4.34 0.48 0.00 1.10 0.00 0.00 33.01 30.33 2yrz s GLN 72 CO 0.83 -2.55 1.96 0.25 -0.55 0.00 0.00 175.29 175.23 2yrz n THR 73 N 6.94 3.31 -3.64 -0.34 -2.24 -1.26 -4.88 114.28 112.18 2yrz n THR 73 Ca 0.15 -2.34 -0.09 0.00 -2.27 0.00 0.00 64.05 59.49 2yrz n THR 73 Cb 0.51 -0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 2yrz n THR 73 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2yrz s SER 74 N -1.33 -0.63 0.02 3.42 0.01 -1.26 0.13 113.70 114.06 2yrz s SER 74 Ca 0.56 1.15 0.02 0.00 1.31 0.00 0.00 55.95 58.99 2yrz s SER 74 Cb 0.45 1.19 -0.02 0.00 0.21 0.00 0.00 66.02 67.86 2yrz s SER 74 CO 0.03 -0.19 -0.06 0.54 0.41 0.00 0.00 173.24 173.97 2yrz s VAL 75 N 0.65 0.45 -0.28 3.43 0.11 0.54 -4.98 120.40 120.33 2yrz s VAL 75 Ca -0.02 -0.75 -0.15 0.00 -2.93 0.00 0.00 61.98 58.14 2yrz s VAL 75 Cb -0.05 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2yrz s VAL 75 CO -0.07 -0.21 0.36 -0.69 -3.33 0.00 0.00 175.10 171.15 2yrz s VAL 76 N -0.92 5.18 -0.22 2.04 1.01 -1.26 -0.68 120.40 125.55 2yrz s VAL 76 Ca -0.06 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 2yrz s VAL 76 Cb -0.07 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2yrz s VAL 76 CO 0.00 0.14 0.13 -0.69 0.00 0.00 0.00 175.10 174.68 2yrz s VAL 77 N 2.05 5.15 0.21 2.92 1.01 0.26 -4.92 120.40 127.07 2yrz s VAL 77 Ca 0.14 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.24 2yrz s VAL 77 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2yrz s VAL 77 CO 0.10 0.38 0.07 -0.62 0.00 0.00 0.00 175.10 175.03 2yrz n GLU 78 N 4.11 0.80 -3.35 2.72 1.02 -1.26 0.17 120.64 124.85 2yrz n GLU 78 Ca -0.16 -1.73 -0.16 0.00 -0.02 0.00 0.00 57.16 55.09 2yrz n GLU 78 Cb 0.52 0.91 0.08 0.00 -0.02 0.00 0.00 31.44 32.93 2yrz n GLU 78 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yrz n ASP 79 N -1.75 -2.44 -3.70 1.62 9.92 -0.60 -4.94 116.55 114.66 2yrz n ASP 79 Ca -0.03 -0.57 -0.16 0.00 -0.53 0.00 0.00 54.79 53.50 2yrz n ASP 79 Cb 0.31 -4.81 -0.00 0.00 -0.64 0.00 0.00 41.12 35.98 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 -4.00 0.00 -4.54 0.64 4.77 -1.22 -5.09 117.00 107.57 2yrz n LEU 80 Ca -0.24 -1.73 -0.34 0.00 -0.03 0.00 0.00 56.01 53.67 2yrz n LEU 80 Cb 0.65 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.61 2yrz n LEU 80 CO 0.57 -0.45 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.03 2yrz s LEU 81 N 0.00 3.07 0.41 2.23 1.43 -1.26 -4.72 118.68 119.83 2yrz s LEU 81 Ca 0.18 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.94 2yrz s LEU 81 Cb -0.01 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 2yrz s LEU 81 CO 0.11 0.32 1.19 -2.16 0.23 0.00 0.00 176.35 176.04 2yrz s PRO 82 N -0.56 4.01 -1.36 1.29 0.04 -1.26 -3.48 135.00 133.69 2yrz s PRO 82 Ca 0.08 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 2yrz s PRO 82 Cb -0.12 -2.66 0.02 0.00 0.04 0.00 0.00 34.50 31.79 2yrz s PRO 82 CO 0.02 -0.37 0.87 0.09 0.04 0.00 0.00 177.00 177.65 2yrz n ASN 83 N 0.02 -2.77 -3.74 6.66 5.03 -1.21 -4.99 115.26 114.26 2yrz n ASN 83 Ca 0.05 -0.75 -0.15 0.00 0.87 0.00 0.00 54.58 54.59 2yrz n ASN 83 Cb 0.46 -4.27 -0.15 0.00 -1.02 0.00 0.00 39.78 34.80 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 -3.50 -0.07 0.77 3.10 3.76 -1.23 -4.93 115.29 113.20 2yrz s HIS 84 Ca 0.23 0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 55.38 2yrz s HIS 84 Cb -0.11 -0.20 0.06 0.00 1.11 0.00 0.00 32.58 33.43 2yrz s HIS 84 CO 0.80 -0.15 1.09 -1.54 -0.85 0.00 0.00 174.74 174.08 2yrz s SER 85 N 1.36 4.54 -0.24 1.40 1.04 -1.26 -3.61 113.70 116.92 2yrz s SER 85 Ca -0.06 1.74 -0.10 0.00 0.48 0.00 0.00 55.95 58.00 2yrz s SER 85 Cb -0.12 -2.46 0.10 0.00 0.10 0.00 0.00 66.02 63.63 2yrz s SER 85 CO -0.05 -2.00 0.55 -0.31 0.98 0.00 0.00 173.24 172.41 2yrz s TYR 86 N -2.94 -1.01 -0.59 5.02 2.02 -0.50 -3.13 117.35 116.22 2yrz s TYR 86 Ca 0.61 1.88 -0.25 0.00 -0.37 0.00 0.00 57.07 58.94 2yrz s TYR 86 Cb -0.17 0.53 0.04 0.00 -0.40 0.00 0.00 41.96 41.97 2yrz s TYR 86 CO 0.56 -0.53 1.00 0.54 -1.57 0.00 0.00 175.55 175.54 2yrz s VAL 87 N 2.36 4.29 -0.30 0.71 0.11 -0.35 -1.58 120.40 125.63 2yrz s VAL 87 Ca -0.06 0.24 -0.17 0.00 -2.93 0.00 0.00 61.98 59.06 2yrz s VAL 87 Cb -0.10 -4.61 -0.02 0.00 -1.53 0.00 0.00 36.38 30.11 2yrz s VAL 87 CO -0.16 -1.26 0.48 -0.36 -3.33 0.00 0.00 175.10 170.47 2yrz s PHE 88 N 4.22 3.23 -0.33 1.54 0.40 -0.58 -3.13 117.98 123.33 2yrz s PHE 88 Ca 0.31 0.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 2yrz s PHE 88 Cb -0.12 -2.76 0.08 0.00 0.51 0.00 0.00 43.02 40.73 2yrz s PHE 88 CO 0.18 -0.36 0.04 1.03 0.70 0.00 0.00 175.22 176.81 2yrz s ARG 89 N 2.28 2.02 -0.02 0.44 0.52 0.42 -0.31 118.95 124.30 2yrz s ARG 89 Ca 0.19 -1.59 -0.21 0.00 -0.52 0.00 0.00 55.73 53.60 2yrz s ARG 89 Cb -0.16 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 2yrz s ARG 89 CO 0.11 -0.81 0.60 0.08 0.02 0.00 0.00 175.30 175.30 2yrz s VAL 90 N 1.10 4.93 0.20 3.52 1.01 -0.87 -1.82 120.40 128.47 2yrz s VAL 90 Ca 0.02 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.29 2yrz s VAL 90 Cb -0.20 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2yrz s VAL 90 CO -0.05 0.39 0.00 -0.60 0.00 0.00 0.00 175.10 174.85 2yrz s ARG 91 N -0.03 1.23 0.18 2.72 3.52 0.97 -0.75 118.95 126.78 2yrz s ARG 91 Ca 0.32 -1.61 0.09 0.00 -0.13 0.00 0.00 55.73 54.40 2yrz s ARG 91 Cb -0.18 -0.43 -0.04 0.00 -1.56 0.00 0.00 34.95 32.74 2yrz s ARG 91 CO 0.17 -0.12 -0.19 0.00 -0.81 0.00 0.00 175.30 174.35 2yrz s ALA 92 N -3.55 2.11 -0.01 6.12 0.00 -1.25 -1.35 121.76 123.82 2yrz s ALA 92 Ca 0.27 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.72 2yrz s ALA 92 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2yrz s ALA 92 CO 0.07 0.25 -0.11 -1.14 0.00 0.00 0.00 175.76 174.83 2yrz s GLN 93 N -2.88 0.94 0.15 0.00 0.74 -1.23 -2.62 119.66 114.76 2yrz s GLN 93 Ca 0.18 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.22 2yrz s GLN 93 Cb -0.06 -0.90 -0.04 0.00 1.10 0.00 0.00 33.01 33.11 2yrz s GLN 93 CO 0.07 0.21 -0.01 -1.54 -0.55 0.00 0.00 175.29 173.47 2yrz s SER 94 N -0.13 1.11 0.25 6.67 1.04 -0.99 -2.16 113.70 119.49 2yrz s SER 94 Ca 0.02 -1.14 0.08 0.00 0.48 0.00 0.00 55.95 55.39 2yrz s SER 94 Cb -0.06 0.13 0.78 0.00 0.10 0.00 0.00 66.02 66.98 2yrz s SER 94 CO -0.00 -0.56 1.17 1.67 0.98 0.00 0.00 173.24 176.49 2yrz n GLN 95 N -0.19 -0.05 0.31 4.02 7.27 -1.22 -0.07 117.38 127.44 2yrz n GLN 95 Ca -0.08 1.07 -0.12 0.00 0.07 0.00 0.00 57.00 57.94 2yrz n GLN 95 Cb 0.63 -1.80 -0.06 0.00 2.41 0.00 0.00 30.24 31.42 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 -0.76 0.00 3.69 4.39 -1.92 -3.50 114.58 116.48 2yrz h GLU 96 Ca 0.54 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.29 2yrz h GLU 96 Cb 1.29 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2yrz h GLU 96 CO -0.63 -0.51 0.00 0.41 -1.16 0.00 0.00 179.01 177.12 2yrz n GLY 97 N -0.83 -1.30 3.68 -3.84 0.00 0.90 -5.06 105.19 98.74 2yrz n GLY 97 Ca -0.10 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 3.24 0.00 1.61 0.52 -1.26 -2.34 118.94 117.71 2yrz s TRP 98 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 56.10 57.41 2yrz s TRP 98 Cb 0.00 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 2yrz s TRP 98 CO 0.00 -1.08 0.00 0.41 0.02 0.00 0.00 176.95 176.30 2yrz n GLY 99 N 3.32 0.74 4.00 0.98 0.00 -1.08 -4.94 105.19 108.22 2yrz n GLY 99 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2yrz n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yrz s ARG 100 N 1.47 2.69 0.14 1.61 0.52 -1.07 -4.91 118.95 119.40 2yrz s ARG 100 Ca 0.00 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 53.87 2yrz s ARG 100 Cb 0.00 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 2yrz s ARG 100 CO 0.00 -0.38 -0.04 -1.83 0.02 0.00 0.00 175.30 173.07 2yrz s GLU 101 N -4.39 0.99 -0.08 3.54 4.04 -1.26 -3.84 118.70 117.71 2yrz s GLU 101 Ca 0.55 -1.44 0.01 0.00 0.04 0.00 0.00 54.97 54.13 2yrz s GLU 101 Cb -0.08 -0.30 -0.03 0.00 0.02 0.00 0.00 34.13 33.74 2yrz s GLU 101 CO 0.33 -0.05 -0.08 0.50 -1.84 0.00 0.00 175.26 174.12 2yrz s ARG 102 N -3.86 2.86 0.02 -4.83 6.06 0.07 -4.68 118.95 114.59 2yrz s ARG 102 Ca 0.18 -0.58 -0.19 0.00 -2.50 0.00 0.00 55.73 52.64 2yrz s ARG 102 Cb 0.05 -2.59 -0.06 0.00 0.06 0.00 0.00 34.95 32.41 2yrz s ARG 102 CO -0.00 0.58 0.56 -2.00 -2.50 0.00 0.00 175.30 171.94 2yrz s GLU 103 N -0.58 4.24 -0.36 5.12 2.12 -1.26 -2.05 118.70 125.92 2yrz s GLU 103 Ca 0.09 0.69 0.05 0.00 0.36 0.00 0.00 54.97 56.16 2yrz s GLU 103 Cb -0.12 -3.30 0.17 0.00 0.26 0.00 0.00 34.13 31.15 2yrz s GLU 103 CO 0.02 0.49 0.51 0.20 -0.54 0.00 0.00 175.26 175.94 2yrz s GLY 104 N -0.59 -0.79 0.46 -1.50 0.00 0.58 -4.82 107.32 100.66 2yrz s GLY 104 Ca 0.29 -0.02 -0.18 0.00 0.00 0.00 0.00 44.72 44.81 2yrz s GLY 104 CO 0.17 3.29 0.95 0.14 0.00 0.00 0.00 173.10 177.66 2yrz s VAL 105 N 1.98 4.48 0.01 1.40 1.01 -1.26 -1.53 120.40 126.49 2yrz s VAL 105 Ca 0.14 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 2yrz s VAL 105 Cb -0.09 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2yrz s VAL 105 CO -0.13 -0.49 -0.00 -0.51 0.00 0.00 0.00 175.10 173.97 2yrz s ILE 106 N -2.38 0.08 -0.26 2.22 1.10 -0.61 -4.92 121.20 116.43 2yrz s ILE 106 Ca 0.60 -0.70 0.03 0.00 -0.51 0.00 0.00 60.65 60.07 2yrz s ILE 106 Cb -0.10 -0.23 0.06 0.00 0.15 0.00 0.00 42.46 42.35 2yrz s ILE 106 CO 0.22 -0.38 -0.10 -0.89 -2.11 0.00 0.00 174.94 171.68 2yrz s THR 107 N -1.14 2.08 -0.17 4.00 2.01 -1.26 -1.41 115.64 119.74 2yrz s THR 107 Ca -0.13 -1.59 -0.33 0.00 0.31 0.00 0.00 61.69 59.95 2yrz s THR 107 Cb -0.08 -2.22 -0.10 0.00 0.01 0.00 0.00 72.50 70.12 2yrz s THR 107 CO -0.01 -0.05 2.04 -0.38 -0.69 0.00 0.00 174.62 175.53 2yrz n ILE 108 N 4.46 0.45 -3.86 1.82 2.08 -1.24 -4.93 119.36 118.14 2yrz n ILE 108 Ca -0.13 -0.23 -0.30 0.00 0.56 0.00 0.00 62.75 62.65 2yrz n ILE 108 Cb 0.42 -2.01 -0.15 0.00 -0.75 0.00 0.00 39.64 37.15 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 5.16 1.05 -0.21 0.38 2.02 -1.26 -3.32 118.70 122.52 2yrz s GLU 109 Ca 0.98 -1.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.28 2yrz s GLU 109 Cb -0.63 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 2yrz s GLU 109 CO 0.47 -0.97 0.85 0.45 0.02 0.00 0.00 175.26 176.07 2yrz s SER 110 N 1.28 6.91 -0.50 -0.19 0.15 -1.26 -4.96 113.70 115.13 2yrz s SER 110 Ca 0.10 1.12 0.04 0.00 0.70 0.00 0.00 55.95 57.92 2yrz s SER 110 Cb -0.18 -2.45 0.40 0.00 -1.71 0.00 0.00 66.02 62.08 2yrz s SER 110 CO -0.17 -0.48 1.17 1.67 1.20 0.00 0.00 173.24 176.62 2yrz n GLN 111 N 5.71 3.38 -0.93 5.44 7.27 -1.26 -4.85 117.38 132.14 2yrz n GLN 111 Ca 0.06 -4.48 -0.16 0.00 0.07 0.00 0.00 57.00 52.48 2yrz n GLN 111 Cb 0.48 -2.25 0.02 0.00 2.41 0.00 0.00 30.24 30.89 2yrz n GLN 111 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2yrz n VAL 112 N -0.45 2.77 -0.12 1.69 0.24 -1.26 -4.22 118.33 116.98 2yrz n VAL 112 Ca 0.39 -1.69 -0.23 0.00 -2.04 0.00 0.00 64.34 60.78 2yrz n VAL 112 Cb 0.58 -1.41 -0.08 0.00 -1.47 0.00 0.00 33.84 31.47 2yrz n VAL 112 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2yrz n SER 113 N 0.61 1.95 -3.64 -1.34 7.64 -1.26 -5.04 113.62 112.52 2yrz n SER 113 Ca 0.29 0.34 -0.10 0.00 1.01 0.00 0.00 58.87 60.42 2yrz n SER 113 Cb 0.58 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2yrz n SER 113 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yrz s GLY 114 N -5.28 -0.56 0.03 0.23 0.00 -1.26 -5.14 107.32 95.34 2yrz s GLY 114 Ca -0.35 2.14 -0.30 0.00 0.00 0.00 0.00 44.72 46.21 2yrz s GLY 114 CO 0.47 2.03 1.43 2.56 0.00 0.00 0.00 173.10 179.59 2yrz s PRO 115 N 1.06 4.28 -0.07 2.90 0.04 -1.26 -5.01 135.00 136.93 2yrz s PRO 115 Ca -0.06 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 2yrz s PRO 115 Cb -0.05 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.91 2yrz s PRO 115 CO -0.10 -0.58 0.30 -1.12 0.04 0.00 0.00 177.00 175.54 2yrz s SER 116 N 1.84 6.60 -0.16 6.66 0.01 -1.26 -5.08 113.70 122.30 2yrz s SER 116 Ca 0.65 0.71 0.02 0.00 1.31 0.00 0.00 55.95 58.64 2yrz s SER 116 Cb -0.33 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 63.74 2yrz s SER 116 CO 0.28 0.31 -0.21 -0.55 0.41 0.00 0.00 173.24 173.48 2yrz s SER 117 N -0.75 3.13 0.00 2.44 0.15 -1.26 -5.31 113.70 112.10 2yrz s SER 117 Ca 0.19 -0.63 0.26 0.00 0.70 0.00 0.00 55.95 56.48 2yrz s SER 117 Cb -0.14 -1.47 0.67 0.00 -1.71 0.00 0.00 66.02 63.37 2yrz s SER 117 CO 0.08 0.04 1.53 0.61 1.20 0.00 0.00 173.24 176.70