#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 6.72 0.20 1.61 1.04 -1.26 -4.97 113.70 117.04 2yrz s SER 2 Ca 0.00 1.93 -0.21 0.00 0.48 0.00 0.00 55.95 58.15 2yrz s SER 2 Cb 0.00 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.63 2yrz s SER 2 CO 0.00 -0.92 0.61 -0.94 0.98 0.00 0.00 173.24 172.96 2yrz s SER 3 N 2.99 -0.40 0.00 7.02 1.04 -1.26 -5.16 113.70 117.94 2yrz s SER 3 Ca 0.66 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2yrz s SER 3 Cb -0.28 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2yrz s SER 3 CO 0.24 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2yrz n GLY 4 N -0.39 0.36 3.77 7.32 0.00 -1.26 -5.10 105.19 109.90 2yrz n GLY 4 Ca -0.12 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.30 2yrz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrz s SER 5 N -4.00 4.22 -0.48 1.61 1.04 -1.26 -5.04 113.70 109.80 2yrz s SER 5 Ca 0.00 -1.49 -0.29 0.00 0.48 0.00 0.00 55.95 54.65 2yrz s SER 5 Cb 0.00 0.30 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 2yrz s SER 5 CO 0.00 -0.82 2.38 -0.24 0.98 0.00 0.00 173.24 175.53 2yrz n SER 6 N -1.32 2.20 -4.72 7.02 2.88 -1.26 -4.90 113.62 113.52 2yrz n SER 6 Ca -0.12 -0.12 -0.36 0.00 -1.33 0.00 0.00 58.87 56.94 2yrz n SER 6 Cb 0.66 -1.43 0.09 0.00 -0.75 0.00 0.00 64.21 62.78 2yrz n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrz n GLY 7 N 6.13 0.36 3.58 0.46 0.00 -1.26 -4.84 105.19 109.62 2yrz n GLY 7 Ca 0.40 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2yrz n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrz s SER 8 N -1.62 5.70 0.03 1.61 0.01 -1.26 -4.80 113.70 113.38 2yrz s SER 8 Ca 0.80 -1.83 -0.27 0.00 1.31 0.00 0.00 55.95 55.95 2yrz s SER 8 Cb -0.35 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.39 2yrz s SER 8 CO 0.44 -2.35 1.22 -1.38 0.41 0.00 0.00 173.24 171.57 2yrz s HIS 9 N 8.44 0.02 -0.33 2.43 0.00 -1.26 -5.13 115.29 119.45 2yrz s HIS 9 Ca 0.63 -0.20 -0.01 0.00 -3.00 0.00 0.00 55.06 52.48 2yrz s HIS 9 Cb 0.00 0.59 0.07 0.00 -4.00 0.00 0.00 32.58 29.24 2yrz s HIS 9 CO 0.09 -0.43 0.04 -0.51 -1.00 0.00 0.00 174.74 172.94 2yrz s ASP 10 N -3.51 4.93 0.21 7.38 1.01 -1.26 -4.99 116.67 120.44 2yrz s ASP 10 Ca 0.24 -1.55 -0.12 0.00 0.71 0.00 0.00 52.55 51.83 2yrz s ASP 10 Cb 0.00 -1.72 0.26 0.00 1.01 0.00 0.00 42.92 42.47 2yrz s ASP 10 CO -0.00 -0.33 1.64 0.28 0.21 0.00 0.00 175.17 176.97 2yrz h SER 11 N 7.95 -0.45 -4.54 0.27 0.02 -2.00 -3.43 113.55 111.37 2yrz h SER 11 Ca -0.17 0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2yrz h SER 11 Cb 1.05 0.33 -0.21 0.00 0.14 0.00 0.00 62.40 63.71 2yrz h SER 11 CO 0.56 -0.17 -0.20 0.00 -1.14 0.00 0.00 176.83 175.88 2yrz s ARG 12 N -6.20 0.64 -0.30 3.45 3.03 -1.26 -5.12 118.95 113.20 2yrz s ARG 12 Ca -0.14 0.17 -0.29 0.00 2.03 0.00 0.00 55.73 57.51 2yrz s ARG 12 Cb 0.19 0.30 -0.01 0.00 -1.03 0.00 0.00 34.95 34.39 2yrz s ARG 12 CO 0.73 -0.15 1.56 -0.51 -1.13 0.00 0.00 175.30 175.80 2yrz s LEU 13 N -0.69 3.74 -0.11 -1.89 1.02 -1.26 -4.98 118.68 114.50 2yrz s LEU 13 Ca -0.08 1.30 -0.23 0.00 0.02 0.00 0.00 54.13 55.15 2yrz s LEU 13 Cb -0.04 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 42.61 2yrz s LEU 13 CO 0.03 -1.37 0.71 0.42 0.02 0.00 0.00 176.35 176.16 2yrz s THR 14 N 5.49 5.01 0.13 5.49 -4.23 -1.26 -4.91 115.64 121.35 2yrz s THR 14 Ca 0.69 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 62.62 2yrz s THR 14 Cb -0.20 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.60 2yrz s THR 14 CO 0.30 0.18 0.00 0.00 -0.54 0.00 0.00 174.62 174.56 2yrz n ALA 15 N 4.32 3.00 -0.80 3.99 0.00 -1.26 -4.82 120.51 124.94 2yrz n ALA 15 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 2yrz n ALA 15 Cb 0.50 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 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 2.79 3.20 3.73 0.00 0.00 -1.26 -4.81 105.19 108.83 2yrz n GLY 16 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.61 4.36 -0.06 1.61 -7.23 -1.26 -4.11 120.40 113.09 2yrz s VAL 17 Ca 0.27 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.52 2yrz s VAL 17 Cb 0.16 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 2yrz s VAL 17 CO -0.02 0.30 1.50 -2.16 -0.31 0.00 0.00 175.10 174.40 2yrz s PRO 18 N -1.84 4.22 0.81 4.82 0.04 -1.26 -4.69 135.00 137.09 2yrz s PRO 18 Ca 0.23 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 63.15 2yrz s PRO 18 Cb -0.12 -3.82 0.08 0.00 0.04 0.00 0.00 34.50 30.68 2yrz s PRO 18 CO 0.14 -0.75 1.20 -3.47 0.04 0.00 0.00 177.00 174.17 2yrz n ASP 19 N 6.54 1.04 -4.54 6.66 2.03 -0.44 -3.83 116.55 124.02 2yrz n ASP 19 Ca 0.15 0.59 -0.54 0.00 0.52 0.00 0.00 54.79 55.51 2yrz n ASP 19 Cb 0.43 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.26 2yrz n ASP 19 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2yrz n THR 20 N -3.27 0.31 -2.22 5.18 -1.04 -1.26 -4.60 114.28 107.37 2yrz n THR 20 Ca 0.14 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 2yrz n THR 20 Cb 0.50 -0.42 -0.03 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.02 4.38 1.11 -2.82 0.04 -1.26 -4.90 135.00 131.58 2yrz s PRO 21 Ca 0.84 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.73 2yrz s PRO 21 Cb -1.06 -3.21 0.11 0.00 0.04 0.00 0.00 34.50 30.38 2yrz s PRO 21 CO 0.53 -0.27 -0.02 2.41 0.04 0.00 0.00 177.00 179.69 2yrz n THR 22 N 2.83 0.00 -1.19 1.26 -1.04 -1.26 -4.38 114.28 110.50 2yrz n THR 22 Ca 0.07 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.05 61.47 2yrz n THR 22 Cb 0.43 -0.56 0.04 0.00 -1.82 0.00 0.00 70.33 68.42 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 -1.89 0.11 -2.85 -2.82 1.85 -1.26 -4.55 116.66 105.25 2yrz n ARG 23 Ca 0.01 0.05 -0.20 0.00 -1.00 0.00 0.00 57.85 56.71 2yrz n ARG 23 Cb 0.59 -1.33 0.06 0.00 -1.05 0.00 0.00 32.46 30.73 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 3.60 3.20 -0.10 2.89 1.43 -1.26 -4.49 118.68 123.94 2yrz s LEU 24 Ca 0.56 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2yrz s LEU 24 Cb -0.36 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 43.80 2yrz s LEU 24 CO 0.67 -1.34 0.08 -0.69 0.23 0.00 0.00 176.35 175.29 2yrz s VAL 25 N -2.75 -0.11 -0.11 -1.59 1.01 -0.62 -4.91 120.40 111.32 2yrz s VAL 25 Ca 0.61 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 2yrz s VAL 25 Cb -0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2yrz s VAL 25 CO 0.39 -0.04 0.24 -0.36 0.00 0.00 0.00 175.10 175.34 2yrz s PHE 26 N 2.16 3.57 -0.21 5.22 0.40 -1.25 -1.43 117.98 126.43 2yrz s PHE 26 Ca 0.04 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.00 2yrz s PHE 26 Cb -0.14 -2.16 -0.20 0.00 0.51 0.00 0.00 43.02 41.03 2yrz s PHE 26 CO -0.06 0.52 -0.03 0.45 0.70 0.00 0.00 175.22 176.80 2yrz n SER 27 N 2.58 1.93 -3.13 1.36 2.88 -0.79 -4.92 113.62 113.54 2yrz n SER 27 Ca -0.16 -0.03 -0.15 0.00 -1.33 0.00 0.00 58.87 57.21 2yrz n SER 27 Cb 0.53 -0.48 0.07 0.00 -0.75 0.00 0.00 64.21 63.58 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 -3.16 -1.96 -0.10 -1.46 0.00 -1.26 -4.82 120.51 107.75 2yrz n ALA 28 Ca -0.41 0.01 0.26 0.00 0.00 0.00 0.00 53.44 53.29 2yrz n ALA 28 Cb 1.01 -3.25 0.57 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.44 0.00 0.00 0.00 -0.00 -1.84 -3.44 115.31 108.59 2yrz h LEU 29 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 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 -1.63 1.18 0.19 0.83 0.00 -1.13 -4.93 105.19 99.70 2yrz n GLY 30 Ca 0.17 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.91 -3.15 132.00 128.68 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 -0.11 0.25 -0.23 0.00 0.00 178.00 178.31 2yrz n THR 32 N -3.79 1.72 -4.02 1.56 -2.24 -1.26 -4.24 114.28 102.01 2yrz n THR 32 Ca -0.01 -2.13 -0.12 0.00 -2.27 0.00 0.00 64.05 59.52 2yrz n THR 32 Cb 0.46 -0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.73 0.48 0.22 3.42 1.04 -1.19 -2.02 113.70 112.92 2yrz s SER 33 Ca 0.30 -0.42 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 2yrz s SER 33 Cb 0.26 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2yrz s SER 33 CO 0.02 -0.19 0.53 -0.76 0.98 0.00 0.00 173.24 173.81 2yrz s LEU 34 N -1.21 0.14 -0.24 2.42 1.43 0.30 -2.82 118.68 118.69 2yrz s LEU 34 Ca -0.10 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 2yrz s LEU 34 Cb -0.08 2.08 0.12 0.00 0.03 0.00 0.00 46.19 48.34 2yrz s LEU 34 CO -0.00 -1.10 0.28 -0.60 0.23 0.00 0.00 176.35 175.16 2yrz s ARG 35 N -3.92 0.27 -0.12 1.70 3.52 -1.26 0.87 118.95 120.02 2yrz s ARG 35 Ca 0.13 0.16 -0.15 0.00 -0.13 0.00 0.00 55.73 55.74 2yrz s ARG 35 Cb -0.01 -0.85 -0.05 0.00 -1.56 0.00 0.00 34.95 32.48 2yrz s ARG 35 CO 0.01 -0.78 0.36 0.08 -0.81 0.00 0.00 175.30 174.16 2yrz s VAL 36 N 2.39 5.23 -0.08 7.11 1.01 0.35 -1.88 120.40 134.54 2yrz s VAL 36 Ca 0.09 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2yrz s VAL 36 Cb -0.15 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2yrz s VAL 36 CO -0.20 0.41 -0.06 -0.94 0.00 0.00 0.00 175.10 174.31 2yrz s SER 37 N 0.19 1.64 0.28 3.32 1.04 -0.52 -0.53 113.70 119.13 2yrz s SER 37 Ca 0.20 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2yrz s SER 37 Cb -0.14 -0.64 0.03 0.00 0.10 0.00 0.00 66.02 65.36 2yrz s SER 37 CO 0.07 -0.09 0.23 -2.67 0.98 0.00 0.00 173.24 171.76 2yrz n TRP 38 N 4.54 -1.26 -4.22 5.02 2.14 -0.27 -1.59 117.44 121.79 2yrz n TRP 38 Ca -0.16 -1.15 -0.33 0.00 2.07 0.00 0.00 57.50 57.92 2yrz n TRP 38 Cb 0.51 -0.23 -0.16 0.00 -0.81 0.00 0.00 31.31 30.61 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 3.03 -0.83 -2.67 0.74 -1.26 -4.82 119.66 110.70 2yrz s GLN 39 Ca 0.18 -0.82 -0.33 0.00 0.05 0.00 0.00 55.36 54.44 2yrz s GLN 39 Cb -0.01 -2.58 -0.20 0.00 1.10 0.00 0.00 33.01 31.32 2yrz s GLN 39 CO 0.11 -0.16 2.54 -1.91 -0.55 0.00 0.00 175.29 175.32 2yrz n GLU 40 N 4.51 0.14 -1.10 1.67 2.13 -1.26 -4.24 120.64 122.48 2yrz n GLU 40 Ca -0.21 0.01 -0.30 0.00 0.66 0.00 0.00 57.16 57.33 2yrz n GLU 40 Cb 0.50 -1.70 0.22 0.00 0.27 0.00 0.00 31.44 30.73 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 8.22 -0.84 0.30 5.31 0.04 -1.26 -5.02 135.00 141.76 2yrz s PRO 41 Ca 1.29 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 2yrz s PRO 41 Cb -1.20 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 2yrz s PRO 41 CO 0.50 -3.48 0.89 -0.98 0.04 0.00 0.00 177.00 173.97 2yrz s ARG 42 N -5.29 4.48 -0.30 4.56 1.70 -1.26 -4.88 118.95 117.95 2yrz s ARG 42 Ca 0.70 1.20 -0.12 0.00 -0.47 0.00 0.00 55.73 57.03 2yrz s ARG 42 Cb -0.12 -2.78 0.16 0.00 -0.57 0.00 0.00 34.95 31.64 2yrz s ARG 42 CO 0.56 0.29 0.85 0.00 -1.08 0.00 0.00 175.30 175.92 2yrz h GLU 44 N 7.74 0.00 -6.28 0.00 4.39 -1.84 -3.40 114.58 115.19 2yrz h GLU 44 Ca -0.17 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.92 2yrz h GLU 44 Cb 1.12 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.67 2yrz h GLU 44 CO 0.09 0.00 -0.62 1.03 -1.16 0.00 0.00 179.01 178.34 2yrz s ARG 45 N -4.95 2.63 0.07 2.33 1.81 -1.26 -5.09 118.95 114.49 2yrz s ARG 45 Ca -0.05 -0.93 -0.31 0.00 -1.72 0.00 0.00 55.73 52.72 2yrz s ARG 45 Cb 0.21 -2.52 -0.07 0.00 -0.45 0.00 0.00 34.95 32.11 2yrz s ARG 45 CO 0.74 0.49 1.39 -1.25 -0.68 0.00 0.00 175.30 176.00 2yrz s PRO 46 N -2.80 4.31 0.64 3.54 0.04 -1.26 -4.85 135.00 134.62 2yrz s PRO 46 Ca 0.28 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 2yrz s PRO 46 Cb -0.10 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.04 2yrz s PRO 46 CO 0.20 -0.49 1.19 -0.51 0.04 0.00 0.00 177.00 177.43 2yrz s LEU 47 N 1.64 3.53 -0.01 -3.56 1.43 -1.26 -4.29 118.68 116.16 2yrz s LEU 47 Ca 0.64 2.30 0.13 0.00 -1.03 0.00 0.00 54.13 56.17 2yrz s LEU 47 Cb -0.35 -4.59 -0.18 0.00 0.03 0.00 0.00 46.19 41.11 2yrz s LEU 47 CO 0.29 -1.76 0.39 0.00 0.23 0.00 0.00 176.35 175.49 2yrz n GLN 48 N -2.03 1.39 0.00 1.70 6.02 -1.04 -4.77 117.38 118.65 2yrz n GLN 48 Ca 0.13 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2yrz n GLN 48 Cb 0.50 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.54 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 1.57 -0.78 3.48 1.08 0.00 -1.26 -3.70 105.19 105.58 2yrz n GLY 49 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.21 -0.02 1.61 2.02 -1.13 -3.94 117.35 111.68 2yrz s TYR 50 Ca 0.00 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2yrz s TYR 50 Cb 0.00 0.41 0.02 0.00 -0.40 0.00 0.00 41.96 41.99 2yrz s TYR 50 CO 0.00 -0.88 0.05 0.45 -1.57 0.00 0.00 175.55 173.60 2yrz s SER 51 N -2.84 0.00 -0.35 2.29 0.15 -0.83 -0.10 113.70 112.02 2yrz s SER 51 Ca 0.07 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.82 2yrz s SER 51 Cb -0.01 0.02 0.11 0.00 -1.71 0.00 0.00 66.02 64.43 2yrz s SER 51 CO -0.06 -0.09 0.12 -0.69 1.20 0.00 0.00 173.24 173.72 2yrz s VAL 52 N 0.68 1.48 -0.27 4.45 1.01 0.74 -1.62 120.40 126.88 2yrz s VAL 52 Ca -0.06 -1.99 -0.13 0.00 0.00 0.00 0.00 61.98 59.80 2yrz s VAL 52 Cb -0.08 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2yrz s VAL 52 CO -0.02 -0.70 0.30 -1.61 0.00 0.00 0.00 175.10 173.07 2yrz s GLU 53 N 1.08 4.00 0.01 2.72 2.02 -0.50 -1.85 118.70 126.19 2yrz s GLU 53 Ca 0.12 -0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.06 2yrz s GLU 53 Cb -0.19 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.37 2yrz s GLU 53 CO -0.14 -0.22 -0.13 1.52 0.02 0.00 0.00 175.26 176.31 2yrz s TYR 54 N 1.89 1.15 0.14 1.61 -0.85 -0.66 -0.06 117.35 120.57 2yrz s TYR 54 Ca 0.12 -0.28 -0.11 0.00 -0.52 0.00 0.00 57.07 56.28 2yrz s TYR 54 Cb -0.16 -0.71 0.00 0.00 0.38 0.00 0.00 41.96 41.47 2yrz s TYR 54 CO 0.10 0.00 0.31 1.14 -1.52 0.00 0.00 175.55 175.58 2yrz s GLN 55 N -0.68 1.09 -0.21 -3.49 -2.07 -1.09 -0.70 119.66 112.50 2yrz s GLN 55 Ca 0.03 -1.00 -0.36 0.00 -1.82 0.00 0.00 55.36 52.20 2yrz s GLN 55 Cb -0.06 0.40 -0.13 0.00 -1.09 0.00 0.00 33.01 32.13 2yrz s GLN 55 CO 0.00 -0.40 1.91 1.28 -1.32 0.00 0.00 175.29 176.76 2yrz n LEU 56 N -0.19 2.85 -0.30 2.60 4.77 -1.24 0.06 117.00 125.55 2yrz n LEU 56 Ca -0.11 0.88 0.12 0.00 -0.03 0.00 0.00 56.01 56.88 2yrz n LEU 56 Cb 0.63 -1.28 0.29 0.00 -2.33 0.00 0.00 43.42 40.73 2yrz n LEU 56 CO 0.22 -0.32 1.00 0.25 -1.33 0.00 0.00 177.39 177.21 2yrz h LEU 57 N 9.30 0.18 -0.23 2.23 7.12 -1.04 0.34 115.31 133.21 2yrz h LEU 57 Ca -0.44 0.17 -0.04 0.00 0.13 0.00 0.00 57.88 57.70 2yrz h LEU 57 Cb 1.30 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.61 2yrz h LEU 57 CO 0.97 -0.06 -0.03 -0.55 -0.13 0.00 0.00 178.44 178.64 2yrz h ASN 58 N 0.31 0.43 0.00 1.25 7.08 -1.88 -3.47 115.58 119.30 2yrz h ASN 58 Ca 0.54 -0.34 0.00 0.00 -3.08 0.00 0.00 56.30 53.42 2yrz h ASN 58 Cb 1.05 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 37.17 2yrz h ASN 58 CO -0.57 0.66 0.00 0.61 -2.08 0.00 0.00 177.43 176.05 2yrz n GLY 59 N -0.23 1.40 0.88 9.14 0.00 0.11 -5.20 105.19 111.29 2yrz n GLY 59 Ca -0.04 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 1.81 3.19 -0.02 0.00 -1.24 -4.91 105.19 104.03 2yrz n GLY 60 Ca 0.00 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 2yrz n GLY 60 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yrz n GLU 61 N -0.13 -0.09 -4.10 1.61 0.28 -1.26 -4.35 120.64 112.60 2yrz n GLU 61 Ca -0.02 -0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.65 2yrz n GLU 61 Cb 0.14 -1.37 -0.16 0.00 1.43 0.00 0.00 31.44 31.48 2yrz n GLU 61 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2yrz s LEU 62 N 4.00 2.05 -0.26 -1.84 1.98 -1.26 -3.70 118.68 119.64 2yrz s LEU 62 Ca 0.48 -0.62 -0.15 0.00 -2.89 0.00 0.00 54.13 50.95 2yrz s LEU 62 Cb -0.21 -1.42 -0.04 0.00 0.66 0.00 0.00 46.19 45.18 2yrz s LEU 62 CO 0.75 -0.01 0.38 -1.00 -1.89 0.00 0.00 176.35 174.58 2yrz s HIS 63 N 1.33 3.26 -0.24 5.38 3.76 0.12 -4.96 115.29 123.93 2yrz s HIS 63 Ca 0.05 0.44 -0.10 0.00 -0.15 0.00 0.00 55.06 55.30 2yrz s HIS 63 Cb -0.13 -2.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 2yrz s HIS 63 CO -0.13 -0.21 0.14 0.50 -0.85 0.00 0.00 174.74 174.19 2yrz s ARG 64 N 2.03 3.97 -0.22 1.40 3.52 -1.26 -1.66 118.95 126.73 2yrz s ARG 64 Ca 0.16 -0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 55.41 2yrz s ARG 64 Cb -0.16 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2yrz s ARG 64 CO 0.10 -0.01 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.98 2yrz s LEU 65 N 1.22 2.75 -0.00 -0.88 1.43 -0.77 -4.98 118.68 117.44 2yrz s LEU 65 Ca 0.07 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2yrz s LEU 65 Cb -0.14 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2yrz s LEU 65 CO 0.05 -0.04 0.17 0.20 0.23 0.00 0.00 176.35 176.96 2yrz s ASN 66 N 1.40 6.24 -0.30 2.29 -0.87 -1.26 -0.19 114.94 122.26 2yrz s ASN 66 Ca 0.04 0.30 -0.00 0.00 -1.57 0.00 0.00 52.86 51.64 2yrz s ASN 66 Cb -0.14 -1.93 0.06 0.00 -0.02 0.00 0.00 41.25 39.21 2yrz s ASN 66 CO -0.06 0.26 -0.02 -0.63 -2.57 0.00 0.00 177.10 174.08 2yrz s ILE 67 N -1.31 2.72 -2.00 0.60 -1.09 0.85 -4.96 121.20 116.01 2yrz s ILE 67 Ca 0.27 -1.56 0.11 0.00 -2.23 0.00 0.00 60.65 57.24 2yrz s ILE 67 Cb -0.13 -2.62 0.32 0.00 -1.58 0.00 0.00 42.46 38.46 2yrz s ILE 67 CO 0.18 -0.15 1.10 -0.81 -1.23 0.00 0.00 174.94 174.04 2yrz n PRO 68 N 4.54 0.49 -3.85 2.79 -0.04 -1.26 -2.82 135.00 134.85 2yrz n PRO 68 Ca -0.12 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 2yrz n PRO 68 Cb 0.43 -1.36 -0.17 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.86 2.27 0.09 3.54 2.47 -1.26 -4.92 114.94 115.27 2yrz s ASN 69 Ca 0.17 -0.39 0.17 0.00 0.42 0.00 0.00 52.86 53.23 2yrz s ASN 69 Cb 0.08 -0.73 0.74 0.00 -1.45 0.00 0.00 41.25 39.88 2yrz s ASN 69 CO 0.13 -0.17 1.54 -0.81 -3.72 0.00 0.00 177.10 174.07 2yrz n PRO 70 N 4.99 0.07 0.02 0.43 -0.04 -1.24 -2.37 135.00 136.85 2yrz n PRO 70 Ca -0.11 0.32 -0.03 0.00 -0.04 0.00 0.00 63.50 63.64 2yrz n PRO 70 Cb 0.49 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 2yrz n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yrz h ALA 71 N 2.41 0.69 -1.41 0.55 0.00 -1.92 -3.45 119.26 116.12 2yrz h ALA 71 Ca 0.00 -1.03 -0.51 0.00 0.00 0.00 0.00 54.91 53.37 2yrz h ALA 71 Cb 0.28 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2yrz h ALA 71 CO 0.00 1.13 1.23 -1.14 0.00 0.00 0.00 179.25 180.48 2yrz s GLN 72 N -2.81 2.84 -0.47 0.00 0.74 -1.00 -4.83 119.66 114.13 2yrz s GLN 72 Ca -0.03 0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.65 2yrz s GLN 72 Cb 0.08 -4.35 0.59 0.00 1.10 0.00 0.00 33.01 30.43 2yrz s GLN 72 CO 0.81 -2.54 1.91 0.25 -0.55 0.00 0.00 175.29 175.17 2yrz n THR 73 N 6.93 3.19 -3.65 -0.34 -2.24 -1.26 -4.85 114.28 112.06 2yrz n THR 73 Ca 0.15 -2.02 -0.05 0.00 -2.27 0.00 0.00 64.05 59.86 2yrz n THR 73 Cb 0.51 -0.63 -0.06 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 -1.27 -0.94 0.13 3.42 1.04 -1.26 -1.11 113.70 113.71 2yrz s SER 74 Ca 0.56 1.45 0.08 0.00 0.48 0.00 0.00 55.95 58.51 2yrz s SER 74 Cb 0.46 1.70 -0.04 0.00 0.10 0.00 0.00 66.02 68.24 2yrz s SER 74 CO 0.08 -0.23 -0.18 0.54 0.98 0.00 0.00 173.24 174.43 2yrz s VAL 75 N 2.20 1.64 -0.24 5.02 0.11 0.31 -4.97 120.40 124.47 2yrz s VAL 75 Ca -0.08 -1.69 -0.09 0.00 -2.93 0.00 0.00 61.98 57.20 2yrz s VAL 75 Cb -0.09 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2yrz s VAL 75 CO -0.18 -0.22 0.11 -0.69 -3.33 0.00 0.00 175.10 170.78 2yrz s VAL 76 N -1.64 4.78 -0.24 2.04 1.01 -1.26 -0.50 120.40 124.60 2yrz s VAL 76 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 2yrz s VAL 76 Cb -0.08 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2yrz s VAL 76 CO 0.05 0.35 0.07 -0.69 0.00 0.00 0.00 175.10 174.87 2yrz s VAL 77 N 1.29 4.40 0.35 2.92 1.01 0.25 -4.93 120.40 125.70 2yrz s VAL 77 Ca 0.06 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2yrz s VAL 77 Cb -0.15 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2yrz s VAL 77 CO 0.05 0.36 0.06 -0.62 0.00 0.00 0.00 175.10 174.95 2yrz n GLU 78 N 4.67 0.84 -3.15 2.72 1.02 -1.26 0.11 120.64 125.59 2yrz n GLU 78 Ca -0.16 -2.75 -0.15 0.00 -0.02 0.00 0.00 57.16 54.08 2yrz n GLU 78 Cb 0.52 1.13 0.06 0.00 -0.02 0.00 0.00 31.44 33.13 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 -3.66 -4.90 1.62 9.92 -0.86 -4.96 116.55 112.25 2yrz n ASP 79 Ca -0.10 -0.41 -0.24 0.00 -0.53 0.00 0.00 54.79 53.52 2yrz n ASP 79 Cb 0.48 -3.74 -0.01 0.00 -0.64 0.00 0.00 41.12 37.21 2yrz n ASP 79 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2yrz s LEU 80 N -5.29 3.00 -0.08 0.64 1.43 -1.24 -5.10 118.68 112.05 2yrz s LEU 80 Ca 0.22 -1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2yrz s LEU 80 Cb -0.10 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 2yrz s LEU 80 CO 0.52 -0.95 0.03 -0.76 0.23 0.00 0.00 176.35 175.42 2yrz s LEU 81 N -4.25 3.74 0.63 1.79 1.43 -1.26 -4.68 118.68 116.07 2yrz s LEU 81 Ca 0.42 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.55 2yrz s LEU 81 Cb -0.03 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2yrz s LEU 81 CO 0.26 0.37 1.12 -2.16 0.23 0.00 0.00 176.35 176.16 2yrz s PRO 82 N -1.03 2.96 -1.49 1.29 0.04 -1.26 -3.64 135.00 131.87 2yrz s PRO 82 Ca 0.15 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 2yrz s PRO 82 Cb -0.12 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2yrz s PRO 82 CO 0.04 -1.13 0.34 0.09 0.04 0.00 0.00 177.00 176.37 2yrz n ASN 83 N -2.10 -0.27 -3.78 6.66 5.03 -1.14 -4.95 115.26 114.71 2yrz n ASN 83 Ca 0.11 -1.09 -0.14 0.00 0.87 0.00 0.00 54.58 54.33 2yrz n ASN 83 Cb 0.52 -2.56 -0.15 0.00 -1.02 0.00 0.00 39.78 36.57 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 -4.00 -0.06 0.46 3.10 3.76 -1.24 -4.94 115.29 112.37 2yrz s HIS 84 Ca 0.10 0.27 -0.20 0.00 -0.15 0.00 0.00 55.06 55.07 2yrz s HIS 84 Cb -0.05 -0.12 -0.10 0.00 1.11 0.00 0.00 32.58 33.42 2yrz s HIS 84 CO 0.93 -0.11 0.99 -1.12 -0.85 0.00 0.00 174.74 174.59 2yrz s SER 85 N 0.87 6.63 -0.10 1.40 0.01 -1.26 -3.49 113.70 117.76 2yrz s SER 85 Ca -0.07 1.79 -0.05 0.00 1.31 0.00 0.00 55.95 58.94 2yrz s SER 85 Cb -0.10 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.63 2yrz s SER 85 CO -0.03 -0.58 0.23 -0.31 0.41 0.00 0.00 173.24 172.96 2yrz s TYR 86 N -2.12 -0.31 -0.58 2.43 2.02 -0.63 -0.44 117.35 117.71 2yrz s TYR 86 Ca 0.64 0.76 -0.23 0.00 -0.37 0.00 0.00 57.07 57.87 2yrz s TYR 86 Cb -0.12 0.01 0.05 0.00 -0.40 0.00 0.00 41.96 41.50 2yrz s TYR 86 CO 0.18 -0.24 0.91 0.54 -1.57 0.00 0.00 175.55 175.36 2yrz s VAL 87 N 1.43 4.43 -0.27 0.71 0.11 0.11 -0.86 120.40 126.06 2yrz s VAL 87 Ca -0.08 -0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 58.71 2yrz s VAL 87 Cb -0.11 -4.56 -0.02 0.00 -1.53 0.00 0.00 36.38 30.17 2yrz s VAL 87 CO -0.08 -1.20 0.63 -0.36 -3.33 0.00 0.00 175.10 170.76 2yrz s PHE 88 N 3.81 3.25 -0.29 1.54 0.40 -0.33 -2.68 117.98 123.68 2yrz s PHE 88 Ca 0.25 0.72 0.01 0.00 -0.60 0.00 0.00 56.93 57.31 2yrz s PHE 88 Cb -0.15 -2.90 0.06 0.00 0.51 0.00 0.00 43.02 40.55 2yrz s PHE 88 CO 0.15 -0.38 -0.04 1.03 0.70 0.00 0.00 175.22 176.68 2yrz s ARG 89 N 2.54 2.23 0.12 0.44 0.52 0.91 0.31 118.95 126.02 2yrz s ARG 89 Ca 0.26 -1.39 -0.02 0.00 -0.52 0.00 0.00 55.73 54.05 2yrz s ARG 89 Cb -0.15 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 2yrz s ARG 89 CO 0.10 -0.65 0.31 0.08 0.02 0.00 0.00 175.30 175.16 2yrz s VAL 90 N 1.14 5.26 0.19 3.52 1.01 -0.93 -1.41 120.40 129.19 2yrz s VAL 90 Ca -0.05 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 2yrz s VAL 90 Cb -0.20 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.59 2yrz s VAL 90 CO -0.04 0.05 0.60 0.00 0.00 0.00 0.00 175.10 175.71 2yrz s ARG 91 N -2.70 1.39 0.20 2.72 1.70 -0.64 -1.30 118.95 120.32 2yrz s ARG 91 Ca 0.38 -0.67 0.11 0.00 -0.47 0.00 0.00 55.73 55.08 2yrz s ARG 91 Cb -0.12 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2yrz s ARG 91 CO 0.27 -0.61 -0.20 0.00 -1.08 0.00 0.00 175.30 173.68 2yrz s ALA 92 N -3.81 2.66 0.08 7.88 0.00 -1.26 -1.96 121.76 125.35 2yrz s ALA 92 Ca 0.05 -1.62 0.10 0.00 0.00 0.00 0.00 51.96 50.49 2yrz s ALA 92 Cb -0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2yrz s ALA 92 CO -0.07 0.42 -0.26 -1.14 0.00 0.00 0.00 175.76 174.71 2yrz s GLN 93 N -2.79 1.64 0.31 0.00 0.74 -1.25 -2.90 119.66 115.41 2yrz s GLN 93 Ca 0.23 -1.21 0.02 0.00 0.05 0.00 0.00 55.36 54.45 2yrz s GLN 93 Cb -0.08 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 32.06 2yrz s GLN 93 CO 0.12 0.49 0.32 -1.54 -0.55 0.00 0.00 175.29 174.12 2yrz s SER 94 N -1.58 1.11 0.32 6.67 1.04 -0.91 -2.50 113.70 117.84 2yrz s SER 94 Ca 0.13 -1.58 0.08 0.00 0.48 0.00 0.00 55.95 55.06 2yrz s SER 94 Cb -0.10 0.56 0.91 0.00 0.10 0.00 0.00 66.02 67.49 2yrz s SER 94 CO 0.04 -1.10 1.63 -0.61 0.98 0.00 0.00 173.24 174.18 2yrz h GLN 95 N 2.22 0.18 0.55 4.02 4.15 -1.83 -0.73 115.11 123.66 2yrz h GLN 95 Ca -0.28 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 2yrz h GLN 95 Cb 1.24 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.89 2yrz h GLN 95 CO 0.40 0.12 -0.27 0.93 -1.93 0.00 0.00 178.83 178.08 2yrz h GLU 96 N 0.18 -0.72 0.00 1.69 4.39 -1.97 -3.50 114.58 114.66 2yrz h GLU 96 Ca 0.65 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.40 2yrz h GLU 96 Cb 1.44 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 2yrz h GLU 96 CO -0.70 -0.41 0.00 0.41 -1.16 0.00 0.00 179.01 177.15 2yrz n GLY 97 N -0.57 -0.76 3.63 -3.84 0.00 -0.28 -5.08 105.19 98.29 2yrz n GLY 97 Ca -0.11 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 3.23 0.00 1.61 0.52 -1.26 -2.15 118.94 117.89 2yrz s TRP 98 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 56.10 57.18 2yrz s TRP 98 Cb 0.00 -3.33 0.00 0.00 -1.15 0.00 0.00 33.47 28.99 2yrz s TRP 98 CO 0.00 -0.58 0.00 0.41 0.02 0.00 0.00 176.95 176.80 2yrz n GLY 99 N 3.91 0.23 1.92 0.98 0.00 -1.14 -5.01 105.19 106.07 2yrz n GLY 99 Ca 0.07 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2yrz n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yrz n ARG 100 N 0.00 -0.49 -3.70 1.61 1.74 -1.25 -4.93 116.66 109.64 2yrz n ARG 100 Ca 0.00 -1.08 -0.11 0.00 -0.77 0.00 0.00 57.85 55.89 2yrz n ARG 100 Cb 0.00 -0.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.71 2yrz n ARG 100 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2yrz s GLU 101 N -4.32 0.39 0.06 5.56 1.03 -1.26 -4.29 118.70 115.86 2yrz s GLU 101 Ca 0.37 0.75 -0.27 0.00 0.03 0.00 0.00 54.97 55.85 2yrz s GLU 101 Cb -0.01 -0.01 -0.05 0.00 -0.80 0.00 0.00 34.13 33.26 2yrz s GLU 101 CO 0.25 -0.15 0.84 0.50 -1.33 0.00 0.00 175.26 175.38 2yrz s ARG 102 N 1.28 4.56 0.10 -4.83 6.06 -0.42 -4.83 118.95 120.87 2yrz s ARG 102 Ca -0.09 1.21 -0.20 0.00 -2.50 0.00 0.00 55.73 54.15 2yrz s ARG 102 Cb -0.08 -3.38 -0.07 0.00 0.06 0.00 0.00 34.95 31.48 2yrz s ARG 102 CO -0.11 0.22 0.60 -2.00 -2.50 0.00 0.00 175.30 171.52 2yrz s GLU 103 N 0.09 4.23 -0.36 5.12 2.12 -1.26 -2.18 118.70 126.46 2yrz s GLU 103 Ca 0.42 0.78 0.04 0.00 0.36 0.00 0.00 54.97 56.57 2yrz s GLU 103 Cb -0.21 -3.19 0.17 0.00 0.26 0.00 0.00 34.13 31.15 2yrz s GLU 103 CO 0.25 0.60 0.47 0.20 -0.54 0.00 0.00 175.26 176.24 2yrz s GLY 104 N -1.21 -0.57 0.30 -1.50 0.00 0.15 -4.89 107.32 99.59 2yrz s GLY 104 Ca 0.32 -0.23 -0.28 0.00 0.00 0.00 0.00 44.72 44.52 2yrz s GLY 104 CO 0.20 3.12 1.04 0.54 0.00 0.00 0.00 173.10 178.01 2yrz s VAL 105 N 1.91 3.71 0.08 1.40 0.11 -1.26 -1.19 120.40 125.17 2yrz s VAL 105 Ca 0.14 1.62 0.07 0.00 -2.93 0.00 0.00 61.98 60.88 2yrz s VAL 105 Cb -0.11 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 2yrz s VAL 105 CO -0.13 0.31 -0.18 -0.51 -3.33 0.00 0.00 175.10 171.26 2yrz s ILE 106 N -1.29 1.48 -0.25 7.04 1.10 -0.04 -4.93 121.20 124.31 2yrz s ILE 106 Ca 0.47 -1.40 0.03 0.00 -0.51 0.00 0.00 60.65 59.23 2yrz s ILE 106 Cb -0.28 -1.36 0.06 0.00 0.15 0.00 0.00 42.46 41.03 2yrz s ILE 106 CO 0.35 -0.09 -0.11 -0.89 -2.11 0.00 0.00 174.94 172.09 2yrz s THR 107 N -1.15 2.12 -0.20 4.00 2.01 -1.26 -1.61 115.64 119.56 2yrz s THR 107 Ca 0.03 -1.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.18 2yrz s THR 107 Cb -0.10 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2yrz s THR 107 CO 0.03 0.01 1.91 -0.63 -0.69 0.00 0.00 174.62 175.25 2yrz s ILE 108 N 1.13 3.31 -0.27 1.82 -1.09 -1.23 -4.96 121.20 119.90 2yrz s ILE 108 Ca -0.08 0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 58.68 2yrz s ILE 108 Cb -0.19 -3.34 0.05 0.00 -1.58 0.00 0.00 42.46 37.39 2yrz s ILE 108 CO -0.06 -0.17 -0.05 -1.61 -1.23 0.00 0.00 174.94 171.82 2yrz s GLU 109 N 5.38 2.47 -0.37 2.79 2.02 -1.26 -2.87 118.70 126.86 2yrz s GLU 109 Ca 0.86 -1.22 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 2yrz s GLU 109 Cb -0.30 -3.03 0.09 0.00 0.10 0.00 0.00 34.13 30.99 2yrz s GLU 109 CO 0.34 -0.55 0.13 0.45 0.02 0.00 0.00 175.26 175.65 2yrz s SER 110 N 1.22 5.08 -0.29 -0.19 0.15 -1.26 -4.92 113.70 113.49 2yrz s SER 110 Ca -0.05 -1.86 0.11 0.00 0.70 0.00 0.00 55.95 54.85 2yrz s SER 110 Cb -0.19 -1.77 0.47 0.00 -1.71 0.00 0.00 66.02 62.82 2yrz s SER 110 CO -0.03 -0.45 1.16 0.00 1.20 0.00 0.00 173.24 175.12 2yrz n GLN 111 N 4.54 3.09 -0.32 5.44 10.64 -1.26 -4.91 117.38 134.60 2yrz n GLN 111 Ca -0.04 -4.01 -0.04 0.00 -1.83 0.00 0.00 57.00 51.08 2yrz n GLN 111 Cb 0.42 -2.09 -0.02 0.00 -0.86 0.00 0.00 30.24 27.69 2yrz n GLN 111 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2yrz n VAL 112 N -0.65 -0.47 -2.60 -0.39 0.31 -1.26 -4.40 118.33 108.87 2yrz n VAL 112 Ca 0.34 1.87 -0.26 0.00 -0.01 0.00 0.00 64.34 66.28 2yrz n VAL 112 Cb 0.90 -2.40 0.02 0.00 -0.91 0.00 0.00 33.84 31.46 2yrz n VAL 112 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2yrz s SER 113 N -5.33 5.73 0.01 4.52 0.15 -1.26 -5.11 113.70 112.41 2yrz s SER 113 Ca -0.10 0.61 0.01 0.00 0.70 0.00 0.00 55.95 57.16 2yrz s SER 113 Cb 0.13 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 2yrz s SER 113 CO 0.53 -0.90 -0.04 -0.83 1.20 0.00 0.00 173.24 173.20 2yrz s GLY 114 N -4.26 0.23 0.00 9.45 0.00 -1.26 -5.02 107.32 106.47 2yrz s GLY 114 Ca 0.52 -0.38 0.15 0.00 0.00 0.00 0.00 44.72 45.00 2yrz s GLY 114 CO 0.43 -0.41 1.39 -1.55 0.00 0.00 0.00 173.10 172.97 2yrz n PRO 115 N 2.27 0.27 -0.10 2.90 -0.04 -1.26 -0.19 135.00 138.85 2yrz n PRO 115 Ca -0.18 0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.21 2yrz n PRO 115 Cb 0.57 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.22 1.88 0.09 3.54 2.88 -1.26 -4.59 113.62 114.93 2yrz n SER 116 Ca 0.08 0.44 -0.20 0.00 -1.33 0.00 0.00 58.87 57.86 2yrz n SER 116 Cb 0.10 -0.88 -0.15 0.00 -0.75 0.00 0.00 64.21 62.54 2yrz n SER 116 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2yrz h SER 117 N -1.00 0.56 0.00 -3.46 4.64 -1.98 -3.56 113.55 108.75 2yrz h SER 117 Ca -0.31 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.30 2yrz h SER 117 Cb 1.15 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2yrz h SER 117 CO -0.19 1.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.97