#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 0.52 -6.51 1.61 4.64 -2.14 -3.44 113.55 108.23 2e5s h SER 2 Ca 0.00 0.16 -0.52 0.00 -0.47 0.00 0.00 61.79 60.96 2e5s h SER 2 Cb 0.00 0.10 -0.29 0.00 -0.31 0.00 0.00 62.40 61.90 2e5s h SER 2 CO 0.00 -0.00 -0.76 -1.20 -0.87 0.00 0.00 176.83 174.00 2e5s n SER 3 N -4.99 -1.03 -3.93 4.97 7.64 -1.26 -4.88 113.62 110.15 2e5s n SER 3 Ca 0.27 -1.03 -0.20 0.00 1.01 0.00 0.00 58.87 58.92 2e5s n SER 3 Cb 0.79 -1.31 -0.16 0.00 -1.01 0.00 0.00 64.21 62.52 2e5s n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e5s s GLY 4 N -3.12 0.48 0.23 0.23 0.00 -1.26 -5.14 107.32 98.74 2e5s s GLY 4 Ca 0.55 -0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.90 2e5s s GLY 4 CO 0.84 0.27 0.77 -0.45 0.00 0.00 0.00 173.10 174.53 2e5s s SER 5 N 0.69 -0.28 0.13 1.64 0.15 -1.26 -5.19 113.70 109.57 2e5s s SER 5 Ca -0.10 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 55.95 2e5s s SER 5 Cb -0.13 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 2e5s s SER 5 CO 0.01 -1.18 0.33 -0.44 1.20 0.00 0.00 173.24 173.16 2e5s s SER 6 N -2.89 -0.09 0.00 5.45 0.01 -1.26 -4.98 113.70 109.94 2e5s s SER 6 Ca 0.10 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2e5s s SER 6 Cb -0.04 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2e5s s SER 6 CO 0.03 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2e5s n GLY 7 N -0.18 2.55 2.38 3.44 0.00 -1.26 -4.78 105.19 107.34 2e5s n GLY 7 Ca -0.14 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2e5s n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e5s n SER 8 N 1.92 -3.71 -4.13 1.61 2.88 -1.26 -5.05 113.62 105.88 2e5s n SER 8 Ca 0.00 -0.24 -0.17 0.00 -1.33 0.00 0.00 58.87 57.13 2e5s n SER 8 Cb 0.00 -2.50 -0.12 0.00 -0.75 0.00 0.00 64.21 60.84 2e5s n SER 8 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2e5s s THR 9 N -3.14 0.91 -0.13 2.46 -1.32 -1.26 -5.15 115.64 108.00 2e5s s THR 9 Ca 0.23 -1.22 -0.30 0.00 -1.21 0.00 0.00 61.69 59.19 2e5s s THR 9 Cb -0.10 -0.91 0.12 0.00 -1.51 0.00 0.00 72.50 70.10 2e5s s THR 9 CO 0.32 -0.27 0.97 0.00 -2.21 0.00 0.00 174.62 173.43 2e5s s ALA 10 N -1.29 -1.91 -0.84 11.08 0.00 -1.26 -4.98 121.76 122.55 2e5s s ALA 10 Ca -0.05 1.50 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 2e5s s ALA 10 Cb -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2e5s s ALA 10 CO 0.02 -0.37 0.71 2.41 0.00 0.00 0.00 175.76 178.52 2e5s n THR 11 N 0.59 -1.80 0.00 0.00 -1.04 -1.26 -4.96 114.28 105.81 2e5s n THR 11 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2e5s n THR 11 Cb 0.58 -3.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.09 2e5s n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2e5s n GLN 12 N -3.24 0.00 -3.64 -2.82 3.00 -1.26 -4.81 117.38 104.61 2e5s n GLN 12 Ca 0.00 0.63 -0.12 0.00 -0.01 0.00 0.00 57.00 57.50 2e5s n GLN 12 Cb 0.54 -1.21 -0.07 0.00 0.00 0.00 0.00 30.24 29.50 2e5s n GLN 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2e5s s LYS 13 N -1.83 0.78 -0.53 -1.09 -2.85 -1.26 -5.12 119.74 107.85 2e5s s LYS 13 Ca 0.00 1.05 0.04 0.00 -1.00 0.00 0.00 55.97 56.06 2e5s s LYS 13 Cb 0.00 0.31 0.13 0.00 -2.06 0.00 0.00 37.83 36.22 2e5s s LYS 13 CO 0.00 -0.11 0.28 -0.51 0.10 0.00 0.00 175.35 175.11 2e5s s LEU 14 N 0.77 4.20 0.14 2.77 1.02 -1.26 -4.85 118.68 121.47 2e5s s LEU 14 Ca -0.03 -3.07 0.00 0.00 0.02 0.00 0.00 54.13 51.05 2e5s s LEU 14 Cb -0.05 -1.58 0.00 0.00 0.02 0.00 0.00 46.19 44.58 2e5s s LEU 14 CO -0.06 -0.22 0.00 -0.11 0.02 0.00 0.00 176.35 175.99 2e5s n LEU 15 N 3.03 0.22 -3.96 1.79 7.94 -1.26 -5.13 117.00 119.64 2e5s n LEU 15 Ca 0.07 0.24 -0.09 0.00 -1.11 0.00 0.00 56.01 55.12 2e5s n LEU 15 Cb 0.33 0.08 -0.09 0.00 0.53 0.00 0.00 43.42 44.26 2e5s n LEU 15 CO 0.32 -0.62 -0.24 -0.13 -1.11 0.00 0.00 177.39 175.62 2e5s s ARG 16 N -2.00 0.62 0.13 1.96 1.81 -1.26 -5.05 118.95 115.15 2e5s s ARG 16 Ca 0.00 -0.88 0.20 0.00 -1.72 0.00 0.00 55.73 53.34 2e5s s ARG 16 Cb 0.00 0.24 -0.08 0.00 -0.45 0.00 0.00 34.95 34.66 2e5s s ARG 16 CO 0.00 -0.15 0.90 -2.37 -0.68 0.00 0.00 175.30 173.00 2e5s n THR 17 N 0.54 0.80 -1.06 0.02 5.66 -1.26 -4.16 114.28 114.82 2e5s n THR 17 Ca -0.18 -0.60 -0.19 0.00 -3.05 0.00 0.00 64.05 60.03 2e5s n THR 17 Cb 0.59 -0.46 -0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 -2.72 6.37 -3.94 1.09 9.92 -1.26 -4.82 116.55 121.19 2e5s n ASP 18 Ca -0.04 -3.05 -0.29 0.00 -0.53 0.00 0.00 54.79 50.87 2e5s n ASP 18 Cb 0.67 -1.13 -0.16 0.00 -0.64 0.00 0.00 41.12 39.85 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 -1.58 1.75 -0.22 -1.24 -0.14 -1.26 -0.46 119.74 116.60 2e5s s LYS 19 Ca 0.40 -0.63 -0.05 0.00 -1.36 0.00 0.00 55.97 54.32 2e5s s LYS 19 Cb 0.28 -2.15 -0.02 0.00 -1.68 0.00 0.00 37.83 34.26 2e5s s LYS 19 CO -0.07 -0.40 0.01 -0.51 -0.76 0.00 0.00 175.35 173.62 2e5s s LEU 20 N 1.53 3.25 0.04 3.17 1.43 -0.46 -4.92 118.68 122.72 2e5s s LEU 20 Ca 0.01 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 2e5s s LEU 20 Cb -0.15 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 2e5s s LEU 20 CO -0.08 0.02 1.50 -1.61 0.23 0.00 0.00 176.35 176.41 2e5s s GLU 21 N 1.25 4.25 0.01 1.70 2.02 -1.26 -0.76 118.70 125.92 2e5s s GLU 21 Ca 0.04 2.12 -0.30 0.00 0.02 0.00 0.00 54.97 56.84 2e5s s GLU 21 Cb -0.15 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 2e5s s GLU 21 CO 0.01 -0.63 1.02 0.08 0.02 0.00 0.00 175.26 175.76 2e5s s VAL 22 N 2.40 4.71 0.62 2.63 1.01 0.52 -2.45 120.40 129.84 2e5s s VAL 22 Ca 0.68 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 64.42 2e5s s VAL 22 Cb -0.35 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 2e5s s VAL 22 CO 0.29 0.15 1.31 0.00 0.00 0.00 0.00 175.10 176.86 2e5s n ARG 24 N -1.66 0.65 0.11 0.00 1.74 -1.26 -4.10 116.66 112.15 2e5s n ARG 24 Ca 0.14 0.24 -0.05 0.00 -0.77 0.00 0.00 57.85 57.41 2e5s n ARG 24 Cb 0.47 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2e5s h GLU 25 N 0.01 -0.34 -0.95 5.56 3.07 -1.97 -3.30 114.58 116.66 2e5s h GLU 25 Ca -0.34 0.02 0.31 0.00 -0.50 0.00 0.00 59.36 58.85 2e5s h GLU 25 Cb 2.05 0.08 -0.17 0.00 -0.84 0.00 0.00 28.75 29.86 2e5s h GLU 25 CO 0.07 -0.22 0.21 0.34 -1.40 0.00 0.00 179.01 178.00 2e5s n PHE 26 N -4.29 0.80 -0.30 4.33 -0.00 -1.26 0.54 117.46 117.27 2e5s n PHE 26 Ca -0.04 1.13 0.07 0.00 -0.00 0.00 0.00 57.45 58.61 2e5s n PHE 26 Cb 0.14 -1.33 0.18 0.00 -0.00 0.00 0.00 39.48 38.46 2e5s n PHE 26 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 2e5s h GLN 27 N 0.00 0.04 0.00 -4.13 4.20 -1.71 0.33 115.11 113.84 2e5s h GLN 27 Ca 0.66 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.37 2e5s h GLN 27 Cb 1.55 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.32 2e5s h GLN 27 CO -0.83 0.03 -1.01 2.89 -0.67 0.00 0.00 178.83 179.23 2e5s n ARG 28 N -5.47 0.57 -0.26 1.46 1.85 0.19 -4.99 116.66 110.01 2e5s n ARG 28 Ca 0.16 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 57.11 2e5s n ARG 28 Cb 0.54 -1.79 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 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 1.21 0.61 0.00 2.89 0.00 0.12 -5.04 105.19 104.97 2e5s n GLY 29 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.16 3.92 -4.68 1.61 2.85 -1.11 -4.94 115.26 112.75 2e5s n ASN 30 Ca 0.00 0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 54.02 2e5s n ASN 30 Cb 0.07 0.42 -0.04 0.00 1.24 0.00 0.00 39.78 41.47 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e5s n ALA 32 N 3.78 2.36 0.27 0.00 0.00 -1.26 -4.38 120.51 121.28 2e5s n ALA 32 Ca 0.17 -0.51 0.16 0.00 0.00 0.00 0.00 53.44 53.26 2e5s n ALA 32 Cb 0.30 -0.42 0.55 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.06 0.00 3.08 -1.90 -3.48 114.38 109.03 2e5s h ARG 33 Ca -0.09 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.26 2e5s h ARG 33 Cb 0.99 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.90 2e5s h ARG 33 CO 0.01 0.00 -0.89 0.41 -1.07 0.00 0.00 179.97 178.42 2e5s n GLY 34 N 0.31 -2.44 0.08 0.04 0.00 -1.26 0.24 105.19 102.15 2e5s n GLY 34 Ca 0.01 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.21 2e5s n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2e5s n GLU 35 N -4.02 0.05 -0.02 1.61 0.28 -1.26 0.65 120.64 117.93 2e5s n GLU 35 Ca -0.05 0.48 -0.00 0.00 -0.16 0.00 0.00 57.16 57.43 2e5s n GLU 35 Cb 0.62 -1.83 -0.00 0.00 1.43 0.00 0.00 31.44 31.66 2e5s n GLU 35 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2e5s h THR 36 N 0.00 0.00 -0.03 3.84 1.35 -1.89 -3.37 112.91 112.81 2e5s h THR 36 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2e5s h THR 36 Cb 0.31 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 2e5s h THR 36 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 2e5s n ASP 37 N -3.14 0.40 -4.75 5.36 2.03 0.14 -4.82 116.55 111.77 2e5s n ASP 37 Ca -0.01 -1.41 -0.27 0.00 0.52 0.00 0.00 54.79 53.63 2e5s n ASP 37 Cb 0.03 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s n ARG 39 N -0.16 2.19 -4.79 0.00 0.00 -1.26 -4.75 116.66 107.89 2e5s n ARG 39 Ca -0.09 -1.83 -0.33 0.00 -0.00 0.00 0.00 57.85 55.60 2e5s n ARG 39 Cb 0.54 -1.43 -0.14 0.00 -0.00 0.00 0.00 32.46 31.44 2e5s n ARG 39 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2e5s s PHE 40 N -1.41 2.79 -0.77 2.89 0.08 -1.26 -4.76 117.98 115.54 2e5s s PHE 40 Ca 0.36 -0.48 -0.26 0.00 0.12 0.00 0.00 56.93 56.67 2e5s s PHE 40 Cb 0.19 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2e5s s PHE 40 CO 0.26 -0.08 1.52 0.00 -0.10 0.00 0.00 175.22 176.82 2e5s s ALA 41 N 0.02 2.49 -0.25 5.36 0.00 -1.03 -4.46 121.76 123.90 2e5s s ALA 41 Ca -0.04 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2e5s s ALA 41 Cb -0.14 -4.34 -0.03 0.00 0.00 0.00 0.00 23.12 18.60 2e5s s ALA 41 CO 0.04 -3.64 1.76 -1.01 0.00 0.00 0.00 175.76 172.91 2e5s s HIS 42 N 6.86 1.86 -1.08 0.00 0.09 -1.26 -4.43 115.29 117.33 2e5s s HIS 42 Ca 0.48 0.52 -0.23 0.00 -0.00 0.00 0.00 55.06 55.83 2e5s s HIS 42 Cb -0.08 -4.06 -0.07 0.00 -0.00 0.00 0.00 32.58 28.37 2e5s s HIS 42 CO 0.11 -3.18 1.94 -1.25 -0.00 0.00 0.00 174.74 172.35 2e5s s PRO 43 N 5.21 2.52 0.08 8.40 0.04 -1.26 -4.75 135.00 145.24 2e5s s PRO 43 Ca 0.78 -0.85 0.05 0.00 0.04 0.00 0.00 61.00 61.03 2e5s s PRO 43 Cb -0.25 -5.18 0.28 0.00 0.04 0.00 0.00 34.50 29.38 2e5s s PRO 43 CO 0.32 -3.76 1.14 0.00 0.04 0.00 0.00 177.00 174.74 2e5s n ALA 44 N 14.23 0.97 0.75 8.56 0.00 -1.26 -0.08 120.51 143.68 2e5s n ALA 44 Ca 0.43 0.05 0.09 0.00 0.00 0.00 0.00 53.44 54.01 2e5s n ALA 44 Cb 0.47 -1.04 0.27 0.00 0.00 0.00 0.00 19.45 19.15 2e5s n ALA 44 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2e5s n ASP 45 N -1.67 2.36 -3.95 0.00 5.68 -1.26 -4.93 116.55 112.77 2e5s n ASP 45 Ca -0.00 -1.89 -0.27 0.00 -0.50 0.00 0.00 54.79 52.13 2e5s n ASP 45 Cb 0.03 -0.22 -0.08 0.00 -1.14 0.00 0.00 41.12 39.71 2e5s n ASP 45 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2e5s n SER 46 N 0.78 0.26 -3.15 -1.12 7.64 0.89 -4.83 113.62 114.08 2e5s n SER 46 Ca 0.16 -1.02 -0.06 0.00 1.01 0.00 0.00 58.87 58.97 2e5s n SER 46 Cb 0.41 -1.27 0.02 0.00 -1.01 0.00 0.00 64.21 62.36 2e5s n SER 46 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2e5s s THR 47 N -3.81 0.00 -1.33 0.44 -1.32 -1.26 -4.98 115.64 103.38 2e5s s THR 47 Ca 0.15 -0.78 -0.06 0.00 -1.21 0.00 0.00 61.69 59.79 2e5s s THR 47 Cb -0.09 -2.89 0.01 0.00 -1.51 0.00 0.00 72.50 68.02 2e5s s THR 47 CO 0.81 0.00 0.86 0.23 -2.21 0.00 0.00 174.62 174.30 2e5s n MET 48 N -0.62 -6.09 -4.39 7.08 2.81 -1.26 -4.96 117.12 109.69 2e5s n MET 48 Ca -0.05 0.80 -0.30 0.00 -1.81 0.00 0.00 57.70 56.33 2e5s n MET 48 Cb 0.60 -5.58 -0.11 0.00 -0.71 0.00 0.00 33.22 27.42 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 3.07 -0.21 2.02 1.01 -1.26 -4.65 121.20 117.95 2e5s s ILE 49 Ca 0.42 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 2e5s s ILE 49 Cb -0.19 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.91 2e5s s ILE 49 CO 0.53 0.19 -0.10 -1.81 0.00 0.00 0.00 174.94 173.75 2e5s s ASP 50 N -1.91 3.93 0.00 3.58 1.11 -1.26 -4.97 116.67 117.15 2e5s s ASP 50 Ca 0.18 -0.57 0.15 0.00 0.18 0.00 0.00 52.55 52.49 2e5s s ASP 50 Cb -0.11 -1.64 0.87 0.00 1.07 0.00 0.00 42.92 43.11 2e5s s ASP 50 CO 0.10 -0.03 1.34 0.35 1.18 0.00 0.00 175.17 178.10 2e5s n THR 51 N 4.72 0.00 -0.10 -1.27 -2.24 -1.26 0.20 114.28 114.33 2e5s n THR 51 Ca -0.19 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 2e5s n THR 51 Cb 0.50 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 68.08 2e5s n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2e5s n SER 52 N -0.85 1.80 0.00 3.42 2.88 -1.26 -4.75 113.62 114.86 2e5s n SER 52 Ca 0.11 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2e5s n SER 52 Cb 0.05 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e5s n ASP 53 N -3.25 4.33 -2.19 -3.46 8.00 -1.12 -5.05 116.55 113.82 2e5s n ASP 53 Ca -0.41 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 54.96 2e5s n ASP 53 Cb 1.02 0.43 0.04 0.00 -0.02 0.00 0.00 41.12 42.60 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 -1.80 -4.00 -4.24 -2.24 5.15 0.53 -4.90 115.26 103.76 2e5s n ASN 54 Ca 0.00 -0.30 -0.21 0.00 -0.60 0.00 0.00 54.58 53.47 2e5s n ASN 54 Cb 0.43 -2.94 -0.12 0.00 -0.53 0.00 0.00 39.78 36.62 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 1.45 -0.00 -0.44 -4.23 -1.26 -0.35 115.64 107.62 2e5s s THR 55 Ca 0.27 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 2e5s s THR 55 Cb -0.12 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 2e5s s THR 55 CO 0.39 -0.16 -0.18 0.68 -0.54 0.00 0.00 174.62 174.81 2e5s s VAL 56 N -1.30 2.77 0.75 2.29 -7.23 0.06 -4.28 120.40 113.45 2e5s s VAL 56 Ca 0.03 -0.99 -0.13 0.00 -1.81 0.00 0.00 61.98 59.08 2e5s s VAL 56 Cb -0.10 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.79 2e5s s VAL 56 CO 0.03 0.48 1.15 -0.89 -0.31 0.00 0.00 175.10 175.56 2e5s s THR 57 N -0.80 2.69 -0.05 5.32 2.01 -1.26 -1.35 115.64 122.20 2e5s s THR 57 Ca 0.13 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.48 2e5s s THR 57 Cb -0.10 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 2e5s s THR 57 CO 0.02 -0.22 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.82 2e5s s VAL 58 N -2.34 1.81 -0.03 3.82 1.01 0.39 -3.57 120.40 121.49 2e5s s VAL 58 Ca 0.69 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2e5s s VAL 58 Cb -0.24 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2e5s s VAL 58 CO 0.48 0.51 1.28 0.00 0.00 0.00 0.00 175.10 177.37 2e5s h MET 60 N 7.58 -0.05 0.13 0.00 4.05 -1.99 -3.09 114.93 121.56 2e5s h MET 60 Ca -0.36 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.08 2e5s h MET 60 Cb 1.17 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 2e5s h MET 60 CO 0.89 0.58 -0.46 0.22 0.23 0.00 0.00 176.91 178.36 2e5s h ASP 61 N -0.75 -1.39 -0.77 1.39 3.58 -1.92 -2.23 116.42 114.33 2e5s h ASP 61 Ca -0.01 0.14 0.16 0.00 0.42 0.00 0.00 57.03 57.75 2e5s h ASP 61 Cb 0.65 0.51 -0.15 0.00 1.72 0.00 0.00 39.33 42.06 2e5s h ASP 61 CO 0.01 -0.50 -0.18 0.22 -2.88 0.00 0.00 179.24 175.92 2e5s h TYR 62 N -0.68 -0.38 -0.90 0.28 3.20 -1.70 0.34 116.97 117.12 2e5s h TYR 62 Ca -0.01 0.07 0.23 0.00 3.14 0.00 0.00 58.73 62.16 2e5s h TYR 62 Cb 0.67 0.29 -0.13 0.00 1.54 0.00 0.00 36.73 39.10 2e5s h TYR 62 CO -0.43 -0.33 0.40 0.82 -1.64 0.00 0.00 178.16 176.98 2e5s h ILE 63 N 0.01 0.46 0.00 1.81 1.08 -1.32 0.91 117.51 120.46 2e5s h ILE 63 Ca 0.37 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.68 2e5s h ILE 63 Cb 0.58 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2e5s h ILE 63 CO -0.79 0.07 -0.13 0.11 -0.69 0.00 0.00 178.15 176.72 2e5s h LYS 64 N 0.39 0.00 0.00 2.37 1.57 -0.02 -3.46 116.57 117.42 2e5s h LYS 64 Ca 0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2e5s h LYS 64 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2e5s h LYS 64 CO -0.54 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 178.89 2e5s n GLY 65 N -0.72 1.59 2.88 3.86 0.00 0.32 -5.07 105.19 108.05 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 1.09 0.00 0.00 0.00 173.32 174.41 2e5s s ARG 66 N 0.00 1.28 -0.44 1.61 1.70 -1.22 -4.93 118.95 116.94 2e5s s ARG 66 Ca 0.00 -1.05 -0.06 0.00 -0.47 0.00 0.00 55.73 54.15 2e5s s ARG 66 Cb 0.00 -2.48 0.11 0.00 -0.57 0.00 0.00 34.95 32.02 2e5s s ARG 66 CO 0.00 -0.73 0.28 0.00 -1.08 0.00 0.00 175.30 173.77 2e5s n MET 68 N 4.77 2.54 -1.53 0.00 0.00 -1.26 -4.89 117.12 116.75 2e5s n MET 68 Ca -0.06 -2.51 -0.38 0.00 0.00 0.00 0.00 57.70 54.76 2e5s n MET 68 Cb 0.41 -1.58 -0.07 0.00 0.00 0.00 0.00 33.22 31.98 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 -0.54 0.74 -1.20 2.12 1.74 -1.26 -4.76 116.66 113.51 2e5s n ARG 69 Ca 0.16 0.01 -0.48 0.00 -0.77 0.00 0.00 57.85 56.77 2e5s n ARG 69 Cb 0.69 -2.84 -0.07 0.00 -1.02 0.00 0.00 32.46 29.22 2e5s n ARG 69 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2e5s n GLU 70 N 8.83 0.00 -3.61 5.56 4.71 -1.26 0.35 120.64 135.22 2e5s n GLU 70 Ca 0.46 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 57.38 2e5s n GLU 70 Cb 0.38 -1.08 0.04 0.00 -1.01 0.00 0.00 31.44 29.77 2e5s n GLU 70 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2e5s n LYS 71 N 3.31 -3.43 -1.89 3.49 5.02 -1.26 -4.88 118.16 118.51 2e5s n LYS 71 Ca 0.25 0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 56.75 2e5s n LYS 71 Cb -0.04 -5.02 -0.03 0.00 -0.02 0.00 0.00 35.03 29.92 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e5s n LYS 73 N 3.72 0.85 -3.51 0.00 -0.00 -1.26 -5.06 118.16 112.89 2e5s n LYS 73 Ca 0.13 -2.13 -0.30 0.00 -0.00 0.00 0.00 58.31 56.00 2e5s n LYS 73 Cb 0.38 -1.13 -0.04 0.00 -0.00 0.00 0.00 35.03 34.24 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 -1.88 3.46 0.14 5.58 1.51 -1.26 -5.05 117.35 119.85 2e5s s TYR 74 Ca 0.23 0.64 -0.31 0.00 -1.01 0.00 0.00 57.07 56.63 2e5s s TYR 74 Cb 0.21 -2.09 -0.08 0.00 -0.11 0.00 0.00 41.96 39.89 2e5s s TYR 74 CO 0.00 0.31 1.32 0.12 -1.11 0.00 0.00 175.55 176.19 2e5s s PHE 75 N -1.85 3.29 -0.41 2.71 2.19 -1.23 -4.80 117.98 117.88 2e5s s PHE 75 Ca 0.43 1.13 -0.10 0.00 0.33 0.00 0.00 56.93 58.72 2e5s s PHE 75 Cb -0.11 -3.60 0.06 0.00 -1.31 0.00 0.00 43.02 38.06 2e5s s PHE 75 CO 0.26 -1.97 0.25 -1.01 1.83 0.00 0.00 175.22 174.58 2e5s s HIS 76 N 0.66 3.30 0.94 10.12 3.76 -1.26 -2.99 115.29 129.82 2e5s s HIS 76 Ca 0.60 -1.33 -0.12 0.00 -0.15 0.00 0.00 55.06 54.06 2e5s s HIS 76 Cb -0.35 -2.83 0.15 0.00 1.11 0.00 0.00 32.58 30.66 2e5s s HIS 76 CO 0.33 -0.79 1.09 -1.25 -0.85 0.00 0.00 174.74 173.27 2e5s s PRO 77 N 1.48 0.90 1.17 8.40 0.04 -1.26 -5.05 135.00 140.68 2e5s s PRO 77 Ca 0.03 0.69 -0.20 0.00 0.04 0.00 0.00 61.00 61.56 2e5s s PRO 77 Cb -0.22 -1.78 0.29 0.00 0.04 0.00 0.00 34.50 32.83 2e5s s PRO 77 CO 0.04 -2.45 1.04 -0.35 0.04 0.00 0.00 177.00 175.32 2e5s n PRO 78 N -4.01 -3.05 0.30 0.56 -0.04 -1.26 -4.71 135.00 122.79 2e5s n PRO 78 Ca 0.06 -1.67 -0.12 0.00 -0.04 0.00 0.00 63.50 61.73 2e5s n PRO 78 Cb 0.56 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.71 -0.82 -1.00 0.55 0.00 -1.98 0.14 119.26 113.44 2e5s h ALA 79 Ca -0.39 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 54.70 2e5s h ALA 79 Cb 1.20 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 19.14 2e5s h ALA 79 CO 0.26 -0.76 0.53 1.12 0.00 0.00 0.00 179.25 180.39 2e5s h HIS 80 N -1.19 0.83 0.01 0.00 2.07 -1.97 0.11 115.15 115.02 2e5s h HIS 80 Ca -0.08 0.04 -0.03 0.00 -2.85 0.00 0.00 60.37 57.45 2e5s h HIS 80 Cb 0.62 -0.20 0.00 0.00 2.57 0.00 0.00 27.41 30.40 2e5s h HIS 80 CO 0.00 -0.32 -0.11 -0.07 -3.07 0.00 0.00 177.93 174.36 2e5s h LEU 81 N 0.17 0.08 -1.51 6.12 3.38 -1.92 -3.25 115.31 118.38 2e5s h LEU 81 Ca 0.77 -0.86 0.48 0.00 0.09 0.00 0.00 57.88 58.36 2e5s h LEU 81 Cb 1.89 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 42.50 2e5s h LEU 81 CO -0.69 0.94 1.02 0.00 0.09 0.00 0.00 178.44 179.80 2e5s n GLN 82 N -4.59 -0.02 0.10 1.13 6.02 0.48 0.23 117.38 120.72 2e5s n GLN 82 Ca -0.10 1.11 -0.23 0.00 -0.01 0.00 0.00 57.00 57.77 2e5s n GLN 82 Cb 0.47 -2.31 -0.13 0.00 1.02 0.00 0.00 30.24 29.28 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 1.26 -0.03 -1.01 -1.58 0.00 -1.51 -3.12 119.26 113.27 2e5s h ALA 83 Ca 0.84 -0.78 0.24 0.00 0.00 0.00 0.00 54.91 55.21 2e5s h ALA 83 Cb 3.00 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 20.80 2e5s h ALA 83 CO -0.27 0.69 0.63 0.87 0.00 0.00 0.00 179.25 181.17 2e5s h LYS 84 N 0.27 0.53 0.11 0.00 6.56 0.28 0.35 116.57 124.67 2e5s h LYS 84 Ca -0.20 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.36 2e5s h LYS 84 Cb 1.94 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 33.49 2e5s h LYS 84 CO 0.24 0.35 -0.05 0.82 -2.06 0.00 0.00 179.45 178.75 2e5s h ILE 85 N 0.54 1.00 0.49 1.86 5.03 -1.55 -3.19 117.51 121.69 2e5s h ILE 85 Ca 0.60 -1.29 -0.01 0.00 -0.12 0.00 0.00 64.86 64.03 2e5s h ILE 85 Cb 1.24 1.72 -0.02 0.00 -3.03 0.00 0.00 36.82 36.73 2e5s h ILE 85 CO -0.36 0.27 -0.44 0.11 -0.68 0.00 0.00 178.15 177.05 2e5s h LYS 86 N -0.84 -0.90 -1.38 2.37 1.57 -1.28 -1.63 116.57 114.48 2e5s h LYS 86 Ca -0.02 0.06 0.44 0.00 -1.87 0.00 0.00 60.65 59.27 2e5s h LYS 86 Cb 0.56 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 32.96 2e5s h LYS 86 CO 0.03 -0.60 0.91 0.00 -0.57 0.00 0.00 179.45 179.21 2e5s h ALA 87 N -0.67 2.86 -0.08 3.86 0.00 -0.48 0.71 119.26 125.46 2e5s h ALA 87 Ca -0.05 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2e5s h ALA 87 Cb 0.81 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2e5s h ALA 87 CO -0.04 -1.47 -0.42 0.00 0.00 0.00 0.00 179.25 177.33 2e5s h ALA 88 N 1.53 0.15 0.63 0.00 0.00 -1.32 0.69 119.26 120.94 2e5s h ALA 88 Ca 0.82 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2e5s h ALA 88 Cb 2.66 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 20.45 2e5s h ALA 88 CO -0.36 0.28 -0.30 1.96 0.00 0.00 0.00 179.25 180.83 2e5s h GLN 89 N -0.05 -0.82 0.39 0.00 1.08 0.11 -3.18 115.11 112.65 2e5s h GLN 89 Ca -0.03 0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2e5s h GLN 89 Cb 1.07 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2e5s h GLN 89 CO 0.09 -0.50 -0.19 0.45 -0.95 0.00 0.00 178.83 177.73 2e5s h HIS 90 N -1.08 -0.49 -3.27 2.96 3.86 -0.97 -3.39 115.15 112.78 2e5s h HIS 90 Ca -0.09 -0.01 -0.74 0.00 -1.16 0.00 0.00 60.37 58.37 2e5s h HIS 90 Cb 0.70 0.16 -0.28 0.00 1.06 0.00 0.00 27.41 29.05 2e5s h HIS 90 CO 0.00 -0.18 -0.30 -0.65 0.86 0.00 0.00 177.93 177.66 2e5s s GLN 91 N -5.03 2.74 -0.17 2.45 -1.52 0.23 -4.86 119.66 113.50 2e5s s GLN 91 Ca -0.15 -1.82 -0.04 0.00 -1.95 0.00 0.00 55.36 51.40 2e5s s GLN 91 Cb 0.03 -4.09 -0.09 0.00 -0.22 0.00 0.00 33.01 28.64 2e5s s GLN 91 CO 0.56 -1.25 -0.19 0.00 -0.25 0.00 0.00 175.29 174.16 2e5s n ALA 92 N 4.91 1.74 -2.95 6.09 0.00 -1.20 -3.91 120.51 125.19 2e5s n ALA 92 Ca -0.08 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 2e5s n ALA 92 Cb 0.41 0.19 0.04 0.00 0.00 0.00 0.00 19.45 20.09 2e5s n ALA 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2e5s n ASN 93 N -3.37 -3.49 -4.00 0.00 3.02 -1.26 -3.11 115.26 103.05 2e5s n ASN 93 Ca -0.32 -0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 53.62 2e5s n ASN 93 Cb 0.78 -2.84 0.01 0.00 -0.61 0.00 0.00 39.78 37.13 2e5s n ASN 93 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2e5s n GLN 94 N -2.74 -4.79 -0.88 3.52 -0.06 -1.26 -4.67 117.38 106.49 2e5s n GLN 94 Ca -0.05 0.53 -0.42 0.00 -2.00 0.00 0.00 57.00 55.06 2e5s n GLN 94 Cb 0.55 -5.35 -0.08 0.00 -4.06 0.00 0.00 30.24 21.30 2e5s n GLN 94 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2e5s n ALA 95 N -4.59 0.14 -2.05 1.69 0.00 -1.18 -4.89 120.51 109.63 2e5s n ALA 95 Ca 0.03 0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 2e5s n ALA 95 Cb 0.52 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 4.18 4.62 0.26 0.00 0.00 -1.26 -5.05 121.76 124.51 2e5s s ALA 96 Ca 0.84 -1.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 2e5s s ALA 96 Cb -1.05 -1.46 -0.14 0.00 0.00 0.00 0.00 23.12 20.47 2e5s s ALA 96 CO 0.46 -0.64 1.26 1.55 0.00 0.00 0.00 175.76 178.40 2e5s n VAL 97 N -2.07 1.37 -0.21 0.00 3.14 -1.26 -5.17 118.33 114.13 2e5s n VAL 97 Ca 0.12 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 2e5s n VAL 97 Cb 0.61 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 2e5s n VAL 97 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37