#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 -0.25 0.20 1.61 0.15 -1.26 -5.19 113.70 108.96 2e5s s SER 2 Ca 0.00 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 2e5s s SER 2 Cb 0.00 0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2e5s s SER 2 CO 0.00 -0.37 0.37 -0.94 1.20 0.00 0.00 173.24 173.50 2e5s s SER 3 N -2.01 -0.04 0.04 5.45 1.04 -1.26 -5.18 113.70 111.74 2e5s s SER 3 Ca 0.06 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.57 2e5s s SER 3 Cb -0.01 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 2e5s s SER 3 CO -0.05 -0.99 0.10 -0.83 0.98 0.00 0.00 173.24 172.45 2e5s s GLY 4 N -2.98 0.17 0.30 7.32 0.00 -1.26 -5.17 107.32 105.70 2e5s s GLY 4 Ca 0.19 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.39 2e5s s GLY 4 CO 0.03 -0.68 0.11 -0.45 0.00 0.00 0.00 173.10 172.11 2e5s s SER 5 N -2.12 1.71 0.24 1.64 0.15 -1.26 -5.17 113.70 108.89 2e5s s SER 5 Ca -0.05 -1.46 -0.21 0.00 0.70 0.00 0.00 55.95 54.93 2e5s s SER 5 Cb -0.01 0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2e5s s SER 5 CO -0.05 -0.77 0.95 -0.55 1.20 0.00 0.00 173.24 174.02 2e5s s SER 6 N -3.40 -0.02 -0.05 5.45 0.15 -1.26 -5.19 113.70 109.37 2e5s s SER 6 Ca 0.35 -0.78 -0.31 0.00 0.70 0.00 0.00 55.95 55.91 2e5s s SER 6 Cb 0.07 0.61 0.13 0.00 -1.71 0.00 0.00 66.02 65.12 2e5s s SER 6 CO 0.15 -1.20 1.35 -0.83 1.20 0.00 0.00 173.24 173.91 2e5s s GLY 7 N -3.24 -0.45 -0.04 9.45 0.00 -1.26 -5.17 107.32 106.62 2e5s s GLY 7 Ca 0.19 0.81 -0.02 0.00 0.00 0.00 0.00 44.72 45.69 2e5s s GLY 7 CO 0.07 0.15 0.08 -0.45 0.00 0.00 0.00 173.10 172.94 2e5s s SER 8 N -2.98 -0.04 -0.01 1.64 0.15 -1.26 -5.16 113.70 106.04 2e5s s SER 8 Ca 0.14 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.93 2e5s s SER 8 Cb 0.06 0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2e5s s SER 8 CO -0.05 -0.09 0.05 0.28 1.20 0.00 0.00 173.24 174.63 2e5s s THR 9 N 0.66 0.05 0.43 6.45 -1.32 -1.26 -5.17 115.64 115.48 2e5s s THR 9 Ca -0.05 -0.39 0.07 0.00 -1.21 0.00 0.00 61.69 60.11 2e5s s THR 9 Cb -0.07 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.68 2e5s s THR 9 CO -0.03 -0.21 0.25 0.00 -2.21 0.00 0.00 174.62 172.42 2e5s s ALA 10 N -0.66 3.82 -0.06 11.08 0.00 -1.26 -5.01 121.76 129.68 2e5s s ALA 10 Ca -0.07 -1.90 -0.03 0.00 0.00 0.00 0.00 51.96 49.96 2e5s s ALA 10 Cb -0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.42 2e5s s ALA 10 CO 0.00 -0.21 2.71 0.25 0.00 0.00 0.00 175.76 178.50 2e5s n THR 11 N -1.38 2.57 -3.72 0.00 -2.24 -1.26 -4.75 114.28 103.50 2e5s n THR 11 Ca -0.00 -1.19 -0.19 0.00 -2.27 0.00 0.00 64.05 60.39 2e5s n THR 11 Cb 0.64 -1.69 -0.17 0.00 -2.10 0.00 0.00 70.33 67.01 2e5s n THR 11 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2e5s s GLN 12 N 0.10 -0.01 -0.56 -0.78 -0.21 -1.26 -5.11 119.66 111.83 2e5s s GLN 12 Ca 0.34 0.30 -0.17 0.00 0.02 0.00 0.00 55.36 55.85 2e5s s GLN 12 Cb 0.18 -0.47 0.12 0.00 1.00 0.00 0.00 33.01 33.84 2e5s s GLN 12 CO -0.02 -0.28 0.59 0.15 -2.12 0.00 0.00 175.29 173.61 2e5s s LYS 13 N 1.82 3.01 0.01 2.91 3.01 -1.26 -5.03 119.74 124.21 2e5s s LYS 13 Ca 0.01 -1.54 -0.30 0.00 -1.01 0.00 0.00 55.97 53.13 2e5s s LYS 13 Cb -0.12 -4.29 -0.08 0.00 -1.01 0.00 0.00 37.83 32.33 2e5s s LYS 13 CO -0.03 -1.42 1.94 -0.51 0.51 0.00 0.00 175.35 175.84 2e5s s LEU 14 N 2.07 4.36 -0.08 3.17 2.01 -1.26 -4.85 118.68 124.10 2e5s s LEU 14 Ca 0.07 2.56 -0.07 0.00 0.01 0.00 0.00 54.13 56.69 2e5s s LEU 14 Cb -0.27 -3.53 -0.04 0.00 0.01 0.00 0.00 46.19 42.36 2e5s s LEU 14 CO 0.04 -1.10 -0.16 -0.11 1.01 0.00 0.00 176.35 176.04 2e5s n LEU 15 N 7.75 1.19 -4.59 1.79 7.94 -1.26 -4.94 117.00 124.88 2e5s n LEU 15 Ca 0.20 0.19 -0.42 0.00 -1.11 0.00 0.00 56.01 54.87 2e5s n LEU 15 Cb 0.42 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 2e5s n LEU 15 CO 0.67 -0.14 1.41 -0.13 -1.11 0.00 0.00 177.39 178.09 2e5s s ARG 16 N -2.32 3.34 -0.29 1.96 0.52 -1.26 -4.87 118.95 116.03 2e5s s ARG 16 Ca -0.15 1.08 -0.00 0.00 -0.52 0.00 0.00 55.73 56.14 2e5s s ARG 16 Cb 0.04 -4.15 0.23 0.00 0.52 0.00 0.00 34.95 31.59 2e5s s ARG 16 CO 0.21 -1.86 1.90 -2.37 0.02 0.00 0.00 175.30 173.20 2e5s n THR 17 N 7.23 2.62 -1.72 0.02 5.66 -1.26 -4.57 114.28 122.26 2e5s n THR 17 Ca 0.19 -1.48 -0.35 0.00 -3.05 0.00 0.00 64.05 59.37 2e5s n THR 17 Cb 0.48 -1.23 0.01 0.00 -1.55 0.00 0.00 70.33 68.04 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 0.25 7.15 -3.92 1.09 5.68 -1.26 -4.91 116.55 120.62 2e5s n ASP 18 Ca 0.29 -3.60 -0.10 0.00 -0.50 0.00 0.00 54.79 50.88 2e5s n ASP 18 Cb 0.67 -1.12 -0.11 0.00 -1.14 0.00 0.00 41.12 39.42 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2e5s s LYS 19 N -3.19 0.36 -0.06 0.11 -2.85 -1.26 -0.01 119.74 112.84 2e5s s LYS 19 Ca 0.55 -0.46 -0.00 0.00 -1.00 0.00 0.00 55.97 55.06 2e5s s LYS 19 Cb 0.42 0.14 0.03 0.00 -2.06 0.00 0.00 37.83 36.35 2e5s s LYS 19 CO -0.32 -0.07 -0.02 -0.51 0.10 0.00 0.00 175.35 174.53 2e5s s LEU 20 N -1.28 0.97 -0.27 2.77 1.43 -0.15 -4.83 118.68 117.33 2e5s s LEU 20 Ca -0.14 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2e5s s LEU 20 Cb -0.08 -0.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 2e5s s LEU 20 CO 0.00 -0.12 1.52 -1.61 0.23 0.00 0.00 176.35 176.37 2e5s s GLU 21 N 1.41 3.78 0.17 1.70 2.02 -1.26 -1.10 118.70 125.42 2e5s s GLU 21 Ca -0.04 1.47 -0.31 0.00 0.02 0.00 0.00 54.97 56.11 2e5s s GLU 21 Cb -0.13 -4.00 -0.10 0.00 0.10 0.00 0.00 34.13 30.00 2e5s s GLU 21 CO -0.03 -1.31 1.51 0.08 0.02 0.00 0.00 175.26 175.53 2e5s s VAL 22 N 5.10 2.79 0.58 2.63 1.01 -0.73 -2.76 120.40 129.02 2e5s s VAL 22 Ca 0.67 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 63.04 2e5s s VAL 22 Cb -0.21 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2e5s s VAL 22 CO 0.28 0.05 1.19 0.00 0.00 0.00 0.00 175.10 176.63 2e5s n ARG 24 N -1.54 0.73 0.23 0.00 5.12 -1.26 -4.15 116.66 115.79 2e5s n ARG 24 Ca 0.13 0.24 -0.15 0.00 -1.93 0.00 0.00 57.85 56.15 2e5s n ARG 24 Cb 0.50 -1.68 -0.08 0.00 -1.16 0.00 0.00 32.46 30.04 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 0.05 -0.57 -0.94 5.56 3.07 -1.95 -3.12 114.58 116.68 2e5s h GLU 25 Ca -0.44 0.04 0.24 0.00 -0.50 0.00 0.00 59.36 58.69 2e5s h GLU 25 Cb 2.01 0.13 -0.17 0.00 -0.84 0.00 0.00 28.75 29.88 2e5s h GLU 25 CO 0.05 -0.28 -0.02 0.35 -1.40 0.00 0.00 179.01 177.72 2e5s h PHE 26 N -0.83 -0.12 -0.52 4.33 3.57 -1.86 0.21 116.94 121.72 2e5s h PHE 26 Ca -0.06 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.61 2e5s h PHE 26 Cb 0.56 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.39 2e5s h PHE 26 CO 0.00 -0.39 -0.33 1.96 -2.23 0.00 0.00 178.31 177.32 2e5s h GLN 27 N 0.03 -0.19 -0.91 1.11 4.20 -1.70 0.51 115.11 118.16 2e5s h GLN 27 Ca 0.54 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 59.15 2e5s h GLN 27 Cb 1.04 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.80 2e5s h GLN 27 CO -0.88 -0.13 0.15 2.89 -0.67 0.00 0.00 178.83 180.19 2e5s n ARG 28 N -5.43 2.10 -3.95 1.46 1.85 0.57 -4.87 116.66 108.39 2e5s n ARG 28 Ca 0.03 -1.34 -0.27 0.00 -1.00 0.00 0.00 57.85 55.27 2e5s n ARG 28 Cb 0.35 -1.67 -0.01 0.00 -1.05 0.00 0.00 32.46 30.08 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 0.02 -0.31 0.05 2.89 0.00 0.18 -4.87 105.19 103.16 2e5s n GLY 29 Ca 0.19 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.92 2.89 -4.68 1.61 2.85 -0.17 -4.96 115.26 109.89 2e5s n ASN 30 Ca -0.20 -0.04 -0.45 0.00 -0.11 0.00 0.00 54.58 53.78 2e5s n ASN 30 Cb 0.63 0.22 -0.04 0.00 1.24 0.00 0.00 39.78 41.83 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 5.42 2.69 0.19 0.00 0.00 -1.26 -4.29 120.51 123.25 2e5s n ALA 32 Ca 0.19 -0.56 0.03 0.00 0.00 0.00 0.00 53.44 53.10 2e5s n ALA 32 Cb 0.32 -0.69 0.36 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.88 0.00 3.08 -1.89 -3.48 114.38 110.21 2e5s h ARG 33 Ca -0.04 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.23 2e5s h ARG 33 Cb 1.06 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.04 2e5s h ARG 33 CO 0.00 0.38 -0.42 0.41 -1.07 0.00 0.00 179.97 179.27 2e5s n GLY 34 N -0.33 -2.03 0.00 0.04 0.00 -1.26 -0.42 105.19 101.18 2e5s n GLY 34 Ca -0.02 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.76 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 0.01 -0.08 1.61 4.07 -1.26 0.77 120.64 122.52 2e5s n GLU 35 Ca -0.01 0.33 -0.23 0.00 -0.06 0.00 0.00 57.16 57.19 2e5s n GLU 35 Cb 0.38 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 30.14 2e5s n GLU 35 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2e5s n THR 36 N -1.49 1.59 1.29 6.31 -2.24 -1.26 -4.30 114.28 114.19 2e5s n THR 36 Ca 0.02 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 2e5s n THR 36 Cb 0.11 -1.92 0.34 0.00 -2.10 0.00 0.00 70.33 66.77 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 -4.13 2.12 -4.24 3.42 2.03 0.44 -4.85 116.55 111.34 2e5s n ASP 37 Ca -0.36 -1.70 -0.32 0.00 0.52 0.00 0.00 54.79 52.93 2e5s n ASP 37 Cb 0.81 0.01 -0.16 0.00 -0.72 0.00 0.00 41.12 41.06 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 6.89 0.76 -6.92 0.00 0.11 -1.86 -3.41 114.38 109.93 2e5s h ARG 39 Ca -0.24 -0.32 -0.55 0.00 0.10 0.00 0.00 59.98 58.98 2e5s h ARG 39 Cb 1.22 -0.03 0.11 0.00 1.11 0.00 0.00 29.97 32.39 2e5s h ARG 39 CO 0.51 0.93 0.71 1.19 0.10 0.00 0.00 179.97 183.40 2e5s n PHE 40 N -4.10 2.78 -2.39 4.08 3.72 -1.26 -4.93 117.46 115.36 2e5s n PHE 40 Ca -0.00 0.46 -0.42 0.00 -0.05 0.00 0.00 57.45 57.44 2e5s n PHE 40 Cb 0.44 -2.49 -0.03 0.00 -0.94 0.00 0.00 39.48 36.47 2e5s n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2e5s s ALA 41 N -1.14 3.47 -0.51 4.37 0.00 -1.11 -4.74 121.76 122.11 2e5s s ALA 41 Ca 0.56 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 53.16 2e5s s ALA 41 Cb -0.48 -3.50 0.12 0.00 0.00 0.00 0.00 23.12 19.26 2e5s s ALA 41 CO 0.62 -0.66 0.43 -1.01 0.00 0.00 0.00 175.76 175.14 2e5s s HIS 42 N 1.76 3.32 -0.48 0.00 3.76 -1.26 -2.86 115.29 119.53 2e5s s HIS 42 Ca 0.59 -1.48 -0.27 0.00 -0.15 0.00 0.00 55.06 53.74 2e5s s HIS 42 Cb -0.28 -3.63 -0.02 0.00 1.11 0.00 0.00 32.58 29.77 2e5s s HIS 42 CO 0.26 -0.99 1.78 -1.25 -0.85 0.00 0.00 174.74 173.69 2e5s s PRO 43 N 1.51 3.02 -0.18 8.40 0.04 -1.26 -4.80 135.00 141.74 2e5s s PRO 43 Ca 0.04 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.10 2e5s s PRO 43 Cb -0.28 -4.27 -0.15 0.00 0.04 0.00 0.00 34.50 29.84 2e5s s PRO 43 CO 0.02 -2.25 -0.09 0.00 0.04 0.00 0.00 177.00 174.72 2e5s n ALA 44 N 11.31 1.60 -0.80 8.56 0.00 -1.26 -4.95 120.51 134.97 2e5s n ALA 44 Ca 0.21 -0.89 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 2e5s n ALA 44 Cb 0.49 0.01 0.26 0.00 0.00 0.00 0.00 19.45 20.21 2e5s n ALA 44 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2e5s s ASP 45 N -5.49 0.25 0.29 0.00 2.15 -1.26 -4.88 116.67 107.73 2e5s s ASP 45 Ca -0.19 0.77 -0.15 0.00 0.43 0.00 0.00 52.55 53.41 2e5s s ASP 45 Cb 0.06 -1.10 -0.11 0.00 -0.30 0.00 0.00 42.92 41.47 2e5s s ASP 45 CO 0.51 -4.55 0.06 -0.24 -0.17 0.00 0.00 175.17 170.78 2e5s n SER 46 N -5.07 -2.05 -2.99 -0.34 2.88 -1.26 -4.32 113.62 100.47 2e5s n SER 46 Ca 0.12 0.58 -0.40 0.00 -1.33 0.00 0.00 58.87 57.85 2e5s n SER 46 Cb 0.59 -0.63 -0.09 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.72 0.00 -2.63 2.46 -1.04 -1.26 -4.79 114.28 106.30 2e5s n THR 47 Ca 0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.01 2e5s n THR 47 Cb 0.29 -0.35 0.04 0.00 -1.82 0.00 0.00 70.33 68.48 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 5.35 2.07 -4.57 -2.82 2.81 -1.26 -5.08 117.12 113.62 2e5s n MET 48 Ca 0.40 -3.65 -0.31 0.00 -1.81 0.00 0.00 57.70 52.33 2e5s n MET 48 Cb -0.02 -1.70 -0.12 0.00 -0.71 0.00 0.00 33.22 30.67 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 -3.93 2.93 -0.34 2.02 1.01 -1.26 -4.77 121.20 116.85 2e5s s ILE 49 Ca 0.33 -1.18 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 2e5s s ILE 49 Cb 0.37 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 2e5s s ILE 49 CO -0.02 0.30 0.35 -0.62 0.00 0.00 0.00 174.94 174.95 2e5s s ASP 50 N -1.56 6.16 0.00 3.58 -1.08 -1.25 -4.93 116.67 117.59 2e5s s ASP 50 Ca 0.16 -0.25 0.09 0.00 -0.52 0.00 0.00 52.55 52.03 2e5s s ASP 50 Cb -0.11 -2.19 0.55 0.00 -1.46 0.00 0.00 42.92 39.71 2e5s s ASP 50 CO 0.07 -0.32 1.15 0.35 0.52 0.00 0.00 175.17 176.93 2e5s n THR 51 N 5.22 0.00 -0.12 1.71 -2.24 -1.26 0.71 114.28 118.31 2e5s n THR 51 Ca -0.10 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 2e5s n THR 51 Cb 0.49 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.69 1.92 -0.65 3.42 2.88 -1.26 -4.74 113.62 114.50 2e5s n SER 52 Ca 0.07 0.38 0.03 0.00 -1.33 0.00 0.00 58.87 58.02 2e5s n SER 52 Cb 0.03 -0.85 0.05 0.00 -0.75 0.00 0.00 64.21 62.68 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 -4.36 0.78 -3.97 -3.46 8.00 -1.21 -5.01 116.55 107.32 2e5s n ASP 53 Ca -0.40 -2.35 -0.26 0.00 0.71 0.00 0.00 54.79 52.50 2e5s n ASP 53 Cb 0.74 -0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 41.47 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 -0.24 0.66 -4.10 -2.24 5.15 0.22 -4.86 115.26 109.84 2e5s n ASN 54 Ca 0.06 -1.03 -0.19 0.00 -0.60 0.00 0.00 54.58 52.81 2e5s n ASN 54 Cb 0.79 -1.29 -0.14 0.00 -0.53 0.00 0.00 39.78 38.61 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 -4.06 0.97 -0.02 -0.44 -4.23 -1.26 -1.77 115.64 104.83 2e5s s THR 55 Ca 0.04 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2e5s s THR 55 Cb -0.02 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2e5s s THR 55 CO 0.81 0.06 0.01 0.68 -0.54 0.00 0.00 174.62 175.64 2e5s s VAL 56 N -0.67 4.29 -0.18 2.29 -7.23 -0.26 -3.93 120.40 114.72 2e5s s VAL 56 Ca 0.02 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.42 2e5s s VAL 56 Cb -0.07 -2.90 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 2e5s s VAL 56 CO 0.01 0.43 1.01 -0.89 -0.31 0.00 0.00 175.10 175.34 2e5s s THR 57 N -1.06 4.74 -0.01 5.32 2.01 -1.26 -0.97 115.64 124.41 2e5s s THR 57 Ca 0.19 1.99 -0.27 0.00 0.31 0.00 0.00 61.69 63.91 2e5s s THR 57 Cb -0.12 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2e5s s THR 57 CO 0.09 -0.09 0.86 -0.69 -0.69 0.00 0.00 174.62 174.10 2e5s s VAL 58 N 2.64 4.90 -0.53 3.82 1.01 0.98 -1.05 120.40 132.18 2e5s s VAL 58 Ca 0.45 1.80 -0.28 0.00 0.00 0.00 0.00 61.98 63.96 2e5s s VAL 58 Cb -0.16 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2e5s s VAL 58 CO 0.11 0.22 1.48 0.00 0.00 0.00 0.00 175.10 176.91 2e5s h MET 60 N 11.49 -0.33 -0.38 0.00 4.05 -1.94 -2.59 114.93 125.24 2e5s h MET 60 Ca -0.27 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.22 2e5s h MET 60 Cb 1.11 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.90 2e5s h MET 60 CO 1.16 -0.22 -0.52 0.22 0.23 0.00 0.00 176.91 177.78 2e5s h ASP 61 N -0.34 -1.72 -0.68 1.39 3.58 -1.90 -0.94 116.42 115.81 2e5s h ASP 61 Ca 0.04 0.23 0.14 0.00 0.42 0.00 0.00 57.03 57.86 2e5s h ASP 61 Cb 0.37 0.71 -0.13 0.00 1.72 0.00 0.00 39.33 42.01 2e5s h ASP 61 CO -0.13 -0.40 -0.17 0.22 -2.88 0.00 0.00 179.24 175.88 2e5s h TYR 62 N -0.39 -0.36 -0.81 0.28 3.20 -1.67 0.12 116.97 117.33 2e5s h TYR 62 Ca 0.09 0.06 0.20 0.00 3.14 0.00 0.00 58.73 62.22 2e5s h TYR 62 Cb 0.60 0.27 -0.13 0.00 1.54 0.00 0.00 36.73 39.01 2e5s h TYR 62 CO -0.68 -0.29 0.17 0.82 -1.64 0.00 0.00 178.16 176.53 2e5s h ILE 63 N 0.00 0.39 0.00 1.81 1.08 -0.78 0.91 117.51 120.91 2e5s h ILE 63 Ca 0.33 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.72 2e5s h ILE 63 Cb 0.50 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 2e5s h ILE 63 CO -0.71 0.04 -0.03 0.11 -0.69 0.00 0.00 178.15 176.87 2e5s h LYS 64 N 0.21 0.00 0.00 2.37 1.57 -0.42 -3.46 116.57 116.84 2e5s h LYS 64 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2e5s h LYS 64 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2e5s h LYS 64 CO -0.61 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 178.71 2e5s n GLY 65 N -1.21 2.10 2.83 3.86 0.00 0.31 -5.06 105.19 108.02 2e5s n GLY 65 Ca -0.03 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 0.50 0.00 0.00 0.00 173.32 173.82 2e5s s ARG 66 N -0.02 1.08 -0.47 1.61 1.81 -1.22 -4.95 118.95 116.79 2e5s s ARG 66 Ca 0.00 -1.00 -0.05 0.00 -1.72 0.00 0.00 55.73 52.96 2e5s s ARG 66 Cb 0.00 -2.34 0.12 0.00 -0.45 0.00 0.00 34.95 32.28 2e5s s ARG 66 CO 0.00 -0.78 0.30 0.00 -0.68 0.00 0.00 175.30 174.13 2e5s n MET 68 N 4.44 1.07 -1.05 0.00 2.81 -1.26 -4.91 117.12 118.22 2e5s n MET 68 Ca -0.01 -2.86 -0.33 0.00 -1.81 0.00 0.00 57.70 52.68 2e5s n MET 68 Cb 0.41 -1.10 0.13 0.00 -0.71 0.00 0.00 33.22 31.95 2e5s n MET 68 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2e5s n ARG 69 N -0.60 0.10 -1.83 0.03 1.74 -1.26 -4.84 116.66 110.00 2e5s n ARG 69 Ca 0.15 0.11 -0.39 0.00 -0.77 0.00 0.00 57.85 56.95 2e5s n ARG 69 Cb 0.84 -2.42 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 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 -4.16 2.69 -1.24 5.56 2.12 -1.26 -2.95 118.70 119.46 2e5s s GLU 70 Ca 0.72 1.22 -0.01 0.00 0.36 0.00 0.00 54.97 57.26 2e5s s GLU 70 Cb -0.28 -4.40 -0.01 0.00 0.26 0.00 0.00 34.13 29.70 2e5s s GLU 70 CO 0.52 -2.62 0.83 1.63 -0.54 0.00 0.00 175.26 175.08 2e5s n LYS 71 N 8.90 -5.18 -1.54 4.30 4.76 -1.26 -4.80 118.16 123.35 2e5s n LYS 71 Ca 0.27 0.72 -0.61 0.00 -2.87 0.00 0.00 58.31 55.82 2e5s n LYS 71 Cb 0.51 -5.44 -0.08 0.00 -1.84 0.00 0.00 35.03 28.17 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 2.00 2.65 -4.38 0.00 2.85 -1.26 -5.07 118.16 114.95 2e5s n LYS 73 Ca 0.22 -3.86 -0.21 0.00 -1.05 0.00 0.00 58.31 53.41 2e5s n LYS 73 Cb 0.05 -1.93 -0.10 0.00 -0.65 0.00 0.00 35.03 32.40 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 -3.65 1.93 0.57 5.58 2.02 -1.26 -4.99 117.35 117.54 2e5s s TYR 74 Ca 0.39 -0.47 -0.17 0.00 -0.37 0.00 0.00 57.07 56.45 2e5s s TYR 74 Cb 0.38 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 2e5s s TYR 74 CO -0.01 0.46 1.06 0.12 -1.57 0.00 0.00 175.55 175.61 2e5s s PHE 75 N -2.57 2.94 -0.29 2.71 5.36 -0.21 -4.77 117.98 121.14 2e5s s PHE 75 Ca 0.23 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 57.76 2e5s s PHE 75 Cb -0.03 -3.05 0.08 0.00 -0.34 0.00 0.00 43.02 39.67 2e5s s PHE 75 CO 0.09 -1.11 -0.03 -1.01 -1.46 0.00 0.00 175.22 171.70 2e5s s HIS 76 N -2.27 3.33 0.88 10.12 3.76 -1.26 -2.43 115.29 127.42 2e5s s HIS 76 Ca 0.65 -2.54 -0.11 0.00 -0.15 0.00 0.00 55.06 52.91 2e5s s HIS 76 Cb -0.17 -2.31 0.12 0.00 1.11 0.00 0.00 32.58 31.33 2e5s s HIS 76 CO 0.32 -0.90 1.09 -1.25 -0.85 0.00 0.00 174.74 173.15 2e5s s PRO 77 N 1.07 1.39 1.22 8.40 0.04 -1.26 -5.05 135.00 140.80 2e5s s PRO 77 Ca 0.01 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.71 2e5s s PRO 77 Cb -0.19 -1.82 0.30 0.00 0.04 0.00 0.00 34.50 32.83 2e5s s PRO 77 CO -0.07 -2.16 1.09 -0.35 0.04 0.00 0.00 177.00 175.54 2e5s n PRO 78 N -3.84 -3.13 0.36 0.56 -0.04 -1.26 -4.66 135.00 123.00 2e5s n PRO 78 Ca 0.07 -1.74 -0.14 0.00 -0.04 0.00 0.00 63.50 61.65 2e5s n PRO 78 Cb 0.55 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.74 -1.05 -0.92 0.55 0.00 -1.97 0.24 119.26 113.37 2e5s h ALA 79 Ca -0.41 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 54.55 2e5s h ALA 79 Cb 1.25 0.36 -0.16 0.00 0.00 0.00 0.00 17.79 19.23 2e5s h ALA 79 CO 0.27 -0.98 0.13 1.12 0.00 0.00 0.00 179.25 179.79 2e5s h HIS 80 N -1.11 0.14 0.16 0.00 2.07 -1.98 -0.24 115.15 114.20 2e5s h HIS 80 Ca -0.10 0.06 -0.01 0.00 -2.85 0.00 0.00 60.37 57.48 2e5s h HIS 80 Cb 0.71 0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.78 2e5s h HIS 80 CO 0.03 -0.34 -0.08 -0.07 -3.07 0.00 0.00 177.93 174.40 2e5s h LEU 81 N 0.09 -0.18 -1.00 6.12 3.38 -1.91 -3.08 115.31 118.73 2e5s h LEU 81 Ca 0.58 -0.35 0.39 0.00 0.09 0.00 0.00 57.88 58.58 2e5s h LEU 81 Cb 1.20 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 2e5s h LEU 81 CO -0.79 0.32 0.49 1.56 0.09 0.00 0.00 178.44 180.12 2e5s h GLN 82 N -0.75 0.06 -0.49 1.13 4.20 0.12 1.17 115.11 120.54 2e5s h GLN 82 Ca -0.02 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 2e5s h GLN 82 Cb 0.52 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2e5s h GLN 82 CO 0.04 0.04 -0.18 0.00 -0.67 0.00 0.00 178.83 178.06 2e5s h ALA 83 N 1.97 0.68 -0.15 3.87 0.00 -1.27 -2.66 119.26 121.70 2e5s h ALA 83 Ca 0.80 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 55.35 2e5s h ALA 83 Cb 2.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2e5s h ALA 83 CO -0.76 0.64 0.08 0.87 0.00 0.00 0.00 179.25 180.08 2e5s h LYS 84 N 0.83 0.16 -0.20 0.00 1.57 0.14 -2.50 116.57 116.58 2e5s h LYS 84 Ca 0.12 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2e5s h LYS 84 Cb 0.75 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2e5s h LYS 84 CO 0.06 0.11 0.04 0.82 -0.57 0.00 0.00 179.45 179.91 2e5s h ILE 85 N 0.17 0.91 -0.75 1.86 2.04 -1.27 -2.46 117.51 118.02 2e5s h ILE 85 Ca 0.06 -0.04 0.15 0.00 1.00 0.00 0.00 64.86 66.03 2e5s h ILE 85 Cb 0.01 0.78 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 2e5s h ILE 85 CO -0.04 0.02 0.25 0.11 0.00 0.00 0.00 178.15 178.49 2e5s h LYS 86 N 0.13 0.35 -0.96 2.37 1.57 -1.27 -1.09 116.57 117.67 2e5s h LYS 86 Ca 0.09 -0.02 0.24 0.00 -1.87 0.00 0.00 60.65 59.09 2e5s h LYS 86 Cb 0.08 -0.08 -0.18 0.00 0.08 0.00 0.00 32.23 32.14 2e5s h LYS 86 CO -0.12 0.23 -0.06 0.00 -0.57 0.00 0.00 179.45 178.93 2e5s h ALA 87 N 1.58 0.97 -0.02 3.86 0.00 -0.99 0.31 119.26 124.98 2e5s h ALA 87 Ca 0.42 0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.68 2e5s h ALA 87 Cb 0.68 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2e5s h ALA 87 CO -0.46 -0.50 -0.03 0.00 0.00 0.00 0.00 179.25 178.26 2e5s h ALA 88 N 1.95 -0.01 0.28 0.00 0.00 -1.27 -3.16 119.26 117.04 2e5s h ALA 88 Ca 0.54 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2e5s h ALA 88 Cb 1.02 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2e5s h ALA 88 CO -0.92 -0.52 -0.43 1.96 0.00 0.00 0.00 179.25 179.33 2e5s h GLN 89 N -0.05 -0.72 -7.11 0.00 1.08 -0.42 -3.43 115.11 104.46 2e5s h GLN 89 Ca 0.02 0.05 -0.46 0.00 -1.45 0.00 0.00 58.65 56.81 2e5s h GLN 89 Cb 0.08 0.16 0.22 0.00 -0.05 0.00 0.00 27.48 27.89 2e5s h GLN 89 CO -0.05 -0.48 -0.06 1.58 -0.95 0.00 0.00 178.83 178.87 2e5s n HIS 90 N -4.99 -0.87 -3.04 2.96 -0.00 -0.54 -4.93 115.22 103.81 2e5s n HIS 90 Ca -0.09 -0.02 -0.44 0.00 0.46 0.00 0.00 57.72 57.64 2e5s n HIS 90 Cb 0.37 -1.75 -0.05 0.00 -0.12 0.00 0.00 29.99 28.44 2e5s n HIS 90 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2e5s s GLN 91 N -4.35 3.16 0.07 1.57 -0.44 -1.26 -4.91 119.66 113.49 2e5s s GLN 91 Ca 0.67 -0.80 0.06 0.00 -2.50 0.00 0.00 55.36 52.79 2e5s s GLN 91 Cb -0.24 -4.13 -0.03 0.00 -1.64 0.00 0.00 33.01 26.97 2e5s s GLN 91 CO 0.64 -1.40 -0.17 0.00 0.50 0.00 0.00 175.29 174.85 2e5s s ALA 92 N 3.12 1.47 -0.21 1.58 0.00 -1.26 -5.03 121.76 121.43 2e5s s ALA 92 Ca 0.19 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2e5s s ALA 92 Cb -0.18 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 22.82 2e5s s ALA 92 CO 0.13 0.28 2.27 -1.71 0.00 0.00 0.00 175.76 176.72 2e5s n ASN 93 N 1.43 6.03 -0.07 0.00 2.85 -1.26 -4.33 115.26 119.91 2e5s n ASN 93 Ca -0.19 -2.84 -0.11 0.00 -0.11 0.00 0.00 54.58 51.33 2e5s n ASN 93 Cb 0.54 -1.14 -0.08 0.00 1.24 0.00 0.00 39.78 40.34 2e5s n ASN 93 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2e5s h GLN 94 N 1.68 0.00 -4.90 1.20 5.75 -1.98 -3.48 115.11 113.38 2e5s h GLN 94 Ca 0.21 0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 58.43 2e5s h GLN 94 Cb 0.97 0.00 0.13 0.00 1.07 0.00 0.00 27.48 29.65 2e5s h GLN 94 CO 0.51 0.64 -0.60 0.00 -2.65 0.00 0.00 178.83 176.72 2e5s n ALA 95 N -2.90 -1.48 -2.82 3.38 0.00 -1.26 -5.02 120.51 110.40 2e5s n ALA 95 Ca -0.11 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 2e5s n ALA 95 Cb 0.37 -2.60 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 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 -3.28 3.62 -0.47 0.00 0.00 -1.26 -5.09 121.76 115.27 2e5s s ALA 96 Ca 0.11 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.81 2e5s s ALA 96 Cb -0.05 -1.38 0.15 0.00 0.00 0.00 0.00 23.12 21.84 2e5s s ALA 96 CO 0.58 0.39 0.29 0.08 0.00 0.00 0.00 175.76 177.10 2e5s s VAL 97 N -1.92 1.43 0.00 0.00 1.01 -1.26 -5.14 120.40 114.52 2e5s s VAL 97 Ca 0.32 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.50 2e5s s VAL 97 Cb -0.09 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2e5s s VAL 97 CO 0.25 -0.96 0.00 0.00 0.00 0.00 0.00 175.10 174.38