#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s h SER 2 N 0.00 0.00 -3.79 1.61 4.64 -2.15 -3.41 113.55 110.45 2e5s h SER 2 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2e5s h SER 2 Cb 0.00 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.28 2e5s h SER 2 CO 0.00 0.00 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.39 2e5s n SER 3 N -3.53 -0.16 0.00 4.97 3.41 -1.26 -5.01 113.62 112.04 2e5s n SER 3 Ca 0.15 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2e5s n SER 3 Cb 1.03 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2e5s n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5s n GLY 4 N 1.01 -1.39 3.83 5.00 0.00 -1.26 -5.18 105.19 107.18 2e5s n GLY 4 Ca 0.11 0.95 -0.08 0.00 0.00 0.00 0.00 46.02 47.01 2e5s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5s s SER 5 N 0.00 -0.09 0.31 1.61 0.01 -1.26 -5.19 113.70 109.09 2e5s s SER 5 Ca 0.00 -0.92 -0.19 0.00 1.31 0.00 0.00 55.95 56.15 2e5s s SER 5 Cb 0.00 0.78 0.04 0.00 0.21 0.00 0.00 66.02 67.05 2e5s s SER 5 CO 0.00 -1.51 0.78 -0.94 0.41 0.00 0.00 173.24 171.98 2e5s s SER 6 N -3.03 -0.13 0.17 2.44 1.04 -1.26 -5.19 113.70 107.73 2e5s s SER 6 Ca 0.14 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.66 2e5s s SER 6 Cb -0.05 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 2e5s s SER 6 CO 0.09 -1.45 0.26 -0.83 0.98 0.00 0.00 173.24 172.29 2e5s s GLY 7 N -3.01 0.60 -0.21 7.32 0.00 -1.26 -5.15 107.32 105.61 2e5s s GLY 7 Ca 0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 2e5s s GLY 7 CO 0.08 -0.92 -0.02 -0.45 0.00 0.00 0.00 173.10 171.79 2e5s s SER 8 N -2.99 3.42 -0.12 1.64 0.15 -1.26 -5.11 113.70 109.44 2e5s s SER 8 Ca 0.19 -1.00 0.01 0.00 0.70 0.00 0.00 55.95 55.86 2e5s s SER 8 Cb 0.04 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.41 2e5s s SER 8 CO 0.01 -0.25 -0.15 0.42 1.20 0.00 0.00 173.24 174.47 2e5s s THR 9 N 1.57 1.53 -0.03 6.45 -4.23 -1.26 -5.04 115.64 114.63 2e5s s THR 9 Ca -0.03 -0.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.63 2e5s s THR 9 Cb -0.18 -1.41 -0.14 0.00 1.34 0.00 0.00 72.50 72.12 2e5s s THR 9 CO -0.07 0.45 0.90 0.00 -0.54 0.00 0.00 174.62 175.36 2e5s h ALA 10 N 7.60 -0.41 -6.92 3.99 0.00 -2.06 -3.46 119.26 118.00 2e5s h ALA 10 Ca -0.33 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 2e5s h ALA 10 Cb 1.16 0.16 -0.25 0.00 0.00 0.00 0.00 17.79 18.86 2e5s h ALA 10 CO 0.50 -0.46 -0.88 2.41 0.00 0.00 0.00 179.25 180.82 2e5s n THR 11 N -5.07 -0.61 -3.07 0.00 -1.04 -1.26 -4.83 114.28 98.40 2e5s n THR 11 Ca -0.08 -0.30 -0.45 0.00 -2.04 0.00 0.00 64.05 61.18 2e5s n THR 11 Cb 0.26 -0.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 2e5s n THR 11 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2e5s s GLN 12 N -6.96 3.39 0.42 -2.82 -0.44 -1.26 -5.01 119.66 106.98 2e5s s GLN 12 Ca 0.27 -1.71 0.03 0.00 -2.50 0.00 0.00 55.36 51.45 2e5s s GLN 12 Cb -0.16 -4.55 -0.04 0.00 -1.64 0.00 0.00 33.01 26.63 2e5s s GLN 12 CO 0.93 -1.59 0.06 0.15 0.50 0.00 0.00 175.29 175.34 2e5s s LYS 13 N 2.21 1.95 0.30 1.67 1.02 -1.26 -5.17 119.74 120.45 2e5s s LYS 13 Ca 0.22 -2.17 0.09 0.00 0.02 0.00 0.00 55.97 54.12 2e5s s LYS 13 Cb -0.13 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 2e5s s LYS 13 CO -0.03 -0.32 0.07 -0.48 -0.92 0.00 0.00 175.35 173.66 2e5s s LEU 14 N -3.67 3.25 0.24 3.17 2.34 -1.26 -5.07 118.68 117.68 2e5s s LEU 14 Ca 0.23 -0.68 -0.25 0.00 0.06 0.00 0.00 54.13 53.49 2e5s s LEU 14 Cb 0.05 -1.75 -0.16 0.00 -0.56 0.00 0.00 46.19 43.77 2e5s s LEU 14 CO 0.12 -0.12 0.39 0.00 -1.06 0.00 0.00 176.35 175.67 2e5s n LEU 15 N -1.01 -1.58 -3.80 1.48 -0.00 -1.26 -4.98 117.00 105.85 2e5s n LEU 15 Ca -0.05 1.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.82 2e5s n LEU 15 Cb 0.60 -0.88 -0.14 0.00 -0.00 0.00 0.00 43.42 43.00 2e5s n LEU 15 CO 0.42 -3.13 -0.26 -0.60 -0.00 0.00 0.00 177.39 173.82 2e5s s ARG 16 N -0.95 0.09 -0.07 1.47 6.06 -1.26 -5.03 118.95 119.26 2e5s s ARG 16 Ca 0.60 0.21 0.19 0.00 -2.50 0.00 0.00 55.73 54.23 2e5s s ARG 16 Cb -0.81 -0.05 -0.28 0.00 0.06 0.00 0.00 34.95 33.86 2e5s s ARG 16 CO 0.55 -0.08 0.33 -2.37 -2.50 0.00 0.00 175.30 171.23 2e5s n THR 17 N 3.52 0.34 -0.99 4.11 5.66 -1.26 -4.46 114.28 121.21 2e5s n THR 17 Ca -0.18 -0.54 -0.16 0.00 -3.05 0.00 0.00 64.05 60.12 2e5s n THR 17 Cb 0.56 -0.10 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 2e5s n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2e5s n ASP 18 N -2.32 6.12 -4.02 1.09 5.75 -1.26 -4.84 116.55 117.08 2e5s n ASP 18 Ca -0.11 -2.91 -0.20 0.00 -0.01 0.00 0.00 54.79 51.56 2e5s n ASP 18 Cb 0.67 -1.16 -0.15 0.00 -1.03 0.00 0.00 41.12 39.45 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2e5s s LYS 19 N -1.12 0.94 -0.11 0.11 -2.85 -1.26 0.85 119.74 116.31 2e5s s LYS 19 Ca 0.37 -0.33 0.01 0.00 -1.00 0.00 0.00 55.97 55.03 2e5s s LYS 19 Cb 0.25 -0.88 0.02 0.00 -2.06 0.00 0.00 37.83 35.15 2e5s s LYS 19 CO -0.06 0.15 -0.14 -0.51 0.10 0.00 0.00 175.35 174.89 2e5s s LEU 20 N 0.06 1.66 0.13 2.77 1.43 -0.25 -4.92 118.68 119.55 2e5s s LEU 20 Ca -0.01 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 2e5s s LEU 20 Cb -0.07 -1.04 -0.10 0.00 0.03 0.00 0.00 46.19 45.01 2e5s s LEU 20 CO 0.00 0.00 1.76 -1.61 0.23 0.00 0.00 176.35 176.73 2e5s s GLU 21 N 1.05 4.15 0.05 1.70 8.01 -1.26 -0.98 118.70 131.42 2e5s s GLU 21 Ca -0.06 2.53 -0.28 0.00 0.01 0.00 0.00 54.97 57.17 2e5s s GLU 21 Cb -0.15 -3.49 -0.05 0.00 -4.31 0.00 0.00 34.13 26.14 2e5s s GLU 21 CO -0.02 -0.79 0.88 0.08 0.01 0.00 0.00 175.26 175.42 2e5s s VAL 22 N 2.37 4.71 -0.30 2.63 1.01 -0.26 -2.27 120.40 128.29 2e5s s VAL 22 Ca 0.78 1.88 -0.29 0.00 0.00 0.00 0.00 61.98 64.35 2e5s s VAL 22 Cb -0.45 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.69 2e5s s VAL 22 CO 0.35 0.29 1.49 0.00 0.00 0.00 0.00 175.10 177.22 2e5s h ARG 24 N 10.50 0.57 0.36 0.00 3.08 -1.96 -3.10 114.38 123.83 2e5s h ARG 24 Ca -0.30 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 2e5s h ARG 24 Cb 1.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2e5s h ARG 24 CO 1.04 0.64 -0.17 0.93 -1.07 0.00 0.00 179.97 181.33 2e5s h GLU 25 N 0.53 -0.47 -0.85 0.04 4.39 -1.95 -3.13 114.58 113.15 2e5s h GLU 25 Ca 0.10 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.97 2e5s h GLU 25 Cb 0.44 0.11 -0.14 0.00 -0.10 0.00 0.00 28.75 29.06 2e5s h GLU 25 CO 0.02 -0.24 -0.38 0.35 -1.16 0.00 0.00 179.01 177.60 2e5s h PHE 26 N -0.61 -1.05 -0.94 4.33 3.57 -1.89 1.00 116.94 121.35 2e5s h PHE 26 Ca -0.05 0.09 0.16 0.00 3.53 0.00 0.00 57.97 61.70 2e5s h PHE 26 Cb 0.44 0.59 -0.16 0.00 2.79 0.00 0.00 35.95 39.61 2e5s h PHE 26 CO -0.02 -0.40 -0.34 1.96 -2.23 0.00 0.00 178.31 177.28 2e5s h GLN 27 N -0.06 -0.02 -0.00 1.11 4.20 -1.54 1.23 115.11 120.02 2e5s h GLN 27 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2e5s h GLN 27 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2e5s h GLN 27 CO -0.88 -0.01 -0.26 2.89 -0.67 0.00 0.00 178.83 179.90 2e5s n ARG 28 N -5.51 0.27 -2.03 1.46 1.85 0.33 -4.95 116.66 108.08 2e5s n ARG 28 Ca 0.11 -0.12 -0.01 0.00 -1.00 0.00 0.00 57.85 56.83 2e5s n ARG 28 Cb 0.42 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.34 2e5s n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2e5s n GLY 29 N 1.43 0.44 0.00 2.89 0.00 0.42 -4.99 105.19 105.38 2e5s n GLY 29 Ca 0.09 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.71 2e5s n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e5s n ASN 30 N -1.20 3.04 -4.76 1.61 4.13 -0.20 -4.93 115.26 112.94 2e5s n ASN 30 Ca -0.02 -0.18 -0.37 0.00 1.68 0.00 0.00 54.58 55.70 2e5s n ASN 30 Cb 0.51 1.08 0.02 0.00 -1.54 0.00 0.00 39.78 39.85 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2e5s n ALA 32 N -1.14 2.08 0.47 0.00 0.00 -1.26 -4.58 120.51 116.08 2e5s n ALA 32 Ca 0.11 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.61 2e5s n ALA 32 Cb 0.48 -0.06 0.44 0.00 0.00 0.00 0.00 19.45 20.32 2e5s n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s h ARG 33 N 0.00 0.00 -2.03 0.00 3.08 -1.92 -3.49 114.38 110.02 2e5s h ARG 33 Ca -0.01 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.29 2e5s h ARG 33 Cb 0.22 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 2e5s h ARG 33 CO 0.00 0.00 -0.33 0.41 -1.07 0.00 0.00 179.97 178.98 2e5s n GLY 34 N 0.67 -1.18 0.57 0.04 0.00 -1.26 -0.29 105.19 103.74 2e5s n GLY 34 Ca 0.04 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.36 2e5s n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2e5s n GLU 35 N -2.85 1.32 -0.00 1.61 2.13 -1.26 -0.49 120.64 121.10 2e5s n GLU 35 Ca 0.01 -0.27 -0.00 0.00 0.66 0.00 0.00 57.16 57.55 2e5s n GLU 35 Cb 0.60 -1.51 -0.01 0.00 0.27 0.00 0.00 31.44 30.79 2e5s n GLU 35 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2e5s n THR 36 N 0.02 0.04 -0.01 6.31 -2.24 -1.23 -4.76 114.28 112.40 2e5s n THR 36 Ca 0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2e5s n THR 36 Cb 0.30 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2e5s n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2e5s n ASP 37 N -1.85 0.02 -4.80 3.42 2.03 0.61 -5.04 116.55 110.94 2e5s n ASP 37 Ca -0.01 -0.41 -0.38 0.00 0.52 0.00 0.00 54.79 54.51 2e5s n ASP 37 Cb 0.35 0.75 -0.06 0.00 -0.72 0.00 0.00 41.12 41.44 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s h ARG 39 N 5.20 0.00 -6.76 0.00 -0.00 -1.93 -3.45 114.38 107.45 2e5s h ARG 39 Ca -0.48 0.00 -0.52 0.00 -0.00 0.00 0.00 59.98 58.98 2e5s h ARG 39 Cb 1.21 0.00 0.04 0.00 -0.00 0.00 0.00 29.97 31.22 2e5s h ARG 39 CO 0.66 0.57 0.64 -0.06 -0.00 0.00 0.00 179.97 181.77 2e5s s PHE 40 N -3.54 3.21 -0.86 4.08 0.08 -1.26 -4.89 117.98 114.79 2e5s s PHE 40 Ca -0.01 1.32 -0.24 0.00 0.12 0.00 0.00 56.93 58.12 2e5s s PHE 40 Cb 0.12 -3.61 0.05 0.00 -0.57 0.00 0.00 43.02 39.01 2e5s s PHE 40 CO 0.74 -1.79 1.30 0.00 -0.10 0.00 0.00 175.22 175.38 2e5s s ALA 41 N -0.44 2.84 -0.25 5.36 0.00 -0.96 -4.75 121.76 123.55 2e5s s ALA 41 Ca 0.53 -1.92 -0.28 0.00 0.00 0.00 0.00 51.96 50.29 2e5s s ALA 41 Cb -0.37 -4.30 -0.04 0.00 0.00 0.00 0.00 23.12 18.41 2e5s s ALA 41 CO 0.44 -3.34 1.95 -1.01 0.00 0.00 0.00 175.76 173.80 2e5s s HIS 42 N 4.94 1.56 1.16 0.00 3.76 -1.26 -4.43 115.29 121.03 2e5s s HIS 42 Ca 0.38 0.52 -0.20 0.00 -0.15 0.00 0.00 55.06 55.61 2e5s s HIS 42 Cb -0.05 -4.04 0.29 0.00 1.11 0.00 0.00 32.58 29.88 2e5s s HIS 42 CO 0.02 -3.55 1.03 -0.35 -0.85 0.00 0.00 174.74 171.04 2e5s n PRO 43 N 8.42 -3.04 -0.39 8.40 -0.04 -1.26 -4.96 135.00 142.13 2e5s n PRO 43 Ca 0.25 -1.65 0.12 0.00 -0.04 0.00 0.00 63.50 62.18 2e5s n PRO 43 Cb 0.46 -1.55 0.33 0.00 -0.04 0.00 0.00 33.50 32.70 2e5s n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e5s n ALA 44 N -4.77 2.41 -3.65 0.55 0.00 -1.26 -4.95 120.51 108.83 2e5s n ALA 44 Ca -0.19 -1.32 -0.23 0.00 0.00 0.00 0.00 53.44 51.69 2e5s n ALA 44 Cb 0.56 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 19.13 2e5s n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2e5s n ASP 45 N 1.65 -3.98 -2.15 0.00 9.92 -1.26 -4.91 116.55 115.83 2e5s n ASP 45 Ca 0.25 -0.67 -0.28 0.00 -0.53 0.00 0.00 54.79 53.56 2e5s n ASP 45 Cb 0.64 -4.60 0.04 0.00 -0.64 0.00 0.00 41.12 36.55 2e5s n ASP 45 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2e5s n SER 46 N -3.01 5.82 -3.07 -2.24 3.41 -1.26 -4.90 113.62 108.37 2e5s n SER 46 Ca -0.11 -3.76 -0.17 0.00 -0.26 0.00 0.00 58.87 54.56 2e5s n SER 46 Cb 0.60 -0.55 0.07 0.00 -0.26 0.00 0.00 64.21 64.07 2e5s n SER 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2e5s n THR 47 N -0.76 -3.95 -2.35 6.66 -1.04 -1.26 -4.95 114.28 106.63 2e5s n THR 47 Ca 0.50 -0.24 -0.19 0.00 -2.04 0.00 0.00 64.05 62.08 2e5s n THR 47 Cb 0.85 -4.17 0.02 0.00 -1.82 0.00 0.00 70.33 65.22 2e5s n THR 47 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2e5s n MET 48 N -3.92 2.97 -4.15 -2.82 2.81 -1.26 -5.05 117.12 105.71 2e5s n MET 48 Ca -0.13 -4.04 -0.15 0.00 -1.81 0.00 0.00 57.70 51.57 2e5s n MET 48 Cb 0.60 -2.04 -0.13 0.00 -0.71 0.00 0.00 33.22 30.94 2e5s n MET 48 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2e5s s ILE 49 N -4.53 0.63 -0.25 2.02 1.01 -1.26 -4.75 121.20 114.07 2e5s s ILE 49 Ca 0.43 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2e5s s ILE 49 Cb 0.40 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 42.23 2e5s s ILE 49 CO -0.03 -0.16 0.03 -1.81 0.00 0.00 0.00 174.94 172.97 2e5s s ASP 50 N -1.09 4.85 0.00 3.58 1.01 -1.26 -4.96 116.67 118.81 2e5s s ASP 50 Ca -0.04 -0.33 0.13 0.00 0.71 0.00 0.00 52.55 53.01 2e5s s ASP 50 Cb -0.07 -1.86 0.75 0.00 1.01 0.00 0.00 42.92 42.75 2e5s s ASP 50 CO 0.00 -0.05 1.28 0.35 0.21 0.00 0.00 175.17 176.96 2e5s n THR 51 N 4.88 0.00 -0.08 -1.27 -2.24 -1.26 0.15 114.28 114.45 2e5s n THR 51 Ca -0.17 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 2e5s n THR 51 Cb 0.51 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 2e5s n THR 51 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2e5s n SER 52 N -0.77 1.94 0.00 3.42 7.64 -1.26 -4.70 113.62 119.89 2e5s n SER 52 Ca 0.09 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2e5s n SER 52 Cb 0.04 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2e5s n ASP 53 N -4.13 1.47 -3.37 6.43 8.00 -1.19 -5.04 116.55 118.72 2e5s n ASP 53 Ca -0.36 -0.23 -0.16 0.00 0.71 0.00 0.00 54.79 54.74 2e5s n ASP 53 Cb 0.81 0.75 0.09 0.00 -0.02 0.00 0.00 41.12 42.75 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2e5s n ASN 54 N -0.90 -2.74 -4.10 -2.24 2.85 0.40 -4.89 115.26 103.65 2e5s n ASN 54 Ca 0.00 -0.63 -0.15 0.00 -0.11 0.00 0.00 54.58 53.70 2e5s n ASN 54 Cb 0.00 -5.08 -0.12 0.00 1.24 0.00 0.00 39.78 35.82 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2e5s s THR 55 N -3.36 0.71 0.07 -0.44 -4.23 -1.26 -1.10 115.64 106.04 2e5s s THR 55 Ca 0.07 -1.16 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 2e5s s THR 55 Cb -0.01 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 2e5s s THR 55 CO 0.72 -0.34 -0.08 0.68 -0.54 0.00 0.00 174.62 175.06 2e5s s VAL 56 N -1.37 3.54 0.70 2.29 -7.23 -0.15 -4.16 120.40 114.02 2e5s s VAL 56 Ca -0.07 -1.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.89 2e5s s VAL 56 Cb -0.10 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.24 2e5s s VAL 56 CO 0.01 0.21 1.12 -0.89 -0.31 0.00 0.00 175.10 175.23 2e5s s THR 57 N -1.15 3.13 -0.09 5.32 2.01 -1.26 -1.09 115.64 122.50 2e5s s THR 57 Ca 0.21 0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2e5s s THR 57 Cb -0.11 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.42 2e5s s THR 57 CO 0.12 -0.36 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.86 2e5s s VAL 58 N -2.42 1.36 -0.18 3.82 1.01 0.25 -2.91 120.40 121.34 2e5s s VAL 58 Ca 0.67 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2e5s s VAL 58 Cb -0.21 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2e5s s VAL 58 CO 0.45 0.41 1.75 0.00 0.00 0.00 0.00 175.10 177.71 2e5s h MET 60 N 11.23 -0.34 0.17 0.00 4.05 -1.96 -3.06 114.93 125.03 2e5s h MET 60 Ca -0.37 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 2e5s h MET 60 Cb 1.18 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.02 2e5s h MET 60 CO 0.98 -0.14 -0.40 0.38 0.23 0.00 0.00 176.91 177.96 2e5s h ASP 61 N -0.47 -1.19 -0.79 1.39 2.03 -1.90 -2.27 116.42 113.21 2e5s h ASP 61 Ca -0.04 0.12 0.18 0.00 -0.73 0.00 0.00 57.03 56.56 2e5s h ASP 61 Cb 0.35 0.43 -0.15 0.00 -0.83 0.00 0.00 39.33 39.13 2e5s h ASP 61 CO 0.06 -0.45 -0.14 0.00 -1.03 0.00 0.00 179.24 177.68 2e5s n TYR 62 N -4.78 0.35 -0.27 4.15 9.36 -1.23 0.20 117.16 124.94 2e5s n TYR 62 Ca -0.07 0.96 0.07 0.00 3.32 0.00 0.00 57.90 62.18 2e5s n TYR 62 Cb 0.33 -1.00 0.22 0.00 -0.63 0.00 0.00 39.34 38.26 2e5s n TYR 62 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2e5s h ILE 63 N 0.00 0.63 0.00 2.97 1.08 -1.30 0.40 117.51 121.29 2e5s h ILE 63 Ca 0.41 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.72 2e5s h ILE 63 Cb 0.69 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2e5s h ILE 63 CO -0.79 0.08 -0.02 0.11 -0.69 0.00 0.00 178.15 176.84 2e5s h LYS 64 N 0.46 0.00 0.00 2.37 1.79 0.24 -3.46 116.57 117.97 2e5s h LYS 64 Ca 0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2e5s h LYS 64 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2e5s h LYS 64 CO -0.43 0.02 0.00 0.41 -1.08 0.00 0.00 179.45 178.38 2e5s n GLY 65 N -1.30 1.92 2.89 3.86 0.00 0.14 -5.07 105.19 107.64 2e5s n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2e5s n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e5s s ARG 66 N 0.00 1.35 -0.48 1.61 6.06 -1.25 -4.95 118.95 121.29 2e5s s ARG 66 Ca 0.00 -1.04 -0.10 0.00 -2.50 0.00 0.00 55.73 52.09 2e5s s ARG 66 Cb 0.00 -2.51 0.12 0.00 0.06 0.00 0.00 34.95 32.62 2e5s s ARG 66 CO 0.00 -0.70 0.36 0.00 -2.50 0.00 0.00 175.30 172.46 2e5s n MET 68 N 4.92 0.76 -0.41 0.00 0.00 -1.26 -4.93 117.12 116.19 2e5s n MET 68 Ca -0.08 -2.40 -0.29 0.00 0.00 0.00 0.00 57.70 54.93 2e5s n MET 68 Cb 0.41 -0.88 0.26 0.00 0.00 0.00 0.00 33.22 33.01 2e5s n MET 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2e5s n ARG 69 N -0.45 -3.21 -2.60 2.12 1.74 -1.26 -4.89 116.66 108.11 2e5s n ARG 69 Ca 0.11 -0.93 -0.43 0.00 -0.77 0.00 0.00 57.85 55.84 2e5s n ARG 69 Cb 0.84 -2.01 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 2e5s n ARG 69 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2e5s s GLU 70 N -4.43 3.82 -1.43 5.56 2.12 -1.26 -3.86 118.70 119.22 2e5s s GLU 70 Ca 0.66 0.74 -0.04 0.00 0.36 0.00 0.00 54.97 56.68 2e5s s GLU 70 Cb -0.20 -3.86 0.03 0.00 0.26 0.00 0.00 34.13 30.37 2e5s s GLU 70 CO 0.62 -1.24 0.63 1.63 -0.54 0.00 0.00 175.26 176.35 2e5s n LYS 71 N 7.56 -4.08 -1.44 4.30 4.76 -1.26 -4.71 118.16 123.29 2e5s n LYS 71 Ca 0.12 0.49 -0.56 0.00 -2.87 0.00 0.00 58.31 55.49 2e5s n LYS 71 Cb 0.48 -4.93 -0.08 0.00 -1.84 0.00 0.00 35.03 28.67 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e5s n LYS 73 N 3.18 2.54 -4.38 0.00 0.00 -1.26 -5.06 118.16 113.17 2e5s n LYS 73 Ca 0.25 -3.72 -0.27 0.00 -0.00 0.00 0.00 58.31 54.58 2e5s n LYS 73 Cb -0.04 -1.84 -0.11 0.00 -0.00 0.00 0.00 35.03 33.04 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2e5s s TYR 74 N -3.39 2.41 0.32 5.58 2.02 -1.26 -5.04 117.35 117.98 2e5s s TYR 74 Ca 0.40 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 56.51 2e5s s TYR 74 Cb 0.37 -1.18 -0.10 0.00 -0.40 0.00 0.00 41.96 40.65 2e5s s TYR 74 CO -0.01 0.51 1.20 0.12 -1.57 0.00 0.00 175.55 175.80 2e5s s PHE 75 N -1.72 3.28 -0.43 2.71 5.36 -1.14 -4.73 117.98 121.30 2e5s s PHE 75 Ca 0.23 1.55 -0.07 0.00 -0.96 0.00 0.00 56.93 57.68 2e5s s PHE 75 Cb -0.08 -3.48 0.10 0.00 -0.34 0.00 0.00 43.02 39.23 2e5s s PHE 75 CO 0.12 -1.23 0.27 -1.01 -1.46 0.00 0.00 175.22 171.91 2e5s s HIS 76 N -1.18 3.45 0.91 10.12 3.76 -1.26 -3.11 115.29 127.97 2e5s s HIS 76 Ca 0.48 -1.95 -0.12 0.00 -0.15 0.00 0.00 55.06 53.32 2e5s s HIS 76 Cb -0.35 -3.24 0.14 0.00 1.11 0.00 0.00 32.58 30.23 2e5s s HIS 76 CO 0.46 -0.95 1.09 -1.25 -0.85 0.00 0.00 174.74 173.25 2e5s s PRO 77 N 1.31 1.16 1.24 8.40 0.04 -1.26 -5.05 135.00 140.84 2e5s s PRO 77 Ca 0.05 0.79 -0.21 0.00 0.04 0.00 0.00 61.00 61.67 2e5s s PRO 77 Cb -0.24 -1.80 0.31 0.00 0.04 0.00 0.00 34.50 32.81 2e5s s PRO 77 CO -0.01 -2.30 1.10 -0.35 0.04 0.00 0.00 177.00 175.48 2e5s n PRO 78 N -3.92 -3.18 0.06 0.56 -0.04 -1.26 -4.66 135.00 122.56 2e5s n PRO 78 Ca 0.07 -1.76 -0.02 0.00 -0.04 0.00 0.00 63.50 61.74 2e5s n PRO 78 Cb 0.55 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 2e5s n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e5s h ALA 79 N -2.75 -0.84 -0.76 0.55 0.00 -1.98 0.29 119.26 113.77 2e5s h ALA 79 Ca -0.42 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 54.62 2e5s h ALA 79 Cb 1.27 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2e5s h ALA 79 CO 0.27 -0.83 -0.15 -2.39 0.00 0.00 0.00 179.25 176.15 2e5s n HIS 80 N -2.49 0.31 0.12 0.00 1.44 -1.26 -0.08 115.22 113.26 2e5s n HIS 80 Ca -0.02 0.92 -0.12 0.00 -2.01 0.00 0.00 57.72 56.49 2e5s n HIS 80 Cb 0.06 -0.96 -0.07 0.00 0.12 0.00 0.00 29.99 29.13 2e5s n HIS 80 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2e5s h LEU 81 N 0.00 -0.30 -1.32 2.39 3.38 -1.93 -3.11 115.31 114.42 2e5s h LEU 81 Ca 0.38 -0.23 0.42 0.00 0.09 0.00 0.00 57.88 58.54 2e5s h LEU 81 Cb 0.63 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 2e5s h LEU 81 CO -0.77 0.15 0.90 0.00 0.09 0.00 0.00 178.44 178.81 2e5s n GLN 82 N -5.05 -0.02 0.00 1.13 6.02 0.10 0.23 117.38 119.79 2e5s n GLN 82 Ca -0.09 0.96 -0.17 0.00 -0.01 0.00 0.00 57.00 57.69 2e5s n GLN 82 Cb 0.26 -2.02 -0.12 0.00 1.02 0.00 0.00 30.24 29.39 2e5s n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5s h ALA 83 N 1.09 0.04 -1.06 -1.58 0.00 -1.30 -3.11 119.26 113.34 2e5s h ALA 83 Ca 0.74 -0.57 0.32 0.00 0.00 0.00 0.00 54.91 55.39 2e5s h ALA 83 Cb 2.62 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 20.32 2e5s h ALA 83 CO -0.23 0.30 0.64 0.87 0.00 0.00 0.00 179.25 180.83 2e5s h LYS 84 N -0.24 0.33 0.08 0.00 1.57 0.28 -0.08 116.57 118.52 2e5s h LYS 84 Ca -0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2e5s h LYS 84 Cb 1.31 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2e5s h LYS 84 CO 0.11 0.22 -0.04 0.82 -0.57 0.00 0.00 179.45 179.99 2e5s h ILE 85 N 0.34 1.17 -0.51 1.86 5.03 -1.55 -2.78 117.51 121.06 2e5s h ILE 85 Ca 0.71 -1.29 0.09 0.00 -0.12 0.00 0.00 64.86 64.25 2e5s h ILE 85 Cb 1.72 1.95 -0.10 0.00 -3.03 0.00 0.00 36.82 37.35 2e5s h ILE 85 CO -0.49 0.30 -0.35 0.11 -0.68 0.00 0.00 178.15 177.04 2e5s h LYS 86 N -0.75 -0.20 0.08 2.37 1.57 -0.99 -1.52 116.57 117.13 2e5s h LYS 86 Ca -0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2e5s h LYS 86 Cb 0.58 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 2e5s h LYS 86 CO 0.02 -0.14 -0.21 0.00 -0.57 0.00 0.00 179.45 178.56 2e5s h ALA 87 N 0.83 -0.33 -0.95 3.86 0.00 -1.34 -2.47 119.26 118.86 2e5s h ALA 87 Ca 0.20 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.32 2e5s h ALA 87 Cb 0.55 0.34 -0.18 0.00 0.00 0.00 0.00 17.79 18.51 2e5s h ALA 87 CO -0.63 -0.73 -0.04 0.00 0.00 0.00 0.00 179.25 177.85 2e5s h ALA 88 N 0.45 0.98 0.39 0.00 0.00 -1.00 -0.27 119.26 119.80 2e5s h ALA 88 Ca 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2e5s h ALA 88 Cb 0.41 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2e5s h ALA 88 CO -0.14 -0.50 -0.50 1.96 0.00 0.00 0.00 179.25 180.08 2e5s h GLN 89 N 0.02 -0.88 -6.11 0.00 1.08 -0.93 -3.39 115.11 104.91 2e5s h GLN 89 Ca 0.54 0.06 -0.58 0.00 -1.45 0.00 0.00 58.65 57.22 2e5s h GLN 89 Cb 1.03 0.20 -0.07 0.00 -0.05 0.00 0.00 27.48 28.58 2e5s h GLN 89 CO -0.91 -0.58 0.70 -1.01 -0.95 0.00 0.00 178.83 176.08 2e5s s HIS 90 N -5.71 3.20 -0.25 2.96 3.76 -0.11 -4.96 115.29 114.18 2e5s s HIS 90 Ca -0.17 1.14 -0.30 0.00 -0.15 0.00 0.00 55.06 55.58 2e5s s HIS 90 Cb 0.05 -3.47 -0.07 0.00 1.11 0.00 0.00 32.58 30.19 2e5s s HIS 90 CO 0.58 -0.65 2.20 0.94 -0.85 0.00 0.00 174.74 176.95 2e5s n GLN 91 N 6.57 1.72 -3.18 1.40 7.27 -1.26 -4.80 117.38 125.10 2e5s n GLN 91 Ca 0.10 0.48 0.05 0.00 0.07 0.00 0.00 57.00 57.69 2e5s n GLN 91 Cb 0.47 -2.98 -0.02 0.00 2.41 0.00 0.00 30.24 30.12 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2e5s s ALA 92 N 7.81 -3.33 -0.17 1.69 0.00 -1.26 -5.15 121.76 121.36 2e5s s ALA 92 Ca 1.03 1.52 -0.13 0.00 0.00 0.00 0.00 51.96 54.39 2e5s s ALA 92 Cb -0.51 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 2e5s s ALA 92 CO 0.40 -1.38 0.25 1.21 0.00 0.00 0.00 175.76 176.24 2e5s s ASN 93 N 2.86 6.37 0.09 0.00 3.84 -1.26 -4.94 114.94 121.90 2e5s s ASN 93 Ca -0.00 0.43 0.00 0.00 0.21 0.00 0.00 52.86 53.50 2e5s s ASN 93 Cb -0.10 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 2e5s s ASN 93 CO -0.12 0.12 0.00 1.67 -2.79 0.00 0.00 177.10 175.98 2e5s n GLN 94 N 3.58 0.00 -4.21 0.43 0.00 -1.26 -5.10 117.38 110.81 2e5s n GLN 94 Ca -0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.69 2e5s n GLN 94 Cb 0.52 -0.41 -0.12 0.00 0.00 0.00 0.00 30.24 30.23 2e5s n GLN 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2e5s s ALA 95 N -2.00 1.11 -0.38 1.69 0.00 -1.26 -5.12 121.76 115.80 2e5s s ALA 95 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2e5s s ALA 95 Cb 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.14 2e5s s ALA 95 CO 0.00 0.16 0.20 0.00 0.00 0.00 0.00 175.76 176.13 2e5s s ALA 96 N -1.14 1.53 -0.04 0.00 0.00 -1.26 -4.93 121.76 115.91 2e5s s ALA 96 Ca -0.02 -2.12 -0.01 0.00 0.00 0.00 0.00 51.96 49.81 2e5s s ALA 96 Cb -0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 2e5s s ALA 96 CO 0.02 -2.01 -0.05 0.28 0.00 0.00 0.00 175.76 174.00 2e5s n VAL 97 N 4.00 0.24 0.00 0.00 0.31 -1.26 -5.33 118.33 116.29 2e5s n VAL 97 Ca 0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2e5s n VAL 97 Cb 0.37 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2e5s n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51