#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 -0.30 0.02 1.61 1.04 -1.26 -5.19 113.70 109.62 2e5s s SER 2 Ca 0.00 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.64 2e5s s SER 2 Cb 0.00 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.92 2e5s s SER 2 CO 0.00 -1.27 1.06 -0.94 0.98 0.00 0.00 173.24 173.07 2e5s s SER 3 N -2.89 -0.19 0.00 7.02 1.04 -1.26 -5.19 113.70 112.23 2e5s s SER 3 Ca 0.09 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2e5s s SER 3 Cb -0.05 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2e5s s SER 3 CO 0.04 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2e5s n GLY 4 N -0.35 1.88 3.33 7.32 0.00 -1.26 -5.08 105.19 111.03 2e5s n GLY 4 Ca -0.06 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 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 2.00 7.05 -0.68 1.61 0.01 -1.26 -4.87 113.70 117.56 2e5s s SER 5 Ca 0.00 -3.24 -0.02 0.00 1.31 0.00 0.00 55.95 54.00 2e5s s SER 5 Cb 0.00 -2.20 0.41 0.00 0.21 0.00 0.00 66.02 64.44 2e5s s SER 5 CO 0.00 -0.40 2.05 -1.54 0.41 0.00 0.00 173.24 173.77 2e5s n SER 6 N 3.19 7.58 -3.66 2.44 3.41 -1.26 -4.83 113.62 120.50 2e5s n SER 6 Ca 0.20 -3.74 -0.29 0.00 -0.26 0.00 0.00 58.87 54.78 2e5s n SER 6 Cb 0.42 -1.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.21 2e5s n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e5s s GLY 7 N -1.51 0.77 -0.05 5.00 0.00 -1.26 -5.13 107.32 105.14 2e5s s GLY 7 Ca 0.60 -1.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 2e5s s GLY 7 CO -0.09 1.76 0.08 -0.56 0.00 0.00 0.00 173.10 174.29 2e5s s SER 8 N 1.86 5.76 -0.16 1.64 0.01 -1.26 -5.07 113.70 116.48 2e5s s SER 8 Ca 0.08 0.23 -0.29 0.00 1.31 0.00 0.00 55.95 57.27 2e5s s SER 8 Cb -0.17 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 2e5s s SER 8 CO -0.27 0.33 1.13 0.28 0.41 0.00 0.00 173.24 175.13 2e5s s THR 9 N -1.08 4.49 -0.19 1.44 -1.32 -1.26 -5.01 115.64 112.71 2e5s s THR 9 Ca 0.19 1.80 -0.03 0.00 -1.21 0.00 0.00 61.69 62.44 2e5s s THR 9 Cb -0.12 -4.16 0.06 0.00 -1.51 0.00 0.00 72.50 66.77 2e5s s THR 9 CO 0.09 -0.11 0.04 0.00 -2.21 0.00 0.00 174.62 172.43 2e5s s ALA 10 N 2.93 0.93 -0.07 11.08 0.00 -1.26 -4.90 121.76 130.47 2e5s s ALA 10 Ca 0.50 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 2e5s s ALA 10 Cb -0.19 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.82 2e5s s ALA 10 CO 0.13 -1.15 1.99 0.25 0.00 0.00 0.00 175.76 176.99 2e5s n THR 11 N 5.08 2.16 -2.49 0.00 -2.24 -1.26 -4.77 114.28 110.76 2e5s n THR 11 Ca -0.09 -0.75 -0.08 0.00 -2.27 0.00 0.00 64.05 60.86 2e5s n THR 11 Cb 0.47 -1.46 -0.02 0.00 -2.10 0.00 0.00 70.33 67.23 2e5s n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e5s n GLN 12 N 1.23 -2.10 -5.00 -0.78 10.64 -1.26 -4.84 117.38 115.27 2e5s n GLN 12 Ca 0.07 0.03 -0.32 0.00 -1.83 0.00 0.00 57.00 54.94 2e5s n GLN 12 Cb 0.52 -3.50 -0.15 0.00 -0.86 0.00 0.00 30.24 26.24 2e5s n GLN 12 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2e5s s LYS 13 N -4.34 3.06 0.12 2.61 2.20 -1.26 -5.10 119.74 117.03 2e5s s LYS 13 Ca 0.16 -0.78 -0.24 0.00 -0.36 0.00 0.00 55.97 54.75 2e5s s LYS 13 Cb -0.09 -2.43 0.08 0.00 -1.51 0.00 0.00 37.83 33.88 2e5s s LYS 13 CO 0.20 0.28 1.11 -0.48 -0.36 0.00 0.00 175.35 176.10 2e5s s LEU 14 N 0.15 0.00 -0.95 5.43 0.05 -1.26 -5.02 118.68 117.07 2e5s s LEU 14 Ca -0.10 -0.53 -0.00 0.00 0.05 0.00 0.00 54.13 53.55 2e5s s LEU 14 Cb -0.16 1.86 -0.00 0.00 -2.05 0.00 0.00 46.19 45.84 2e5s s LEU 14 CO 0.06 -0.78 0.80 -0.11 -0.55 0.00 0.00 176.35 175.76 2e5s n LEU 15 N -0.75 -3.73 -4.94 1.48 7.94 -1.26 -5.02 117.00 110.72 2e5s n LEU 15 Ca -0.01 -0.50 -0.24 0.00 -1.11 0.00 0.00 56.01 54.14 2e5s n LEU 15 Cb 0.59 -2.62 -0.02 0.00 0.53 0.00 0.00 43.42 41.91 2e5s n LEU 15 CO 0.19 0.29 0.11 -0.60 -1.11 0.00 0.00 177.39 176.27 2e5s s ARG 16 N -5.02 3.49 -0.18 1.96 6.06 -1.26 -5.03 118.95 118.97 2e5s s ARG 16 Ca 0.03 -0.40 0.18 0.00 -2.50 0.00 0.00 55.73 53.04 2e5s s ARG 16 Cb -0.00 -2.74 -0.25 0.00 0.06 0.00 0.00 34.95 32.01 2e5s s ARG 16 CO 0.59 0.25 0.13 -2.37 -2.50 0.00 0.00 175.30 171.40 2e5s n THR 17 N -1.45 1.30 -1.08 4.11 5.66 -1.26 -4.37 114.28 117.18 2e5s n THR 17 Ca -0.05 -0.83 -0.26 0.00 -3.05 0.00 0.00 64.05 59.86 2e5s n THR 17 Cb 0.56 -0.45 0.07 0.00 -1.55 0.00 0.00 70.33 68.95 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 -2.73 6.81 -3.84 1.09 5.68 -1.26 -4.89 116.55 117.42 2e5s n ASP 18 Ca -0.30 -3.43 -0.12 0.00 -0.50 0.00 0.00 54.79 50.44 2e5s n ASP 18 Cb 1.11 -0.99 -0.10 0.00 -1.14 0.00 0.00 41.12 40.00 2e5s n ASP 18 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2e5s s LYS 19 N -2.84 0.52 -0.07 0.11 1.02 -1.26 0.50 119.74 117.72 2e5s s LYS 19 Ca 0.48 -0.30 -0.00 0.00 0.02 0.00 0.00 55.97 56.17 2e5s s LYS 19 Cb 0.38 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.94 2e5s s LYS 19 CO 0.00 -0.13 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.76 2e5s s LEU 20 N -1.29 1.01 -0.01 3.17 1.43 0.49 -4.89 118.68 118.58 2e5s s LEU 20 Ca -0.14 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 2e5s s LEU 20 Cb -0.07 -0.52 -0.06 0.00 0.03 0.00 0.00 46.19 45.57 2e5s s LEU 20 CO 0.02 -0.12 1.62 -1.61 0.23 0.00 0.00 176.35 176.50 2e5s s GLU 21 N 1.48 4.20 0.18 1.70 2.02 -1.26 -0.83 118.70 126.18 2e5s s GLU 21 Ca -0.02 2.20 -0.30 0.00 0.02 0.00 0.00 54.97 56.87 2e5s s GLU 21 Cb -0.13 -3.83 -0.08 0.00 0.10 0.00 0.00 34.13 30.19 2e5s s GLU 21 CO -0.03 -0.78 1.20 0.08 0.02 0.00 0.00 175.26 175.75 2e5s s VAL 22 N 3.46 3.59 0.56 2.63 1.01 -0.42 -2.42 120.40 128.80 2e5s s VAL 22 Ca 0.72 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.83 2e5s s VAL 22 Cb -0.35 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2e5s s VAL 22 CO 0.30 0.20 1.21 0.00 0.00 0.00 0.00 175.10 176.81 2e5s n ARG 24 N -1.29 0.70 0.23 0.00 5.12 -1.26 -4.18 116.66 115.98 2e5s n ARG 24 Ca 0.12 0.24 -0.13 0.00 -1.93 0.00 0.00 57.85 56.15 2e5s n ARG 24 Cb 0.49 -1.71 -0.07 0.00 -1.16 0.00 0.00 32.46 30.02 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2e5s h GLU 25 N 0.03 -0.61 -0.98 5.56 5.08 -1.96 -3.20 114.58 118.50 2e5s h GLU 25 Ca -0.40 0.04 0.31 0.00 -1.00 0.00 0.00 59.36 58.32 2e5s h GLU 25 Cb 2.03 0.14 -0.18 0.00 0.50 0.00 0.00 28.75 31.24 2e5s h GLU 25 CO 0.06 -0.32 0.18 0.34 -1.00 0.00 0.00 179.01 178.27 2e5s n PHE 26 N -5.23 0.79 -0.29 4.33 7.35 -1.26 0.12 117.46 123.27 2e5s n PHE 26 Ca -0.10 1.18 0.11 0.00 -0.76 0.00 0.00 57.45 57.88 2e5s n PHE 26 Cb 0.30 -1.34 0.27 0.00 0.35 0.00 0.00 39.48 39.06 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 0.38 -0.86 -4.13 4.20 -1.71 0.46 115.11 113.45 2e5s h GLN 27 Ca 0.67 -0.02 -0.34 0.00 0.06 0.00 0.00 58.65 59.01 2e5s h GLN 27 Cb 1.53 -0.09 -0.21 0.00 0.30 0.00 0.00 27.48 29.02 2e5s h GLN 27 CO -0.87 0.25 0.44 2.89 -0.67 0.00 0.00 178.83 180.87 2e5s n ARG 28 N -5.05 3.15 -4.13 1.46 1.85 0.32 -4.91 116.66 109.35 2e5s n ARG 28 Ca 0.20 -3.06 -0.33 0.00 -1.00 0.00 0.00 57.85 53.67 2e5s n ARG 28 Cb 0.60 -2.21 -0.02 0.00 -1.05 0.00 0.00 32.46 29.77 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 -0.55 -0.37 0.05 2.89 0.00 0.16 -4.83 105.19 102.54 2e5s n GLY 29 Ca 0.49 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.77 2.81 -4.63 1.61 5.15 -0.90 -4.97 115.26 111.55 2e5s n ASN 30 Ca -0.06 -0.03 -0.45 0.00 -0.60 0.00 0.00 54.58 53.44 2e5s n ASN 30 Cb 0.56 0.37 -0.02 0.00 -0.53 0.00 0.00 39.78 40.16 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 1.15 1.97 0.29 0.00 0.00 -1.26 -4.44 120.51 118.23 2e5s n ALA 32 Ca 0.11 -0.64 0.18 0.00 0.00 0.00 0.00 53.44 53.08 2e5s n ALA 32 Cb 0.31 -0.16 0.88 0.00 0.00 0.00 0.00 19.45 20.47 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 -3.02 0.00 3.08 -1.91 -3.48 114.38 109.05 2e5s h ARG 33 Ca -0.22 0.00 0.37 0.00 0.07 0.00 0.00 59.98 60.20 2e5s h ARG 33 Cb 1.36 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.32 2e5s h ARG 33 CO 0.01 0.04 -0.51 0.41 -1.07 0.00 0.00 179.97 178.85 2e5s n GLY 34 N -0.55 -1.79 0.16 0.04 0.00 -1.26 -0.36 105.19 101.44 2e5s n GLY 34 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.00 0.98 -0.03 1.61 2.13 -1.26 -0.29 120.64 119.77 2e5s n GLU 35 Ca 0.01 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 2e5s n GLU 35 Cb 0.66 -1.15 -0.05 0.00 0.27 0.00 0.00 31.44 31.16 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 -0.34 0.48 0.14 6.31 -2.24 -1.24 -4.70 114.28 112.69 2e5s n THR 36 Ca 0.00 -0.29 0.01 0.00 -2.27 0.00 0.00 64.05 61.50 2e5s n THR 36 Cb 0.08 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.48 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 -2.28 0.19 -4.81 3.42 2.03 0.52 -5.01 116.55 110.61 2e5s n ASP 37 Ca -0.12 -0.59 -0.37 0.00 0.52 0.00 0.00 54.79 54.23 2e5s n ASP 37 Cb 0.72 0.96 -0.06 0.00 -0.72 0.00 0.00 41.12 42.02 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 5.40 0.65 -6.63 0.00 0.11 -1.94 -3.45 114.38 108.52 2e5s h ARG 39 Ca -0.49 -0.52 -0.53 0.00 0.10 0.00 0.00 59.98 58.54 2e5s h ARG 39 Cb 1.20 0.10 0.03 0.00 1.11 0.00 0.00 29.97 32.42 2e5s h ARG 39 CO 0.65 1.14 0.66 -0.06 0.10 0.00 0.00 179.97 182.46 2e5s s PHE 40 N -3.74 3.28 0.41 4.08 0.40 -1.26 -4.93 117.98 116.22 2e5s s PHE 40 Ca -0.09 1.18 -0.26 0.00 -0.60 0.00 0.00 56.93 57.17 2e5s s PHE 40 Cb 0.09 -3.60 -0.09 0.00 0.51 0.00 0.00 43.02 39.94 2e5s s PHE 40 CO 0.88 -1.91 1.31 0.00 0.70 0.00 0.00 175.22 176.20 2e5s s ALA 41 N 0.38 3.25 -0.40 5.36 0.00 -1.02 -4.56 121.76 124.78 2e5s s ALA 41 Ca 0.58 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.78 2e5s s ALA 41 Cb -0.36 -3.50 0.11 0.00 0.00 0.00 0.00 23.12 19.37 2e5s s ALA 41 CO 0.36 -0.86 0.18 -1.01 0.00 0.00 0.00 175.76 174.42 2e5s s HIS 42 N -1.26 3.60 -0.82 0.00 3.76 -1.26 -2.32 115.29 117.00 2e5s s HIS 42 Ca 0.57 -2.48 -0.25 0.00 -0.15 0.00 0.00 55.06 52.76 2e5s s HIS 42 Cb -0.39 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.11 2e5s s HIS 42 CO 0.50 -0.97 1.92 -1.25 -0.85 0.00 0.00 174.74 174.09 2e5s s PRO 43 N 1.11 2.58 -0.15 8.40 0.04 -1.26 -4.67 135.00 141.05 2e5s s PRO 43 Ca 0.08 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.11 2e5s s PRO 43 Cb -0.22 -4.87 -0.11 0.00 0.04 0.00 0.00 34.50 29.34 2e5s s PRO 43 CO -0.05 -3.19 -0.11 0.00 0.04 0.00 0.00 177.00 173.69 2e5s n ALA 44 N 13.63 1.68 0.03 8.56 0.00 -1.26 -4.65 120.51 138.49 2e5s n ALA 44 Ca 0.35 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 2e5s n ALA 44 Cb 0.48 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 2e5s n ALA 44 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2e5s h ASP 45 N 0.00 -0.07 -4.15 0.00 2.03 -2.03 -3.45 116.42 108.75 2e5s h ASP 45 Ca -0.34 0.02 -0.34 0.00 -0.73 0.00 0.00 57.03 55.64 2e5s h ASP 45 Cb 1.55 0.04 -0.14 0.00 -0.83 0.00 0.00 39.33 39.94 2e5s h ASP 45 CO -0.04 -0.03 -0.67 -0.55 -1.03 0.00 0.00 179.24 176.92 2e5s s SER 46 N -5.17 1.57 -0.54 4.15 0.15 -1.26 -5.05 113.70 107.55 2e5s s SER 46 Ca -0.13 -1.18 -0.02 0.00 0.70 0.00 0.00 55.95 55.32 2e5s s SER 46 Cb 0.07 0.05 0.35 0.00 -1.71 0.00 0.00 66.02 64.78 2e5s s SER 46 CO 0.66 -0.51 2.05 1.07 1.20 0.00 0.00 173.24 177.71 2e5s n THR 47 N -0.32 3.31 -2.65 6.45 5.66 -1.26 -4.80 114.28 120.66 2e5s n THR 47 Ca -0.06 -2.50 -0.43 0.00 -3.05 0.00 0.00 64.05 58.01 2e5s n THR 47 Cb 0.63 -1.24 -0.00 0.00 -1.55 0.00 0.00 70.33 68.17 2e5s n THR 47 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2e5s s MET 48 N -3.03 3.96 0.05 1.09 -1.94 -1.26 -4.93 119.30 113.24 2e5s s MET 48 Ca 0.52 -2.02 0.04 0.00 -1.71 0.00 0.00 55.69 52.52 2e5s s MET 48 Cb 0.40 -5.42 -0.02 0.00 2.01 0.00 0.00 34.83 31.80 2e5s s MET 48 CO -0.03 -2.15 -0.12 0.42 -0.01 0.00 0.00 175.02 173.12 2e5s s ILE 49 N 3.78 0.96 -0.22 2.53 1.01 -1.26 -4.82 121.20 123.18 2e5s s ILE 49 Ca 0.51 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 2e5s s ILE 49 Cb 0.02 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 2e5s s ILE 49 CO 0.04 -0.14 -0.01 -1.81 0.00 0.00 0.00 174.94 173.02 2e5s s ASP 50 N -1.38 4.53 0.00 3.58 1.01 -1.26 -4.96 116.67 118.19 2e5s s ASP 50 Ca -0.02 -0.33 0.08 0.00 0.71 0.00 0.00 52.55 52.99 2e5s s ASP 50 Cb -0.09 -1.79 0.48 0.00 1.01 0.00 0.00 42.92 42.53 2e5s s ASP 50 CO 0.01 -0.01 1.16 0.35 0.21 0.00 0.00 175.17 176.89 2e5s n THR 51 N 4.76 0.00 -0.10 -1.27 -2.24 -1.26 0.56 114.28 114.73 2e5s n THR 51 Ca -0.18 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 2e5s n THR 51 Cb 0.51 -0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.65 1.96 0.00 3.42 7.64 -1.26 -4.76 113.62 119.97 2e5s n SER 52 Ca 0.06 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2e5s n SER 52 Cb 0.03 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2e5s n SER 52 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2e5s n ASP 53 N -4.02 4.59 -2.25 6.43 -0.08 -1.21 -4.88 116.55 115.12 2e5s n ASP 53 Ca -0.42 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 52.78 2e5s n ASP 53 Cb 0.86 0.66 0.05 0.00 2.34 0.00 0.00 41.12 45.03 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2e5s n ASN 54 N -1.65 -2.09 -4.11 1.67 5.15 0.19 -4.93 115.26 109.49 2e5s n ASN 54 Ca 0.00 -0.32 -0.10 0.00 -0.60 0.00 0.00 54.58 53.56 2e5s n ASN 54 Cb 0.25 -2.87 -0.10 0.00 -0.53 0.00 0.00 39.78 36.53 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2e5s s THR 55 N -3.18 0.48 -0.01 -0.44 -4.23 -1.26 -1.31 115.64 105.69 2e5s s THR 55 Ca 0.01 -1.67 0.07 0.00 -1.18 0.00 0.00 61.69 58.92 2e5s s THR 55 Cb -0.00 -1.34 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 2e5s s THR 55 CO 0.37 -0.80 -0.23 0.68 -0.54 0.00 0.00 174.62 174.10 2e5s s VAL 56 N -3.16 1.85 0.60 2.29 -7.23 -0.01 -4.30 120.40 110.44 2e5s s VAL 56 Ca 0.04 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.03 2e5s s VAL 56 Cb 0.02 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 2e5s s VAL 56 CO -0.05 0.51 1.12 -0.89 -0.31 0.00 0.00 175.10 175.48 2e5s s THR 57 N -0.56 3.17 -0.11 5.32 2.01 -1.26 -0.38 115.64 123.83 2e5s s THR 57 Ca 0.09 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 2e5s s THR 57 Cb -0.09 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 2e5s s THR 57 CO -0.01 -0.24 0.01 -0.69 -0.69 0.00 0.00 174.62 173.00 2e5s s VAL 58 N -2.01 4.32 -0.65 3.82 1.01 0.18 -2.40 120.40 124.67 2e5s s VAL 58 Ca 0.70 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 2e5s s VAL 58 Cb -0.23 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.34 2e5s s VAL 58 CO 0.33 0.57 1.13 0.00 0.00 0.00 0.00 175.10 177.13 2e5s h MET 60 N 9.69 -0.46 -0.69 0.00 4.05 -1.95 -2.01 114.93 123.55 2e5s h MET 60 Ca -0.27 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.27 2e5s h MET 60 Cb 1.06 0.11 -0.11 0.00 -0.80 0.00 0.00 31.60 31.85 2e5s h MET 60 CO 1.20 -0.31 -0.48 -0.44 0.23 0.00 0.00 176.91 177.12 2e5s h ASP 61 N -0.48 -1.67 -0.56 1.39 5.19 -1.91 0.47 116.42 118.85 2e5s h ASP 61 Ca 0.08 0.27 0.11 0.00 -0.62 0.00 0.00 57.03 56.87 2e5s h ASP 61 Cb 0.63 0.76 -0.11 0.00 0.18 0.00 0.00 39.33 40.79 2e5s h ASP 61 CO -0.41 -0.32 -0.13 0.22 -3.12 0.00 0.00 179.24 175.48 2e5s h TYR 62 N -0.18 -0.28 -0.99 4.55 3.20 -1.58 0.86 116.97 122.56 2e5s h TYR 62 Ca 0.18 0.05 0.26 0.00 3.14 0.00 0.00 58.73 62.37 2e5s h TYR 62 Cb 0.54 0.21 -0.13 0.00 1.54 0.00 0.00 36.73 38.89 2e5s h TYR 62 CO -0.80 -0.23 0.56 0.82 -1.64 0.00 0.00 178.16 176.87 2e5s h ILE 63 N 0.01 0.46 0.00 1.81 1.08 -0.21 1.01 117.51 121.66 2e5s h ILE 63 Ca 0.27 -0.16 -0.05 0.00 -0.39 0.00 0.00 64.86 64.52 2e5s h ILE 63 Cb 0.41 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2e5s h ILE 63 CO -0.57 0.09 -0.25 0.11 -0.69 0.00 0.00 178.15 176.83 2e5s h LYS 64 N 0.48 0.00 0.00 2.37 1.57 -0.43 -3.47 116.57 117.09 2e5s h LYS 64 Ca 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 2e5s h LYS 64 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2e5s h LYS 64 CO -0.52 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.02 2e5s n GLY 65 N -0.28 2.15 2.85 3.86 0.00 0.35 -5.06 105.19 109.05 2e5s n GLY 65 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2e5s n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e5s s ARG 66 N -0.01 1.13 -0.55 1.61 0.52 -1.20 -4.94 118.95 115.51 2e5s s ARG 66 Ca 0.00 -1.04 -0.17 0.00 -0.52 0.00 0.00 55.73 54.00 2e5s s ARG 66 Cb 0.00 -2.39 0.11 0.00 0.52 0.00 0.00 34.95 33.19 2e5s s ARG 66 CO 0.00 -0.78 0.57 0.00 0.02 0.00 0.00 175.30 175.11 2e5s n MET 68 N 5.67 0.67 -1.28 0.00 0.00 -1.26 -4.93 117.12 115.99 2e5s n MET 68 Ca -0.12 -0.16 -0.27 0.00 0.00 0.00 0.00 57.70 57.15 2e5s n MET 68 Cb 0.41 -1.51 -0.16 0.00 0.00 0.00 0.00 33.22 31.96 2e5s n MET 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2e5s n ARG 69 N -2.35 0.00 -1.13 3.17 0.63 -1.26 -4.73 116.66 110.99 2e5s n ARG 69 Ca -0.10 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.47 2e5s n ARG 69 Cb 0.68 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.52 2e5s n ARG 69 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2e5s n GLU 70 N 6.02 0.00 -3.78 -0.14 2.13 -1.26 -0.70 120.64 122.90 2e5s n GLU 70 Ca 0.57 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 58.15 2e5s n GLU 70 Cb 0.07 -0.89 -0.07 0.00 0.27 0.00 0.00 31.44 30.82 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 1.25 -0.92 -1.56 5.31 3.00 -1.26 -4.67 118.16 119.32 2e5s n LYS 71 Ca 0.09 0.07 -0.38 0.00 -0.00 0.00 0.00 58.31 58.09 2e5s n LYS 71 Cb 0.38 -2.78 -0.03 0.00 0.00 0.00 0.00 35.03 32.60 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e5s n LYS 73 N 8.94 2.17 -4.01 0.00 2.85 -1.26 -4.95 118.16 121.90 2e5s n LYS 73 Ca 0.36 -2.61 -0.23 0.00 -1.05 0.00 0.00 58.31 54.78 2e5s n LYS 73 Cb 0.51 -2.02 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 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 -2.92 3.35 0.11 5.58 1.51 -1.26 -5.03 117.35 118.68 2e5s s TYR 74 Ca 0.50 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 56.25 2e5s s TYR 74 Cb 0.41 -1.55 -0.06 0.00 -0.11 0.00 0.00 41.96 40.65 2e5s s TYR 74 CO 0.06 0.49 1.08 0.12 -1.11 0.00 0.00 175.55 176.18 2e5s s PHE 75 N -1.93 3.61 -0.47 2.71 2.19 -1.01 -4.84 117.98 118.24 2e5s s PHE 75 Ca 0.33 1.58 -0.11 0.00 0.33 0.00 0.00 56.93 59.06 2e5s s PHE 75 Cb -0.09 -3.24 0.10 0.00 -1.31 0.00 0.00 43.02 38.48 2e5s s PHE 75 CO 0.27 -0.51 0.35 -1.01 1.83 0.00 0.00 175.22 176.16 2e5s s HIS 76 N 0.34 3.34 0.79 10.12 3.76 -1.26 -3.33 115.29 129.05 2e5s s HIS 76 Ca 0.52 -1.51 -0.11 0.00 -0.15 0.00 0.00 55.06 53.81 2e5s s HIS 76 Cb -0.27 -3.33 0.07 0.00 1.11 0.00 0.00 32.58 30.15 2e5s s HIS 76 CO 0.31 -0.92 1.09 -1.25 -0.85 0.00 0.00 174.74 173.12 2e5s s PRO 77 N 1.47 2.13 1.13 8.40 0.04 -1.26 -5.05 135.00 141.86 2e5s s PRO 77 Ca 0.04 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 2e5s s PRO 77 Cb -0.26 -1.89 0.28 0.00 0.04 0.00 0.00 34.50 32.68 2e5s s PRO 77 CO 0.02 -1.72 1.00 -0.35 0.04 0.00 0.00 177.00 175.99 2e5s n PRO 78 N -3.57 -2.99 0.16 0.56 -0.04 -1.26 -4.64 135.00 123.22 2e5s n PRO 78 Ca 0.09 -1.61 -0.06 0.00 -0.04 0.00 0.00 63.50 61.88 2e5s n PRO 78 Cb 0.53 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.69 -0.89 -0.90 0.55 0.00 -1.96 0.36 119.26 113.73 2e5s h ALA 79 Ca -0.38 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 54.62 2e5s h ALA 79 Cb 1.16 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 2e5s h ALA 79 CO 0.25 -0.86 -0.24 -2.39 0.00 0.00 0.00 179.25 176.01 2e5s n HIS 80 N -3.36 0.30 0.15 0.00 1.44 -1.26 -0.79 115.22 111.70 2e5s n HIS 80 Ca -0.05 1.10 -0.12 0.00 -2.01 0.00 0.00 57.72 56.64 2e5s n HIS 80 Cb 0.16 -1.01 -0.07 0.00 0.12 0.00 0.00 29.99 29.20 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 -0.37 -1.02 2.39 3.38 -1.93 -3.14 115.31 114.62 2e5s h LEU 81 Ca 0.42 -0.18 0.36 0.00 0.09 0.00 0.00 57.88 58.58 2e5s h LEU 81 Cb 0.65 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 2e5s h LEU 81 CO -0.92 0.06 0.65 0.00 0.09 0.00 0.00 178.44 178.32 2e5s n GLN 82 N -5.10 -0.03 -0.06 1.13 6.02 0.13 0.23 117.38 119.70 2e5s n GLN 82 Ca -0.09 0.98 -0.13 0.00 -0.01 0.00 0.00 57.00 57.76 2e5s n GLN 82 Cb 0.27 -1.91 -0.07 0.00 1.02 0.00 0.00 30.24 29.55 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 1.28 0.23 -1.40 -1.58 0.00 -1.28 -2.82 119.26 113.68 2e5s h ALA 83 Ca 0.68 -0.30 0.44 0.00 0.00 0.00 0.00 54.91 55.73 2e5s h ALA 83 Cb 2.13 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.76 2e5s h ALA 83 CO -0.39 0.07 0.94 0.87 0.00 0.00 0.00 179.25 180.73 2e5s h LYS 84 N 0.01 0.08 0.07 0.00 1.57 0.29 0.36 116.57 118.94 2e5s h LYS 84 Ca 0.03 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2e5s h LYS 84 Cb 0.61 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.90 2e5s h LYS 84 CO 0.03 0.05 -0.58 0.82 -0.57 0.00 0.00 179.45 179.20 2e5s h ILE 85 N 0.08 1.53 0.32 1.86 5.03 -1.46 -3.20 117.51 121.67 2e5s h ILE 85 Ca 0.81 -2.41 -0.00 0.00 -0.12 0.00 0.00 64.86 63.13 2e5s h ILE 85 Cb 2.69 3.15 -0.02 0.00 -3.03 0.00 0.00 36.82 39.61 2e5s h ILE 85 CO -0.31 0.64 -0.32 0.11 -0.68 0.00 0.00 178.15 177.58 2e5s h LYS 86 N -0.68 -0.65 -0.92 2.37 1.57 -0.20 -2.30 116.57 115.75 2e5s h LYS 86 Ca -0.12 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.89 2e5s h LYS 86 Cb 1.36 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.71 2e5s h LYS 86 CO 0.05 -0.43 0.50 0.00 -0.57 0.00 0.00 179.45 178.99 2e5s h ALA 87 N -0.15 1.49 -0.65 3.86 0.00 -0.84 0.21 119.26 123.19 2e5s h ALA 87 Ca -0.02 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2e5s h ALA 87 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2e5s h ALA 87 CO -0.06 -0.15 0.27 0.00 0.00 0.00 0.00 179.25 179.31 2e5s h ALA 88 N 1.64 0.86 0.00 0.00 0.00 -1.41 -2.91 119.26 117.44 2e5s h ALA 88 Ca 0.54 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 2e5s h ALA 88 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2e5s h ALA 88 CO -0.42 -0.14 -0.00 1.96 0.00 0.00 0.00 179.25 180.65 2e5s h GLN 89 N 0.48 0.00 -6.28 0.00 1.08 -0.75 -3.44 115.11 106.20 2e5s h GLN 89 Ca 0.32 -0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.97 2e5s h GLN 89 Cb 0.38 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2e5s h GLN 89 CO -0.29 0.82 0.81 -1.58 -0.95 0.00 0.00 178.83 177.64 2e5s s HIS 90 N -2.94 2.93 -0.59 2.96 2.46 0.56 -4.95 115.29 115.72 2e5s s HIS 90 Ca -0.18 0.99 -0.27 0.00 0.47 0.00 0.00 55.06 56.07 2e5s s HIS 90 Cb -0.01 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.90 2e5s s HIS 90 CO 0.69 -1.87 1.56 -1.14 -2.47 0.00 0.00 174.74 171.51 2e5s s GLN 91 N 2.72 3.07 -0.82 2.88 0.74 -1.26 -4.66 119.66 122.33 2e5s s GLN 91 Ca 0.59 0.46 -0.24 0.00 0.05 0.00 0.00 55.36 56.22 2e5s s GLN 91 Cb -0.26 -4.22 0.05 0.00 1.10 0.00 0.00 33.01 29.68 2e5s s GLN 91 CO 0.22 -2.22 1.25 0.00 -0.55 0.00 0.00 175.29 173.99 2e5s s ALA 92 N 7.03 2.87 -0.30 1.58 0.00 -1.26 -4.89 121.76 126.78 2e5s s ALA 92 Ca 0.56 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 2e5s s ALA 92 Cb -0.12 -4.24 0.19 0.00 0.00 0.00 0.00 23.12 18.95 2e5s s ALA 92 CO 0.23 -3.26 0.76 1.21 0.00 0.00 0.00 175.76 174.69 2e5s s ASN 93 N 4.07 -1.08 -0.00 0.00 2.47 -1.26 -5.17 114.94 113.97 2e5s s ASN 93 Ca 0.36 0.59 -0.28 0.00 0.42 0.00 0.00 52.86 53.95 2e5s s ASN 93 Cb -0.07 1.87 0.09 0.00 -1.45 0.00 0.00 41.25 41.70 2e5s s ASN 93 CO 0.05 -0.20 0.79 0.00 -3.72 0.00 0.00 177.10 174.01 2e5s s GLN 94 N 2.89 0.94 0.09 0.43 -2.07 -1.26 -5.19 119.66 115.49 2e5s s GLN 94 Ca 0.13 -0.13 0.01 0.00 -1.82 0.00 0.00 55.36 53.56 2e5s s GLN 94 Cb -0.12 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 2e5s s GLN 94 CO -0.19 -0.37 -0.06 0.00 -1.32 0.00 0.00 175.29 173.36 2e5s s ALA 95 N -2.44 0.86 -0.15 2.60 0.00 -1.26 -5.10 121.76 116.26 2e5s s ALA 95 Ca -0.01 -1.31 -0.40 0.00 0.00 0.00 0.00 51.96 50.24 2e5s s ALA 95 Cb -0.01 0.19 -0.17 0.00 0.00 0.00 0.00 23.12 23.13 2e5s s ALA 95 CO -0.04 -0.27 1.55 0.00 0.00 0.00 0.00 175.76 177.01 2e5s n ALA 96 N -0.00 -0.77 -2.41 0.00 0.00 -1.26 -4.93 120.51 111.14 2e5s n ALA 96 Ca -0.13 0.45 -0.38 0.00 0.00 0.00 0.00 53.44 53.39 2e5s n ALA 96 Cb 0.61 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 2e5s n ALA 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2e5s s VAL 97 N 2.24 4.91 0.00 0.00 -7.23 -1.26 -5.37 120.40 113.69 2e5s s VAL 97 Ca 0.94 0.93 0.00 0.00 -1.81 0.00 0.00 61.98 62.04 2e5s s VAL 97 Cb -1.08 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 32.09 2e5s s VAL 97 CO 0.60 0.50 0.26 0.00 -0.31 0.00 0.00 175.10 176.15