#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 -0.17 0.33 1.61 0.15 -1.26 -5.19 113.70 109.17 2e5s s SER 2 Ca 0.00 0.02 -0.11 0.00 0.70 0.00 0.00 55.95 56.56 2e5s s SER 2 Cb 0.00 0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.50 2e5s s SER 2 CO 0.00 -0.27 0.61 -0.44 1.20 0.00 0.00 173.24 174.33 2e5s s SER 3 N -2.10 0.24 -0.04 5.45 0.01 -1.26 -5.19 113.70 110.82 2e5s s SER 3 Ca 0.08 -1.14 -0.14 0.00 1.31 0.00 0.00 55.95 56.06 2e5s s SER 3 Cb -0.01 0.71 0.05 0.00 0.21 0.00 0.00 66.02 66.98 2e5s s SER 3 CO -0.05 -1.39 0.64 0.61 0.41 0.00 0.00 173.24 173.46 2e5s n GLY 4 N -0.50 0.30 3.44 3.44 0.00 -1.26 -5.19 105.19 105.42 2e5s n GLY 4 Ca -0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2e5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5s s SER 5 N -2.40 -0.52 0.14 1.61 0.15 -1.26 -5.18 113.70 106.23 2e5s s SER 5 Ca 0.15 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.78 2e5s s SER 5 Cb -0.00 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2e5s s SER 5 CO -0.01 -0.98 -0.10 -0.44 1.20 0.00 0.00 173.24 172.91 2e5s s SER 6 N -2.77 1.68 0.00 5.45 0.01 -1.26 -5.03 113.70 111.78 2e5s s SER 6 Ca 0.02 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2e5s s SER 6 Cb -0.01 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2e5s s SER 6 CO -0.12 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2e5s n GLY 7 N -0.15 0.69 2.73 3.44 0.00 -1.26 -5.15 105.19 105.49 2e5s n GLY 7 Ca -0.11 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 2e5s n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5s s SER 8 N -0.18 1.54 0.02 1.61 0.15 -1.26 -5.14 113.70 110.43 2e5s s SER 8 Ca 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2e5s s SER 8 Cb 0.00 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 2e5s s SER 8 CO 0.00 -0.33 -0.03 -0.89 1.20 0.00 0.00 173.24 173.19 2e5s s THR 9 N 2.28 0.17 -0.04 6.45 2.01 -1.26 -5.15 115.64 120.10 2e5s s THR 9 Ca 0.06 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 2e5s s THR 9 Cb -0.16 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.11 2e5s s THR 9 CO -0.11 -0.36 0.03 0.00 -0.69 0.00 0.00 174.62 173.49 2e5s s ALA 10 N -1.12 0.36 -0.35 7.40 0.00 -1.26 -5.12 121.76 121.67 2e5s s ALA 10 Ca -0.11 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 2e5s s ALA 10 Cb -0.08 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2e5s s ALA 10 CO -0.01 -0.36 0.16 0.99 0.00 0.00 0.00 175.76 176.55 2e5s s THR 11 N 1.77 4.31 -0.34 0.00 2.01 -1.26 -4.96 115.64 117.17 2e5s s THR 11 Ca 0.00 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.23 2e5s s THR 11 Cb -0.12 -3.36 0.45 0.00 0.01 0.00 0.00 72.50 69.47 2e5s s THR 11 CO -0.03 -0.14 1.20 0.00 -0.69 0.00 0.00 174.62 174.96 2e5s n GLN 12 N 4.93 3.54 -1.08 4.92 6.02 -1.26 -5.07 117.38 129.39 2e5s n GLN 12 Ca -0.13 -4.22 -0.42 0.00 -0.01 0.00 0.00 57.00 52.22 2e5s n GLN 12 Cb 0.46 -2.27 -0.06 0.00 1.02 0.00 0.00 30.24 29.39 2e5s n GLN 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2e5s n LYS 13 N -0.66 0.00 -3.89 -1.09 5.02 -1.26 0.94 118.16 117.22 2e5s n LYS 13 Ca 0.43 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.43 2e5s n LYS 13 Cb 0.88 -1.07 0.03 0.00 -0.02 0.00 0.00 35.03 34.86 2e5s n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2e5s n LEU 14 N 1.16 -2.63 -4.44 -0.35 4.77 -1.26 -4.83 117.00 109.42 2e5s n LEU 14 Ca 0.15 -0.77 -0.48 0.00 -0.03 0.00 0.00 56.01 54.88 2e5s n LEU 14 Cb 0.05 -2.59 -0.03 0.00 -2.33 0.00 0.00 43.42 38.52 2e5s n LEU 14 CO 0.44 0.48 0.15 0.00 -1.33 0.00 0.00 177.39 177.13 2e5s n LEU 15 N -4.69 -0.56 -4.79 2.23 -0.00 0.27 -4.98 117.00 104.49 2e5s n LEU 15 Ca 0.02 1.14 -0.31 0.00 -0.00 0.00 0.00 56.01 56.86 2e5s n LEU 15 Cb 0.54 -1.02 -0.06 0.00 -0.00 0.00 0.00 43.42 42.88 2e5s n LEU 15 CO 0.75 -2.60 -0.20 -0.13 -0.00 0.00 0.00 177.39 175.21 2e5s s ARG 16 N -1.03 2.20 -0.01 1.47 1.81 -1.26 -5.06 118.95 117.07 2e5s s ARG 16 Ca 0.65 -2.31 0.10 0.00 -1.72 0.00 0.00 55.73 52.45 2e5s s ARG 16 Cb -0.91 -1.65 -0.16 0.00 -0.45 0.00 0.00 34.95 31.79 2e5s s ARG 16 CO 0.57 -0.40 0.25 -2.37 -0.68 0.00 0.00 175.30 172.67 2e5s n THR 17 N -1.35 0.00 -0.63 0.02 5.66 -1.26 -4.53 114.28 112.19 2e5s n THR 17 Ca -0.15 -0.24 -0.17 0.00 -3.05 0.00 0.00 64.05 60.43 2e5s n THR 17 Cb 0.66 0.33 0.08 0.00 -1.55 0.00 0.00 70.33 69.86 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 -1.80 4.88 -4.26 1.09 9.92 -1.26 -4.88 116.55 120.23 2e5s n ASP 18 Ca -0.02 -3.09 -0.26 0.00 -0.53 0.00 0.00 54.79 50.89 2e5s n ASP 18 Cb 0.26 -0.85 -0.14 0.00 -0.64 0.00 0.00 41.12 39.75 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2e5s s LYS 19 N -2.13 1.47 -0.07 -1.24 -2.85 -1.26 0.22 119.74 113.88 2e5s s LYS 19 Ca 0.37 -0.96 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 2e5s s LYS 19 Cb 0.30 -1.58 0.01 0.00 -2.06 0.00 0.00 37.83 34.50 2e5s s LYS 19 CO 0.04 0.41 -0.14 -0.51 0.10 0.00 0.00 175.35 175.24 2e5s s LEU 20 N -1.15 1.72 -0.40 2.77 1.43 0.06 -4.93 118.68 118.17 2e5s s LEU 20 Ca 0.08 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 2e5s s LEU 20 Cb -0.09 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.24 2e5s s LEU 20 CO 0.02 0.06 1.39 -1.61 0.23 0.00 0.00 176.35 176.43 2e5s s GLU 21 N 0.58 3.61 0.17 1.70 2.02 -1.26 -1.05 118.70 124.47 2e5s s GLU 21 Ca -0.14 0.95 -0.31 0.00 0.02 0.00 0.00 54.97 55.48 2e5s s GLU 21 Cb -0.16 -4.01 -0.10 0.00 0.10 0.00 0.00 34.13 29.97 2e5s s GLU 21 CO 0.04 -1.52 1.54 0.08 0.02 0.00 0.00 175.26 175.43 2e5s s VAL 22 N 5.29 2.67 0.63 2.63 1.01 -1.17 -2.69 120.40 128.77 2e5s s VAL 22 Ca 0.60 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 2e5s s VAL 22 Cb -0.14 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2e5s s VAL 22 CO 0.32 0.04 1.28 0.00 0.00 0.00 0.00 175.10 176.74 2e5s n ARG 24 N -1.78 0.69 0.17 0.00 1.74 -1.26 -4.19 116.66 112.03 2e5s n ARG 24 Ca 0.15 0.27 -0.07 0.00 -0.77 0.00 0.00 57.85 57.42 2e5s n ARG 24 Cb 0.48 -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 0.03 -0.45 -0.72 5.56 3.07 -1.97 -3.28 114.58 116.83 2e5s h GLU 25 Ca -0.36 0.03 0.18 0.00 -0.50 0.00 0.00 59.36 58.71 2e5s h GLU 25 Cb 2.03 0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 29.91 2e5s h GLU 25 CO 0.08 -0.30 -0.04 0.34 -1.40 0.00 0.00 179.01 177.69 2e5s n PHE 26 N -4.21 0.40 -0.36 4.33 7.35 -1.26 0.43 117.46 124.14 2e5s n PHE 26 Ca -0.06 0.87 -0.02 0.00 -0.76 0.00 0.00 57.45 57.48 2e5s n PHE 26 Cb 0.18 -1.01 0.02 0.00 0.35 0.00 0.00 39.48 39.03 2e5s n PHE 26 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2e5s n GLN 27 N -5.03 -0.24 0.12 -4.13 6.02 -1.24 0.55 117.38 113.44 2e5s n GLN 27 Ca 0.15 1.42 0.08 0.00 -0.01 0.00 0.00 57.00 58.64 2e5s n GLN 27 Cb 0.50 -2.10 0.03 0.00 1.02 0.00 0.00 30.24 29.69 2e5s n GLN 27 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2e5s h ARG 28 N 0.00 0.00 -0.22 -1.09 0.11 -0.18 -3.48 114.38 109.52 2e5s h ARG 28 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 2e5s h ARG 28 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 2e5s h ARG 28 CO -0.91 0.14 0.00 0.41 0.10 0.00 0.00 179.97 179.71 2e5s n GLY 29 N 1.21 0.65 0.00 0.08 0.00 0.19 -5.04 105.19 102.28 2e5s n GLY 29 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.11 4.26 -4.66 1.61 2.85 -1.17 -4.95 115.26 113.09 2e5s n ASN 30 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 2e5s n ASN 30 Cb 0.05 0.61 0.00 0.00 1.24 0.00 0.00 39.78 41.67 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 0.00 1.74 0.28 0.00 0.00 -1.26 -4.50 120.51 116.77 2e5s n ALA 32 Ca 0.07 -0.68 0.13 0.00 0.00 0.00 0.00 53.44 52.96 2e5s n ALA 32 Cb 0.37 0.05 0.82 0.00 0.00 0.00 0.00 19.45 20.69 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 0.00 0.00 3.08 -1.91 -3.48 114.38 112.07 2e5s h ARG 33 Ca -0.29 0.00 0.38 0.00 0.07 0.00 0.00 59.98 60.14 2e5s h ARG 33 Cb 1.62 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.58 2e5s h ARG 33 CO 0.01 0.05 -0.50 0.41 -1.07 0.00 0.00 179.97 178.87 2e5s n GLY 34 N -1.12 -1.86 0.48 0.04 0.00 -1.26 -0.57 105.19 100.89 2e5s n GLY 34 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.14 1.03 -0.01 1.61 2.13 -1.26 -0.53 120.64 119.46 2e5s n GLU 35 Ca 0.01 -0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.80 2e5s n GLU 35 Cb 0.63 -1.47 -0.01 0.00 0.27 0.00 0.00 31.44 30.86 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 -0.03 0.07 0.11 6.31 -2.24 -1.24 -4.76 114.28 112.49 2e5s n THR 36 Ca 0.00 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 2e5s n THR 36 Cb 0.24 -0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.18 0.37 -4.75 3.42 2.03 0.26 -5.00 116.55 110.70 2e5s n ASP 37 Ca -0.02 -0.69 -0.37 0.00 0.52 0.00 0.00 54.79 54.23 2e5s n ASP 37 Cb 0.53 0.76 -0.06 0.00 -0.72 0.00 0.00 41.12 41.62 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 6.27 0.49 -6.80 0.00 2.47 -1.95 -3.44 114.38 111.43 2e5s h ARG 39 Ca -0.43 -0.19 -0.51 0.00 -1.26 0.00 0.00 59.98 57.59 2e5s h ARG 39 Cb 1.18 -0.03 0.02 0.00 -1.65 0.00 0.00 29.97 29.50 2e5s h ARG 39 CO 0.72 0.72 0.50 -0.06 0.56 0.00 0.00 179.97 182.41 2e5s s PHE 40 N -4.47 3.50 0.16 3.04 0.08 -1.26 -4.91 117.98 114.12 2e5s s PHE 40 Ca -0.07 1.64 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 2e5s s PHE 40 Cb 0.14 -3.35 -0.07 0.00 -0.57 0.00 0.00 43.02 39.17 2e5s s PHE 40 CO 0.79 -0.76 1.11 0.00 -0.10 0.00 0.00 175.22 176.26 2e5s s ALA 41 N -1.06 3.37 -0.47 5.36 0.00 -1.09 -4.68 121.76 123.18 2e5s s ALA 41 Ca 0.46 0.81 -0.10 0.00 0.00 0.00 0.00 51.96 53.13 2e5s s ALA 41 Cb -0.33 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.55 2e5s s ALA 41 CO 0.42 -0.23 0.35 -1.01 0.00 0.00 0.00 175.76 175.29 2e5s s HIS 42 N -0.10 3.40 -0.21 0.00 3.76 -1.26 -2.68 115.29 118.20 2e5s s HIS 42 Ca 0.50 -1.79 -0.29 0.00 -0.15 0.00 0.00 55.06 53.33 2e5s s HIS 42 Cb -0.29 -3.48 -0.03 0.00 1.11 0.00 0.00 32.58 29.90 2e5s s HIS 42 CO 0.34 -0.98 1.61 -1.25 -0.85 0.00 0.00 174.74 173.61 2e5s s PRO 43 N 1.39 3.82 -0.19 8.40 0.04 -1.26 -4.86 135.00 142.34 2e5s s PRO 43 Ca 0.05 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 2e5s s PRO 43 Cb -0.26 -4.03 -0.10 0.00 0.04 0.00 0.00 34.50 30.15 2e5s s PRO 43 CO -0.00 -1.26 -0.20 0.00 0.04 0.00 0.00 177.00 175.57 2e5s n ALA 44 N 8.35 1.68 -0.44 8.56 0.00 -1.26 -5.00 120.51 132.41 2e5s n ALA 44 Ca 0.19 -0.77 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 2e5s n ALA 44 Cb 0.45 0.16 0.23 0.00 0.00 0.00 0.00 19.45 20.30 2e5s n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e5s n ASP 45 N -3.41 -2.99 -3.28 0.00 2.03 -1.26 -4.84 116.55 102.79 2e5s n ASP 45 Ca -0.35 -0.46 -0.30 0.00 0.52 0.00 0.00 54.79 54.21 2e5s n ASP 45 Cb 0.81 -1.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.21 2e5s n ASP 45 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2e5s n SER 46 N -3.87 -3.39 -4.38 1.67 7.64 -1.26 -4.39 113.62 105.63 2e5s n SER 46 Ca 0.06 0.41 -0.50 0.00 1.01 0.00 0.00 58.87 59.86 2e5s n SER 46 Cb 0.54 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 62.97 2e5s n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2e5s n THR 47 N -1.39 0.01 -2.48 0.44 -2.24 -1.26 -4.77 114.28 102.59 2e5s n THR 47 Ca 0.04 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2e5s n THR 47 Cb 0.39 -0.71 0.04 0.00 -2.10 0.00 0.00 70.33 67.95 2e5s n THR 47 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2e5s n MET 48 N 8.04 2.56 -4.52 -0.78 0.00 -1.26 -5.06 117.12 116.10 2e5s n MET 48 Ca 0.57 -3.80 -0.34 0.00 0.00 0.00 0.00 57.70 54.13 2e5s n MET 48 Cb 0.04 -1.90 -0.11 0.00 0.00 0.00 0.00 33.22 31.24 2e5s n MET 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2e5s s ILE 49 N -4.16 3.86 -0.47 1.12 1.01 -1.26 -4.74 121.20 116.56 2e5s s ILE 49 Ca 0.38 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 2e5s s ILE 49 Cb 0.36 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 40.24 2e5s s ILE 49 CO -0.00 0.57 1.05 -1.81 0.00 0.00 0.00 174.94 174.75 2e5s s ASP 50 N -0.50 6.57 0.00 3.58 1.01 -0.44 -4.87 116.67 122.02 2e5s s ASP 50 Ca 0.08 0.32 0.14 0.00 0.71 0.00 0.00 52.55 53.79 2e5s s ASP 50 Cb -0.12 -2.51 0.83 0.00 1.01 0.00 0.00 42.92 42.13 2e5s s ASP 50 CO 0.02 -1.18 1.30 0.35 0.21 0.00 0.00 175.17 175.87 2e5s n THR 51 N 6.68 0.00 -0.09 -1.27 -2.24 -1.26 0.18 114.28 116.28 2e5s n THR 51 Ca 0.10 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.64 2e5s n THR 51 Cb 0.49 -0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.83 1.97 -0.03 3.42 2.88 -1.26 -4.63 113.62 115.13 2e5s n SER 52 Ca 0.10 0.25 0.01 0.00 -1.33 0.00 0.00 58.87 57.90 2e5s n SER 52 Cb 0.05 -0.81 0.01 0.00 -0.75 0.00 0.00 64.21 62.71 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 -3.96 1.25 -4.02 -3.46 9.92 -1.17 -5.01 116.55 110.11 2e5s n ASP 53 Ca -0.41 -1.74 -0.29 0.00 -0.53 0.00 0.00 54.79 51.82 2e5s n ASP 53 Cb 0.88 -0.04 -0.02 0.00 -0.64 0.00 0.00 41.12 41.30 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2e5s n ASN 54 N -0.38 -1.70 -4.18 -2.24 5.15 0.47 -4.95 115.26 107.43 2e5s n ASN 54 Ca 0.01 -0.98 -0.19 0.00 -0.60 0.00 0.00 54.58 52.83 2e5s n ASN 54 Cb 0.39 -3.10 -0.10 0.00 -0.53 0.00 0.00 39.78 36.44 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 -3.68 0.53 0.10 -0.44 -4.23 -1.21 -3.02 115.64 103.69 2e5s s THR 55 Ca 0.29 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 2e5s s THR 55 Cb -0.15 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 2e5s s THR 55 CO 0.89 0.00 -0.13 0.68 -0.54 0.00 0.00 174.62 175.52 2e5s s VAL 56 N -3.60 1.17 0.61 2.29 -7.23 -0.22 -1.33 120.40 112.09 2e5s s VAL 56 Ca 0.35 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 58.81 2e5s s VAL 56 Cb 0.06 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2e5s s VAL 56 CO 0.15 -0.39 1.04 -0.89 -0.31 0.00 0.00 175.10 174.70 2e5s s THR 57 N -1.94 4.17 -0.10 5.32 2.01 -1.26 -0.76 115.64 123.08 2e5s s THR 57 Ca 0.05 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2e5s s THR 57 Cb -0.06 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2e5s s THR 57 CO 0.02 -0.74 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.43 2e5s s VAL 58 N -2.76 1.08 0.28 3.82 1.01 0.61 -3.89 120.40 120.55 2e5s s VAL 58 Ca 0.60 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2e5s s VAL 58 Cb -0.13 -1.06 -0.14 0.00 0.00 0.00 0.00 36.38 35.05 2e5s s VAL 58 CO 0.43 0.37 1.13 0.00 0.00 0.00 0.00 175.10 177.03 2e5s h MET 60 N 2.50 0.00 0.03 0.00 4.05 -1.96 -3.34 114.93 116.20 2e5s h MET 60 Ca -0.42 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.03 2e5s h MET 60 Cb 1.32 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.07 2e5s h MET 60 CO 0.64 0.44 -0.42 -0.44 0.23 0.00 0.00 176.91 177.35 2e5s h ASP 61 N -1.00 -1.28 -0.93 1.39 5.19 -1.92 -2.21 116.42 115.66 2e5s h ASP 61 Ca -0.08 0.15 0.17 0.00 -0.62 0.00 0.00 57.03 56.65 2e5s h ASP 61 Cb 0.65 0.49 -0.17 0.00 0.18 0.00 0.00 39.33 40.49 2e5s h ASP 61 CO -0.05 -0.47 -0.29 0.00 -3.12 0.00 0.00 179.24 175.32 2e5s n TYR 62 N -5.45 0.21 -0.35 4.55 9.36 -1.26 0.17 117.16 124.38 2e5s n TYR 62 Ca -0.06 1.14 0.14 0.00 3.32 0.00 0.00 57.90 62.43 2e5s n TYR 62 Cb 0.37 -0.96 0.33 0.00 -0.63 0.00 0.00 39.34 38.46 2e5s n TYR 62 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2e5s h ILE 63 N 0.00 0.68 0.00 2.97 1.08 -1.52 0.51 117.51 121.22 2e5s h ILE 63 Ca 0.40 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.59 2e5s h ILE 63 Cb 0.63 -0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.25 2e5s h ILE 63 CO -0.94 0.13 -0.12 0.11 -0.69 0.00 0.00 178.15 176.64 2e5s h LYS 64 N 0.73 0.00 0.00 2.37 1.79 0.18 -3.47 116.57 118.18 2e5s h LYS 64 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 2e5s h LYS 64 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 2e5s h LYS 64 CO -0.40 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.51 2e5s n GLY 65 N -0.87 2.14 2.80 3.86 0.00 0.18 -5.05 105.19 108.25 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 0.50 0.00 0.00 0.00 173.32 173.82 2e5s s ARG 66 N -0.15 0.92 -0.43 1.61 3.00 -1.24 -4.97 118.95 117.69 2e5s s ARG 66 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 55.73 54.54 2e5s s ARG 66 Cb 0.00 -2.26 0.12 0.00 0.00 0.00 0.00 34.95 32.80 2e5s s ARG 66 CO 0.00 -0.93 0.22 0.00 0.00 0.00 0.00 175.30 174.60 2e5s n MET 68 N 4.45 0.97 -0.62 0.00 0.00 -1.26 -4.92 117.12 115.74 2e5s n MET 68 Ca -0.01 -2.69 -0.31 0.00 0.00 0.00 0.00 57.70 54.69 2e5s n MET 68 Cb 0.41 -1.04 0.19 0.00 0.00 0.00 0.00 33.22 32.78 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 -0.58 -1.57 -2.07 2.12 1.74 -1.26 -4.81 116.66 110.24 2e5s n ARG 69 Ca 0.14 -0.42 -0.38 0.00 -0.77 0.00 0.00 57.85 56.42 2e5s n ARG 69 Cb 0.83 -1.98 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 -3.97 2.65 -1.22 5.56 -6.30 -1.26 -3.52 118.70 110.64 2e5s s GLU 70 Ca 0.62 0.48 -0.04 0.00 -2.50 0.00 0.00 54.97 53.53 2e5s s GLU 70 Cb -0.20 -4.44 -0.01 0.00 0.00 0.00 0.00 34.13 29.48 2e5s s GLU 70 CO 0.65 -2.76 0.80 1.63 0.02 0.00 0.00 175.26 175.59 2e5s n LYS 71 N 9.17 -4.07 -1.71 4.30 4.76 -1.26 -4.80 118.16 124.55 2e5s n LYS 71 Ca 0.21 0.67 -0.58 0.00 -2.87 0.00 0.00 58.31 55.75 2e5s n LYS 71 Cb 0.51 -5.22 -0.07 0.00 -1.84 0.00 0.00 35.03 28.41 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 5.32 3.23 -4.20 0.00 2.85 -1.26 -5.04 118.16 119.06 2e5s n LYS 73 Ca 0.27 -3.99 -0.24 0.00 -1.05 0.00 0.00 58.31 53.29 2e5s n LYS 73 Cb 0.12 -2.16 -0.06 0.00 -0.65 0.00 0.00 35.03 32.28 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 -3.54 2.91 0.16 5.58 1.51 -1.26 -5.09 117.35 117.61 2e5s s TYR 74 Ca 0.49 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 56.10 2e5s s TYR 74 Cb 0.41 -1.34 -0.08 0.00 -0.11 0.00 0.00 41.96 40.84 2e5s s TYR 74 CO 0.02 0.55 1.23 0.12 -1.11 0.00 0.00 175.55 176.37 2e5s s PHE 75 N -2.06 3.39 -0.34 2.71 2.19 -1.25 -4.81 117.98 117.80 2e5s s PHE 75 Ca 0.31 1.33 -0.06 0.00 0.33 0.00 0.00 56.93 58.83 2e5s s PHE 75 Cb -0.08 -3.48 0.04 0.00 -1.31 0.00 0.00 43.02 38.20 2e5s s PHE 75 CO 0.22 -1.43 0.11 -1.01 1.83 0.00 0.00 175.22 174.94 2e5s s HIS 76 N 0.28 3.27 0.87 10.12 3.76 -1.26 -2.77 115.29 129.56 2e5s s HIS 76 Ca 0.56 -1.47 -0.11 0.00 -0.15 0.00 0.00 55.06 53.88 2e5s s HIS 76 Cb -0.33 -2.35 0.11 0.00 1.11 0.00 0.00 32.58 31.12 2e5s s HIS 76 CO 0.35 -0.75 1.09 -1.25 -0.85 0.00 0.00 174.74 173.33 2e5s s PRO 77 N 1.39 1.50 1.24 8.40 0.04 -1.26 -5.05 135.00 141.26 2e5s s PRO 77 Ca -0.01 0.90 -0.21 0.00 0.04 0.00 0.00 61.00 61.72 2e5s s PRO 77 Cb -0.20 -1.83 0.31 0.00 0.04 0.00 0.00 34.50 32.82 2e5s s PRO 77 CO 0.02 -2.09 1.10 -0.35 0.04 0.00 0.00 177.00 175.72 2e5s n PRO 78 N -3.79 -3.18 0.25 0.56 -0.04 -1.26 -4.67 135.00 122.86 2e5s n PRO 78 Ca 0.07 -1.75 -0.10 0.00 -0.04 0.00 0.00 63.50 61.68 2e5s n PRO 78 Cb 0.55 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.76 -1.02 -0.99 0.55 0.00 -1.96 0.15 119.26 113.23 2e5s h ALA 79 Ca -0.41 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.57 2e5s h ALA 79 Cb 1.26 0.24 -0.19 0.00 0.00 0.00 0.00 17.79 19.11 2e5s h ALA 79 CO 0.27 -0.97 -0.21 -2.39 0.00 0.00 0.00 179.25 175.94 2e5s n HIS 80 N -3.93 0.39 0.19 0.00 -0.00 -1.26 -0.74 115.22 109.87 2e5s n HIS 80 Ca -0.08 1.21 -0.14 0.00 -0.00 0.00 0.00 57.72 58.71 2e5s n HIS 80 Cb 0.25 -1.10 -0.08 0.00 -0.00 0.00 0.00 29.99 29.06 2e5s n HIS 80 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2e5s h LEU 81 N 0.00 -0.42 -0.86 2.39 3.38 -1.92 -3.08 115.31 114.79 2e5s h LEU 81 Ca 0.49 -0.13 0.32 0.00 0.09 0.00 0.00 57.88 58.65 2e5s h LEU 81 Cb 0.79 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.49 2e5s h LEU 81 CO -1.01 -0.08 0.32 0.00 0.09 0.00 0.00 178.44 177.76 2e5s n GLN 82 N -5.18 -0.06 0.42 1.13 6.02 0.52 0.28 117.38 120.50 2e5s n GLN 82 Ca -0.10 1.23 -0.19 0.00 -0.01 0.00 0.00 57.00 57.93 2e5s n GLN 82 Cb 0.27 -2.11 -0.09 0.00 1.02 0.00 0.00 30.24 29.33 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 1.73 -1.03 -0.69 -1.58 0.00 -1.27 -1.23 119.26 115.19 2e5s h ALA 83 Ca 0.66 -0.23 0.25 0.00 0.00 0.00 0.00 54.91 55.60 2e5s h ALA 83 Cb 1.66 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 19.72 2e5s h ALA 83 CO -0.71 -1.08 0.24 1.63 0.00 0.00 0.00 179.25 179.33 2e5s n LYS 84 N -5.53 -0.05 -0.07 0.00 5.02 0.14 0.77 118.16 118.45 2e5s n LYS 84 Ca -0.15 0.98 -0.14 0.00 -2.02 0.00 0.00 58.31 56.99 2e5s n LYS 84 Cb 0.41 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 2e5s n LYS 84 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2e5s h ILE 85 N 0.00 1.74 -0.83 -0.18 5.03 -1.43 -3.34 117.51 118.50 2e5s h ILE 85 Ca 0.52 -2.26 0.20 0.00 -0.12 0.00 0.00 64.86 63.20 2e5s h ILE 85 Cb 1.30 3.27 -0.12 0.00 -3.03 0.00 0.00 36.82 38.23 2e5s h ILE 85 CO -0.58 0.58 0.27 0.11 -0.68 0.00 0.00 178.15 177.85 2e5s h LYS 86 N -0.98 0.30 -0.72 2.37 1.57 0.16 0.50 116.57 119.76 2e5s h LYS 86 Ca -0.00 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.92 2e5s h LYS 86 Cb 0.95 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.08 2e5s h LYS 86 CO 0.00 0.20 0.05 0.00 -0.57 0.00 0.00 179.45 179.12 2e5s h ALA 87 N 1.69 0.80 -0.12 3.86 0.00 -0.81 -0.92 119.26 123.76 2e5s h ALA 87 Ca 0.50 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.60 2e5s h ALA 87 Cb 0.93 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2e5s h ALA 87 CO -0.55 -0.40 -0.00 0.00 0.00 0.00 0.00 179.25 178.29 2e5s h ALA 88 N 1.66 0.16 -0.34 0.00 0.00 -1.05 -3.26 119.26 116.42 2e5s h ALA 88 Ca 0.40 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2e5s h ALA 88 Cb 0.69 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2e5s h ALA 88 CO -0.60 -0.14 -0.56 1.96 0.00 0.00 0.00 179.25 179.91 2e5s h GLN 89 N -0.06 -0.43 -6.86 0.00 1.08 -0.63 -3.40 115.11 104.80 2e5s h GLN 89 Ca 0.03 0.03 -0.53 0.00 -1.45 0.00 0.00 58.65 56.73 2e5s h GLN 89 Cb 0.37 0.10 0.07 0.00 -0.05 0.00 0.00 27.48 27.97 2e5s h GLN 89 CO 0.01 -0.29 0.71 -1.01 -0.95 0.00 0.00 178.83 177.30 2e5s s HIS 90 N -5.66 2.91 -0.07 2.96 3.76 -0.68 -4.95 115.29 113.56 2e5s s HIS 90 Ca -0.15 1.24 -0.30 0.00 -0.15 0.00 0.00 55.06 55.70 2e5s s HIS 90 Cb 0.08 -3.82 -0.03 0.00 1.11 0.00 0.00 32.58 29.93 2e5s s HIS 90 CO 0.61 -2.41 1.16 -0.65 -0.85 0.00 0.00 174.74 172.60 2e5s s GLN 91 N -1.50 4.37 0.05 1.40 -1.52 -1.26 -4.91 119.66 116.29 2e5s s GLN 91 Ca 0.53 1.61 -0.27 0.00 -1.95 0.00 0.00 55.36 55.28 2e5s s GLN 91 Cb -0.42 -3.55 0.09 0.00 -0.22 0.00 0.00 33.01 28.91 2e5s s GLN 91 CO 0.53 -0.42 1.20 0.00 -0.25 0.00 0.00 175.29 176.35 2e5s s ALA 92 N 2.15 -2.11 -0.52 6.09 0.00 -1.26 -5.12 121.76 120.99 2e5s s ALA 92 Ca 0.54 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.46 2e5s s ALA 92 Cb -0.23 0.70 0.11 0.00 0.00 0.00 0.00 23.12 23.70 2e5s s ALA 92 CO 0.21 -1.09 0.48 1.21 0.00 0.00 0.00 175.76 176.57 2e5s s ASN 93 N -3.42 6.18 -0.01 0.00 2.47 -1.26 -5.03 114.94 113.87 2e5s s ASN 93 Ca 0.22 -1.64 -0.01 0.00 0.42 0.00 0.00 52.86 51.85 2e5s s ASN 93 Cb 0.00 -2.21 0.01 0.00 -1.45 0.00 0.00 41.25 37.60 2e5s s ASN 93 CO 0.00 -0.81 0.03 -1.10 -3.72 0.00 0.00 177.10 171.51 2e5s s GLN 94 N 1.66 0.03 -0.24 0.43 -1.52 -1.26 -5.11 119.66 113.65 2e5s s GLN 94 Ca 0.04 0.07 -0.29 0.00 -1.95 0.00 0.00 55.36 53.23 2e5s s GLN 94 Cb -0.28 -0.02 -0.02 0.00 -0.22 0.00 0.00 33.01 32.47 2e5s s GLN 94 CO 0.04 -0.03 1.65 0.00 -0.25 0.00 0.00 175.29 176.71 2e5s s ALA 95 N 0.17 3.19 0.65 6.09 0.00 -1.26 -5.00 121.76 125.61 2e5s s ALA 95 Ca -0.01 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 2e5s s ALA 95 Cb -0.02 -3.89 0.06 0.00 0.00 0.00 0.00 23.12 19.28 2e5s s ALA 95 CO -0.01 -2.09 0.93 0.00 0.00 0.00 0.00 175.76 174.59 2e5s s ALA 96 N 5.54 3.48 0.17 0.00 0.00 -1.26 -5.11 121.76 124.59 2e5s s ALA 96 Ca 0.73 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2e5s s ALA 96 Cb -0.24 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 2e5s s ALA 96 CO 0.30 -1.14 -0.12 0.14 0.00 0.00 0.00 175.76 174.94 2e5s s VAL 97 N -3.07 3.05 -1.90 0.00 -7.23 -1.26 -5.32 120.40 104.68 2e5s s VAL 97 Ca 0.60 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2e5s s VAL 97 Cb -0.10 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2e5s s VAL 97 CO 0.42 -0.09 0.48 0.00 -0.31 0.00 0.00 175.10 175.60