#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s s SER 2 N 0.00 1.14 0.20 1.61 0.15 -1.26 -5.16 113.70 110.38 2e5s s SER 2 Ca 0.00 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.38 2e5s s SER 2 Cb 0.00 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 2e5s s SER 2 CO 0.00 -0.02 -0.19 -0.44 1.20 0.00 0.00 173.24 173.79 2e5s s SER 3 N -0.93 2.99 -0.26 5.45 0.01 -1.26 -5.14 113.70 114.56 2e5s s SER 3 Ca -0.01 -0.92 -0.09 0.00 1.31 0.00 0.00 55.95 56.23 2e5s s SER 3 Cb -0.07 -0.20 0.11 0.00 0.21 0.00 0.00 66.02 66.07 2e5s s SER 3 CO 0.00 -0.01 0.56 -0.83 0.41 0.00 0.00 173.24 173.37 2e5s s GLY 4 N -2.94 -0.57 -0.14 3.44 0.00 -1.26 -5.07 107.32 100.78 2e5s s GLY 4 Ca 0.21 2.02 -0.11 0.00 0.00 0.00 0.00 44.72 46.84 2e5s s GLY 4 CO 0.09 2.71 -0.21 1.44 0.00 0.00 0.00 173.10 177.12 2e5s n SER 5 N 5.26 1.72 -4.08 1.64 7.64 -1.26 -4.98 113.62 119.56 2e5s n SER 5 Ca -0.12 0.52 -0.32 0.00 1.01 0.00 0.00 58.87 59.96 2e5s n SER 5 Cb 0.50 -0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 62.88 2e5s n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e5s n SER 6 N -4.41 -2.76 -4.25 6.43 2.88 -1.26 -4.88 113.62 105.37 2e5s n SER 6 Ca -0.09 -0.96 -0.34 0.00 -1.33 0.00 0.00 58.87 56.16 2e5s n SER 6 Cb 0.32 -3.10 0.12 0.00 -0.75 0.00 0.00 64.21 60.80 2e5s n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5s n GLY 7 N -1.62 -2.66 3.68 0.46 0.00 -1.26 -4.96 105.19 98.82 2e5s n GLY 7 Ca -0.04 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2e5s n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5s s SER 8 N -1.69 5.76 0.03 1.61 0.01 -1.26 -5.10 113.70 113.06 2e5s s SER 8 Ca 0.52 0.15 0.07 0.00 1.31 0.00 0.00 55.95 58.00 2e5s s SER 8 Cb -0.12 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 2e5s s SER 8 CO 0.68 0.22 -0.20 0.42 0.41 0.00 0.00 173.24 174.77 2e5s s THR 9 N 0.11 2.64 -0.71 1.44 -4.23 -1.26 -5.09 115.64 108.54 2e5s s THR 9 Ca 0.06 -1.19 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 2e5s s THR 9 Cb -0.12 -2.08 0.18 0.00 1.34 0.00 0.00 72.50 71.83 2e5s s THR 9 CO 0.00 0.38 0.56 0.00 -0.54 0.00 0.00 174.62 175.02 2e5s s ALA 10 N -0.87 3.78 0.00 3.99 0.00 -1.26 -4.79 121.76 122.61 2e5s s ALA 10 Ca 0.13 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 48.77 2e5s s ALA 10 Cb -0.10 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2e5s s ALA 10 CO 0.04 -2.17 0.00 0.25 0.00 0.00 0.00 175.76 173.88 2e5s n THR 11 N 3.57 0.00 -1.56 0.00 -2.24 -1.26 -4.78 114.28 108.01 2e5s n THR 11 Ca 0.11 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.54 2e5s n THR 11 Cb 0.41 -1.07 0.06 0.00 -2.10 0.00 0.00 70.33 67.62 2e5s n THR 11 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2e5s n GLN 12 N -2.77 2.83 -3.80 -0.78 -0.06 -1.26 -4.83 117.38 106.71 2e5s n GLN 12 Ca 0.00 -3.47 -0.30 0.00 -2.00 0.00 0.00 57.00 51.23 2e5s n GLN 12 Cb 0.48 -2.28 -0.14 0.00 -4.06 0.00 0.00 30.24 24.24 2e5s n GLN 12 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2e5s s LYS 13 N -3.85 1.44 -0.47 3.69 2.20 -1.26 -4.97 119.74 116.52 2e5s s LYS 13 Ca 0.60 -2.08 0.07 0.00 -0.36 0.00 0.00 55.97 54.20 2e5s s LYS 13 Cb 0.48 -2.64 0.39 0.00 -1.51 0.00 0.00 37.83 34.55 2e5s s LYS 13 CO -0.09 -1.12 1.02 1.28 -0.36 0.00 0.00 175.35 176.08 2e5s n LEU 14 N 3.59 4.07 -3.76 5.43 4.77 -1.26 -5.03 117.00 124.81 2e5s n LEU 14 Ca 0.06 -5.22 -0.13 0.00 -0.03 0.00 0.00 56.01 50.70 2e5s n LEU 14 Cb 0.35 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2e5s n LEU 14 CO 0.26 2.22 -0.01 -1.48 -1.33 0.00 0.00 177.39 177.04 2e5s s LEU 15 N -3.41 0.74 -0.21 2.23 2.34 -1.26 -4.76 118.68 114.34 2e5s s LEU 15 Ca 0.46 0.65 -0.27 0.00 0.06 0.00 0.00 54.13 55.02 2e5s s LEU 15 Cb 0.36 1.10 0.11 0.00 -0.56 0.00 0.00 46.19 47.20 2e5s s LEU 15 CO -0.14 -0.12 0.93 0.00 -1.06 0.00 0.00 176.35 175.96 2e5s s ARG 16 N 0.24 0.66 -0.23 1.48 1.04 -0.93 -5.00 118.95 116.21 2e5s s ARG 16 Ca -0.01 0.48 0.12 0.00 -1.04 0.00 0.00 55.73 55.29 2e5s s ARG 16 Cb -0.03 0.32 0.45 0.00 -2.04 0.00 0.00 34.95 33.65 2e5s s ARG 16 CO -0.00 -0.14 1.19 -2.37 -0.04 0.00 0.00 175.30 173.93 2e5s n THR 17 N 1.67 2.02 -1.47 4.99 5.66 -1.26 -4.67 114.28 121.22 2e5s n THR 17 Ca -0.13 -3.44 -0.26 0.00 -3.05 0.00 0.00 64.05 57.17 2e5s n THR 17 Cb 0.56 -0.32 -0.07 0.00 -1.55 0.00 0.00 70.33 68.96 2e5s n THR 17 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2e5s n ASP 18 N -0.71 6.44 -3.82 1.09 9.92 -1.26 -4.85 116.55 123.36 2e5s n ASP 18 Ca 0.28 -3.12 -0.17 0.00 -0.53 0.00 0.00 54.79 51.25 2e5s n ASP 18 Cb 0.88 -1.26 -0.16 0.00 -0.64 0.00 0.00 41.12 39.93 2e5s n ASP 18 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2e5s s LYS 19 N -1.35 0.28 -0.05 -1.24 -0.14 -1.26 0.19 119.74 116.16 2e5s s LYS 19 Ca 0.60 0.07 0.06 0.00 -1.36 0.00 0.00 55.97 55.34 2e5s s LYS 19 Cb 0.36 -0.45 -0.01 0.00 -1.68 0.00 0.00 37.83 36.05 2e5s s LYS 19 CO -0.19 -0.12 -0.24 -0.51 -0.76 0.00 0.00 175.35 173.53 2e5s s LEU 20 N 0.93 2.12 -0.15 3.17 1.43 -0.31 -4.94 118.68 120.93 2e5s s LEU 20 Ca -0.09 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 2e5s s LEU 20 Cb -0.13 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 2e5s s LEU 20 CO -0.02 0.26 1.14 -1.61 0.23 0.00 0.00 176.35 176.35 2e5s s GLU 21 N -0.25 4.30 0.23 1.70 2.02 -1.26 -0.42 118.70 125.02 2e5s s GLU 21 Ca -0.01 1.53 -0.30 0.00 0.02 0.00 0.00 54.97 56.22 2e5s s GLU 21 Cb -0.13 -3.64 -0.09 0.00 0.10 0.00 0.00 34.13 30.37 2e5s s GLU 21 CO 0.03 -0.55 1.18 0.08 0.02 0.00 0.00 175.26 176.02 2e5s s VAL 22 N 2.84 3.46 0.05 2.63 1.01 -0.47 -1.38 120.40 128.54 2e5s s VAL 22 Ca 0.51 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 2e5s s VAL 22 Cb -0.20 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2e5s s VAL 22 CO 0.15 0.25 1.17 0.00 0.00 0.00 0.00 175.10 176.66 2e5s h ARG 24 N 6.81 0.33 0.60 0.00 3.08 -1.95 -3.32 114.38 119.94 2e5s h ARG 24 Ca -0.41 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.25 2e5s h ARG 24 Cb 1.21 0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.37 2e5s h ARG 24 CO 0.80 1.05 -0.29 0.93 -1.07 0.00 0.00 179.97 181.39 2e5s h GLU 25 N 0.19 -0.78 -0.73 0.04 5.08 -1.97 -3.19 114.58 113.22 2e5s h GLU 25 Ca -0.07 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 2e5s h GLU 25 Cb 1.55 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.84 2e5s h GLU 25 CO 0.15 -0.52 -0.01 0.34 -1.00 0.00 0.00 179.01 177.97 2e5s n PHE 26 N -4.91 0.44 -0.13 4.33 7.35 -1.26 0.11 117.46 123.39 2e5s n PHE 26 Ca -0.10 0.88 -0.07 0.00 -0.76 0.00 0.00 57.45 57.40 2e5s n PHE 26 Cb 0.32 -1.03 -0.00 0.00 0.35 0.00 0.00 39.48 39.11 2e5s n PHE 26 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2e5s h GLN 27 N 0.00 -0.20 -0.60 -4.13 4.20 -1.64 0.55 115.11 113.28 2e5s h GLN 27 Ca 0.43 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2e5s h GLN 27 Cb 0.86 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2e5s h GLN 27 CO -0.69 -0.14 0.00 2.89 -0.67 0.00 0.00 178.83 180.22 2e5s n ARG 28 N -5.41 1.64 -3.71 1.46 1.85 0.29 -4.88 116.66 107.90 2e5s n ARG 28 Ca 0.02 -0.63 -0.22 0.00 -1.00 0.00 0.00 57.85 56.02 2e5s n ARG 28 Cb 0.33 -1.44 0.03 0.00 -1.05 0.00 0.00 32.46 30.33 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 0.39 -0.30 0.00 2.89 0.00 0.19 -4.89 105.19 103.47 2e5s n GLY 29 Ca 0.06 0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 2e5s n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e5s n ASN 30 N -3.05 4.76 -4.62 1.61 5.15 -1.07 -4.97 115.26 113.07 2e5s n ASN 30 Ca -0.30 -0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.26 2e5s n ASN 30 Cb 0.68 0.47 0.00 0.00 -0.53 0.00 0.00 39.78 40.40 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e5s n ALA 32 N -0.21 1.93 0.29 0.00 0.00 -1.26 -4.52 120.51 116.75 2e5s n ALA 32 Ca 0.09 -0.41 0.17 0.00 0.00 0.00 0.00 53.44 53.28 2e5s n ALA 32 Cb 0.37 0.01 0.81 0.00 0.00 0.00 0.00 19.45 20.64 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 -2.35 0.00 3.08 -1.91 -3.48 114.38 109.72 2e5s h ARG 33 Ca -0.15 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.17 2e5s h ARG 33 Cb 1.19 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.16 2e5s h ARG 33 CO 0.01 0.00 -0.43 0.41 -1.07 0.00 0.00 179.97 178.88 2e5s n GLY 34 N -0.65 -1.44 0.14 0.04 0.00 -1.26 -0.07 105.19 101.95 2e5s n GLY 34 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.23 0.98 -0.02 1.61 2.13 -1.26 -0.11 120.64 120.75 2e5s n GLU 35 Ca -0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 2e5s n GLU 35 Cb 0.62 -1.13 -0.05 0.00 0.27 0.00 0.00 31.44 31.15 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 -0.36 0.21 -0.04 6.31 -2.24 -1.24 -4.70 114.28 112.22 2e5s n THR 36 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2e5s n THR 36 Cb 0.07 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.98 0.26 -4.88 3.42 -0.08 0.91 -5.04 116.55 109.15 2e5s n ASP 37 Ca -0.06 -0.60 -0.35 0.00 -1.51 0.00 0.00 54.79 52.27 2e5s n ASP 37 Cb 0.45 0.60 -0.05 0.00 2.34 0.00 0.00 41.12 44.45 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e5s h ARG 39 N 4.20 0.47 -6.71 0.00 3.08 -1.93 -3.45 114.38 110.04 2e5s h ARG 39 Ca -0.51 -0.64 -0.52 0.00 0.07 0.00 0.00 59.98 58.37 2e5s h ARG 39 Cb 1.20 0.22 0.04 0.00 0.08 0.00 0.00 29.97 31.51 2e5s h ARG 39 CO 0.65 1.27 0.71 -0.06 -1.07 0.00 0.00 179.97 181.47 2e5s s PHE 40 N -2.93 3.14 0.05 3.04 0.40 -1.26 -4.85 117.98 115.56 2e5s s PHE 40 Ca -0.07 1.11 -0.31 0.00 -0.60 0.00 0.00 56.93 57.07 2e5s s PHE 40 Cb 0.07 -3.72 -0.06 0.00 0.51 0.00 0.00 43.02 39.82 2e5s s PHE 40 CO 0.90 -2.30 1.34 0.00 0.70 0.00 0.00 175.22 175.87 2e5s s ALA 41 N 0.08 3.54 -0.52 5.36 0.00 -0.48 -4.58 121.76 125.16 2e5s s ALA 41 Ca 0.58 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.31 2e5s s ALA 41 Cb -0.39 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 19.29 2e5s s ALA 41 CO 0.40 -0.70 0.49 -1.01 0.00 0.00 0.00 175.76 174.94 2e5s s HIS 42 N 1.68 3.21 0.82 0.00 3.76 -1.26 -2.93 115.29 120.56 2e5s s HIS 42 Ca 0.62 -1.06 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 2e5s s HIS 42 Cb -0.32 -3.55 0.08 0.00 1.11 0.00 0.00 32.58 29.90 2e5s s HIS 42 CO 0.28 -0.96 1.09 -1.25 -0.85 0.00 0.00 174.74 173.05 2e5s s PRO 43 N 1.80 1.89 0.11 8.40 0.04 -1.26 -4.98 135.00 141.00 2e5s s PRO 43 Ca 0.05 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 2e5s s PRO 43 Cb -0.26 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2e5s s PRO 43 CO 0.05 -1.87 1.46 0.00 0.04 0.00 0.00 177.00 176.68 2e5s h ALA 44 N -1.29 0.46 -2.88 8.56 0.00 -1.99 -3.47 119.26 118.64 2e5s h ALA 44 Ca -0.46 -0.37 -0.36 0.00 0.00 0.00 0.00 54.91 53.73 2e5s h ALA 44 Cb 1.25 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 2e5s h ALA 44 CO 0.52 0.42 -0.37 0.34 0.00 0.00 0.00 179.25 180.16 2e5s s ASP 45 N -6.47 1.18 -0.26 0.00 2.15 -1.26 -5.04 116.67 106.97 2e5s s ASP 45 Ca -0.12 -1.59 -0.02 0.00 0.43 0.00 0.00 52.55 51.25 2e5s s ASP 45 Cb 0.09 0.59 0.12 0.00 -0.30 0.00 0.00 42.92 43.41 2e5s s ASP 45 CO 0.82 -1.14 2.25 -0.24 -0.17 0.00 0.00 175.17 176.69 2e5s n SER 46 N -1.35 6.18 -0.09 -0.34 2.88 -1.26 -4.00 113.62 115.64 2e5s n SER 46 Ca 0.04 -2.93 -0.12 0.00 -1.33 0.00 0.00 58.87 54.53 2e5s n SER 46 Cb 0.62 -1.13 -0.08 0.00 -0.75 0.00 0.00 64.21 62.87 2e5s n SER 46 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2e5s n THR 47 N 0.79 1.03 -0.96 2.46 -1.04 -1.26 -4.53 114.28 110.77 2e5s n THR 47 Ca 0.29 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.05 61.65 2e5s n THR 47 Cb 0.58 -1.10 0.11 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.99 2.17 -5.00 -2.82 2.81 -1.26 -4.90 117.12 105.13 2e5s n MET 48 Ca -0.31 -2.52 -0.28 0.00 -1.81 0.00 0.00 57.70 52.79 2e5s n MET 48 Cb 0.85 -1.99 -0.15 0.00 -0.71 0.00 0.00 33.22 31.22 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 -3.22 1.73 -0.20 2.02 1.01 -1.26 -4.69 121.20 116.59 2e5s s ILE 49 Ca 0.49 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 2e5s s ILE 49 Cb 0.40 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 2e5s s ILE 49 CO 0.04 0.43 -0.04 -0.62 0.00 0.00 0.00 174.94 174.76 2e5s s ASP 50 N -0.66 4.43 0.00 3.58 -1.08 -1.26 -4.97 116.67 116.71 2e5s s ASP 50 Ca 0.08 -0.32 0.17 0.00 -0.52 0.00 0.00 52.55 51.96 2e5s s ASP 50 Cb -0.09 -1.75 1.03 0.00 -1.46 0.00 0.00 42.92 40.66 2e5s s ASP 50 CO -0.00 0.03 1.49 0.35 0.52 0.00 0.00 175.17 177.57 2e5s n THR 51 N 4.44 0.00 -0.07 1.71 -2.24 -1.26 0.18 114.28 117.04 2e5s n THR 51 Ca -0.18 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 2e5s n THR 51 Cb 0.51 -0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 68.12 2e5s n THR 51 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2e5s n SER 52 N -0.87 2.01 0.00 3.42 3.41 -1.26 -4.73 113.62 115.60 2e5s n SER 52 Ca 0.13 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2e5s n SER 52 Cb 0.06 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2e5s n ASP 53 N -3.75 3.92 -3.20 4.04 8.00 -1.18 -5.04 116.55 119.34 2e5s n ASP 53 Ca -0.39 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 54.93 2e5s n ASP 53 Cb 0.93 0.66 0.08 0.00 -0.02 0.00 0.00 41.12 42.77 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 -1.33 -3.91 -4.18 -2.24 2.85 0.47 -4.93 115.26 101.98 2e5s n ASN 54 Ca 0.00 -0.51 -0.19 0.00 -0.11 0.00 0.00 54.58 53.77 2e5s n ASN 54 Cb 0.12 -4.56 -0.12 0.00 1.24 0.00 0.00 39.78 36.47 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 -3.30 1.17 0.04 -0.44 -4.23 -1.26 -1.37 115.64 106.25 2e5s s THR 55 Ca 0.25 -1.34 0.07 0.00 -1.18 0.00 0.00 61.69 59.49 2e5s s THR 55 Cb -0.11 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.57 2e5s s THR 55 CO 0.65 -0.22 -0.19 0.68 -0.54 0.00 0.00 174.62 175.00 2e5s s VAL 56 N -1.29 2.70 0.44 2.29 -7.23 0.44 -4.42 120.40 113.33 2e5s s VAL 56 Ca -0.01 -1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 58.74 2e5s s VAL 56 Cb -0.10 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 2e5s s VAL 56 CO 0.02 0.35 1.04 -0.89 -0.31 0.00 0.00 175.10 175.32 2e5s s THR 57 N -0.90 3.75 -0.10 5.32 2.01 -1.26 -1.16 115.64 123.30 2e5s s THR 57 Ca 0.14 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.37 2e5s s THR 57 Cb -0.10 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2e5s s THR 57 CO 0.05 -0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.06 2e5s s VAL 58 N -1.81 3.21 -0.27 3.82 1.01 0.13 -2.92 120.40 123.57 2e5s s VAL 58 Ca 0.62 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2e5s s VAL 58 Cb -0.19 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2e5s s VAL 58 CO 0.24 0.55 1.72 0.00 0.00 0.00 0.00 175.10 177.61 2e5s h MET 60 N 11.83 -0.19 0.18 0.00 4.05 -1.95 -2.82 114.93 126.02 2e5s h MET 60 Ca -0.34 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.10 2e5s h MET 60 Cb 1.16 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.96 2e5s h MET 60 CO 1.01 -0.13 -0.46 -0.44 0.23 0.00 0.00 176.91 177.12 2e5s h ASP 61 N -0.20 -1.36 -0.97 1.39 5.19 -1.90 -2.11 116.42 116.46 2e5s h ASP 61 Ca 0.01 0.14 0.24 0.00 -0.62 0.00 0.00 57.03 56.80 2e5s h ASP 61 Cb 0.21 0.50 -0.18 0.00 0.18 0.00 0.00 39.33 40.03 2e5s h ASP 61 CO -0.04 -0.54 -0.06 0.22 -3.12 0.00 0.00 179.24 175.70 2e5s h TYR 62 N -0.74 -0.20 -0.87 4.55 3.20 -1.69 0.87 116.97 122.09 2e5s h TYR 62 Ca -0.00 0.08 0.14 0.00 3.14 0.00 0.00 58.73 62.09 2e5s h TYR 62 Cb 0.74 0.24 -0.09 0.00 1.54 0.00 0.00 36.73 39.16 2e5s h TYR 62 CO -0.37 -0.41 0.46 0.82 -1.64 0.00 0.00 178.16 177.02 2e5s h ILE 63 N 0.01 0.75 0.00 1.81 1.08 -1.13 0.32 117.51 120.36 2e5s h ILE 63 Ca 0.54 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.77 2e5s h ILE 63 Cb 1.03 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2e5s h ILE 63 CO -0.93 0.12 -0.07 0.11 -0.69 0.00 0.00 178.15 176.70 2e5s h LYS 64 N 0.67 0.00 0.00 2.37 1.57 0.93 -3.46 116.57 118.65 2e5s h LYS 64 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2e5s h LYS 64 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2e5s h LYS 64 CO -0.35 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.01 2e5s n GLY 65 N -0.88 2.03 2.84 3.86 0.00 0.11 -5.06 105.19 108.09 2e5s n GLY 65 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.22 1.13 -0.50 1.61 3.00 -1.23 -4.96 118.95 117.77 2e5s s ARG 66 Ca 0.00 -0.94 -0.05 0.00 -1.00 0.00 0.00 55.73 53.75 2e5s s ARG 66 Cb 0.00 -2.36 0.13 0.00 0.00 0.00 0.00 34.95 32.72 2e5s s ARG 66 CO 0.00 -0.74 0.33 0.00 0.00 0.00 0.00 175.30 174.89 2e5s n MET 68 N 4.30 1.46 -1.65 0.00 0.00 -1.26 -4.94 117.12 115.03 2e5s n MET 68 Ca 0.00 -2.79 -0.49 0.00 0.00 0.00 0.00 57.70 54.42 2e5s n MET 68 Cb 0.40 -1.56 -0.05 0.00 0.00 0.00 0.00 33.22 32.02 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 -1.30 1.72 -1.53 2.12 1.74 -1.26 -4.72 116.66 113.43 2e5s n ARG 69 Ca 0.17 0.62 -0.24 0.00 -0.77 0.00 0.00 57.85 57.63 2e5s n ARG 69 Cb 0.68 -2.35 -0.13 0.00 -1.02 0.00 0.00 32.46 29.64 2e5s n ARG 69 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2e5s n GLU 70 N 3.76 0.38 -2.65 5.56 2.13 -1.26 -0.30 120.64 128.26 2e5s n GLU 70 Ca 0.19 -0.31 -0.06 0.00 0.66 0.00 0.00 57.16 57.64 2e5s n GLU 70 Cb 0.24 -2.48 0.03 0.00 0.27 0.00 0.00 31.44 29.50 2e5s n GLU 70 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2e5s n LYS 71 N 7.77 -2.27 -1.28 5.31 4.81 -1.26 -4.91 118.16 126.33 2e5s n LYS 71 Ca 0.55 0.26 -0.50 0.00 -0.87 0.00 0.00 58.31 57.75 2e5s n LYS 71 Cb 0.30 -3.55 -0.06 0.00 0.02 0.00 0.00 35.03 31.74 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2e5s n LYS 73 N 1.24 2.13 -4.36 0.00 2.85 -1.26 -5.08 118.16 113.68 2e5s n LYS 73 Ca 0.17 -3.68 -0.20 0.00 -1.05 0.00 0.00 58.31 53.56 2e5s n LYS 73 Cb 0.09 -1.71 -0.10 0.00 -0.65 0.00 0.00 35.03 32.65 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2e5s s TYR 74 N -3.57 1.79 0.43 5.58 1.51 -1.26 -5.10 117.35 116.74 2e5s s TYR 74 Ca 0.34 -0.53 -0.23 0.00 -1.01 0.00 0.00 57.07 55.64 2e5s s TYR 74 Cb 0.38 -0.83 -0.08 0.00 -0.11 0.00 0.00 41.96 41.32 2e5s s TYR 74 CO -0.02 0.39 1.13 0.12 -1.11 0.00 0.00 175.55 176.06 2e5s s PHE 75 N -2.76 3.03 -0.34 2.71 5.36 -1.15 -4.80 117.98 120.04 2e5s s PHE 75 Ca 0.22 1.57 0.04 0.00 -0.96 0.00 0.00 56.93 57.80 2e5s s PHE 75 Cb -0.02 -3.29 0.10 0.00 -0.34 0.00 0.00 43.02 39.46 2e5s s PHE 75 CO 0.08 -1.19 0.05 -1.01 -1.46 0.00 0.00 175.22 171.69 2e5s s HIS 76 N -1.57 3.72 0.87 10.12 3.76 -1.26 -2.74 115.29 128.18 2e5s s HIS 76 Ca 0.61 -2.98 -0.11 0.00 -0.15 0.00 0.00 55.06 52.43 2e5s s HIS 76 Cb -0.26 -2.90 0.11 0.00 1.11 0.00 0.00 32.58 30.64 2e5s s HIS 76 CO 0.33 -0.95 1.09 -1.25 -0.85 0.00 0.00 174.74 173.11 2e5s s PRO 77 N 0.92 1.50 1.21 8.40 0.04 -1.26 -5.05 135.00 140.76 2e5s s PRO 77 Ca 0.11 0.91 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 2e5s s PRO 77 Cb -0.19 -1.83 0.30 0.00 0.04 0.00 0.00 34.50 32.82 2e5s s PRO 77 CO -0.08 -2.09 1.07 -0.35 0.04 0.00 0.00 177.00 175.58 2e5s n PRO 78 N -3.79 -3.11 0.13 0.56 -0.04 -1.26 -4.65 135.00 122.83 2e5s n PRO 78 Ca 0.07 -1.71 -0.05 0.00 -0.04 0.00 0.00 63.50 61.77 2e5s n PRO 78 Cb 0.55 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.73 -0.82 -0.82 0.55 0.00 -1.96 0.25 119.26 113.73 2e5s h ALA 79 Ca -0.40 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 54.70 2e5s h ALA 79 Cb 1.23 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.00 2e5s h ALA 79 CO 0.26 -0.79 0.16 -2.39 0.00 0.00 0.00 179.25 176.49 2e5s n HIS 80 N -3.17 0.67 0.09 0.00 1.44 -1.26 -0.83 115.22 112.16 2e5s n HIS 80 Ca -0.04 0.98 -0.05 0.00 -2.01 0.00 0.00 57.72 56.60 2e5s n HIS 80 Cb 0.13 -1.21 -0.02 0.00 0.12 0.00 0.00 29.99 29.01 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 -0.28 -1.08 2.39 3.38 -1.92 -3.26 115.31 114.54 2e5s h LEU 81 Ca 0.56 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.91 2e5s h LEU 81 Cb 1.30 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.03 2e5s h LEU 81 CO -0.72 0.15 0.71 0.00 0.09 0.00 0.00 178.44 178.67 2e5s n GLN 82 N -4.82 -0.02 0.01 1.13 6.02 0.87 0.20 117.38 120.76 2e5s n GLN 82 Ca -0.04 0.90 -0.13 0.00 -0.01 0.00 0.00 57.00 57.72 2e5s n GLN 82 Cb 0.13 -1.82 -0.09 0.00 1.02 0.00 0.00 30.24 29.48 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 1.10 -0.02 -1.74 -1.58 0.00 -1.30 -2.68 119.26 113.03 2e5s h ALA 83 Ca 0.65 -0.19 0.52 0.00 0.00 0.00 0.00 54.91 55.89 2e5s h ALA 83 Cb 2.20 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.90 2e5s h ALA 83 CO -0.29 -0.32 1.23 0.87 0.00 0.00 0.00 179.25 180.74 2e5s h LYS 84 N -0.41 0.01 0.02 0.00 6.56 0.22 0.47 116.57 123.44 2e5s h LYS 84 Ca -0.00 -0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 2e5s h LYS 84 Cb 0.40 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 2e5s h LYS 84 CO 0.00 0.01 -0.59 0.82 -2.06 0.00 0.00 179.45 177.64 2e5s h ILE 85 N 0.01 1.43 -0.84 1.86 5.03 -1.48 -3.10 117.51 120.42 2e5s h ILE 85 Ca 0.89 -2.31 0.09 0.00 -0.12 0.00 0.00 64.86 63.41 2e5s h ILE 85 Cb 3.37 2.95 -0.07 0.00 -3.03 0.00 0.00 36.82 40.04 2e5s h ILE 85 CO -0.13 0.53 0.49 0.11 -0.68 0.00 0.00 178.15 178.47 2e5s h LYS 86 N -0.89 0.81 0.35 2.37 1.57 0.10 -1.59 116.57 119.29 2e5s h LYS 86 Ca -0.15 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2e5s h LYS 86 Cb 1.21 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2e5s h LYS 86 CO -0.05 0.53 -0.17 0.00 -0.57 0.00 0.00 179.45 179.19 2e5s h ALA 87 N 1.46 -0.47 -0.62 3.86 0.00 -0.80 -3.13 119.26 119.56 2e5s h ALA 87 Ca 0.40 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.28 2e5s h ALA 87 Cb 0.35 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 2e5s h ALA 87 CO -0.24 -0.66 0.01 0.00 0.00 0.00 0.00 179.25 178.36 2e5s h ALA 88 N -0.10 0.62 -0.92 0.00 0.00 -1.39 0.05 119.26 117.52 2e5s h ALA 88 Ca -0.05 0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.30 2e5s h ALA 88 Cb 0.47 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.44 2e5s h ALA 88 CO 0.08 -0.39 0.37 1.96 0.00 0.00 0.00 179.25 181.27 2e5s h GLN 89 N 0.13 0.29 0.02 0.00 1.08 -1.25 0.64 115.11 116.02 2e5s h GLN 89 Ca 0.32 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.53 2e5s h GLN 89 Cb 0.53 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 2e5s h GLN 89 CO -0.52 0.19 -0.48 0.45 -0.95 0.00 0.00 178.83 177.51 2e5s h HIS 90 N 0.30 -1.39 0.00 2.96 3.86 -0.97 -3.43 115.15 116.47 2e5s h HIS 90 Ca 0.61 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 2e5s h HIS 90 Cb 1.25 0.61 0.00 0.00 1.06 0.00 0.00 27.41 30.33 2e5s h HIS 90 CO -0.16 -0.55 0.00 1.04 0.86 0.00 0.00 177.93 179.13 2e5s n GLN 91 N -5.46 0.00 -1.50 2.45 1.13 -0.35 -4.99 117.38 108.65 2e5s n GLN 91 Ca -0.07 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.59 2e5s n GLN 91 Cb 0.39 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.62 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2e5s n ALA 92 N -2.37 0.44 -2.83 -1.58 0.00 0.07 -4.89 120.51 109.34 2e5s n ALA 92 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 2e5s n ALA 92 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 19.45 16.88 2e5s n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2e5s s ASN 93 N 9.72 6.43 -0.33 0.00 4.22 -1.26 -3.65 114.94 130.07 2e5s s ASN 93 Ca 1.25 0.46 0.03 0.00 -2.14 0.00 0.00 52.86 52.46 2e5s s ASN 93 Cb -0.97 -2.05 0.09 0.00 1.28 0.00 0.00 41.25 39.60 2e5s s ASN 93 CO 0.44 0.27 0.04 -1.58 -2.04 0.00 0.00 177.10 174.22 2e5s s GLN 94 N -1.78 1.46 -0.51 3.55 0.74 -1.26 -4.98 119.66 116.88 2e5s s GLN 94 Ca 0.26 -1.70 -0.02 0.00 0.05 0.00 0.00 55.36 53.95 2e5s s GLN 94 Cb -0.13 -3.01 0.30 0.00 1.10 0.00 0.00 33.01 31.28 2e5s s GLN 94 CO 0.16 -0.90 2.09 0.00 -0.55 0.00 0.00 175.29 176.10 2e5s n ALA 95 N 4.35 5.82 -2.58 1.58 0.00 -1.26 -2.20 120.51 126.23 2e5s n ALA 95 Ca 0.01 -2.67 -0.42 0.00 0.00 0.00 0.00 53.44 50.36 2e5s n ALA 95 Cb 0.42 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 2e5s n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s s ALA 96 N -2.77 3.05 0.13 0.00 0.00 -1.26 -4.97 121.76 115.94 2e5s s ALA 96 Ca 0.49 -2.63 -0.31 0.00 0.00 0.00 0.00 51.96 49.51 2e5s s ALA 96 Cb 0.38 -4.58 -0.08 0.00 0.00 0.00 0.00 23.12 18.83 2e5s s ALA 96 CO -0.05 -3.43 1.42 0.08 0.00 0.00 0.00 175.76 173.77 2e5s s VAL 97 N 4.51 3.18 0.00 0.00 1.01 -1.26 -4.89 120.40 122.95 2e5s s VAL 97 Ca 0.50 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2e5s s VAL 97 Cb 0.02 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2e5s s VAL 97 CO -0.00 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.16