#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 -0.57 0.31 1.61 0.15 -1.26 -5.17 113.70 108.77 2e5s s SER 2 Ca 0.00 1.07 -0.04 0.00 0.70 0.00 0.00 55.95 57.68 2e5s s SER 2 Cb 0.00 1.05 -0.00 0.00 -1.71 0.00 0.00 66.02 65.36 2e5s s SER 2 CO 0.00 -0.19 0.44 -0.94 1.20 0.00 0.00 173.24 173.76 2e5s s SER 3 N 0.57 0.69 -0.29 5.45 1.04 -1.26 -5.17 113.70 114.72 2e5s s SER 3 Ca -0.02 -1.38 -0.15 0.00 0.48 0.00 0.00 55.95 54.87 2e5s s SER 3 Cb -0.04 0.63 0.12 0.00 0.10 0.00 0.00 66.02 66.83 2e5s s SER 3 CO -0.03 -1.23 0.83 -0.83 0.98 0.00 0.00 173.24 172.96 2e5s s GLY 4 N -3.19 -0.36 0.25 7.32 0.00 -1.26 -5.18 107.32 104.90 2e5s s GLY 4 Ca 0.30 2.77 -0.08 0.00 0.00 0.00 0.00 44.72 47.71 2e5s s GLY 4 CO 0.18 2.71 0.37 -0.56 0.00 0.00 0.00 173.10 175.80 2e5s s SER 5 N 1.87 0.13 0.15 1.64 0.01 -1.26 -5.19 113.70 111.06 2e5s s SER 5 Ca -0.08 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.03 2e5s s SER 5 Cb -0.06 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 2e5s s SER 5 CO -0.18 -1.07 0.02 -0.94 0.41 0.00 0.00 173.24 171.49 2e5s s SER 6 N -3.09 0.86 -0.46 2.44 1.04 -1.26 -5.13 113.70 108.10 2e5s s SER 6 Ca 0.29 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.57 2e5s s SER 6 Cb 0.02 0.19 0.12 0.00 0.10 0.00 0.00 66.02 66.45 2e5s s SER 6 CO 0.12 -0.63 0.21 -0.83 0.98 0.00 0.00 173.24 173.08 2e5s s GLY 7 N -3.12 2.08 -0.20 7.32 0.00 -1.26 -5.07 107.32 107.08 2e5s s GLY 7 Ca 0.24 -2.88 -0.16 0.00 0.00 0.00 0.00 44.72 41.91 2e5s s GLY 7 CO 0.03 1.17 0.53 -1.35 0.00 0.00 0.00 173.10 173.47 2e5s s SER 8 N 0.19 -0.59 0.12 1.64 1.04 -1.26 -5.18 113.70 109.67 2e5s s SER 8 Ca 0.16 1.08 -0.00 0.00 0.48 0.00 0.00 55.95 57.67 2e5s s SER 8 Cb -0.24 1.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 2e5s s SER 8 CO -0.03 -0.19 0.02 0.28 0.98 0.00 0.00 173.24 174.30 2e5s s THR 9 N 0.63 0.27 0.02 2.02 -1.32 -1.26 -5.17 115.64 110.83 2e5s s THR 9 Ca -0.03 -1.90 -0.27 0.00 -1.21 0.00 0.00 61.69 58.27 2e5s s THR 9 Cb -0.05 -1.93 0.07 0.00 -1.51 0.00 0.00 72.50 69.08 2e5s s THR 9 CO -0.04 -0.60 0.63 0.00 -2.21 0.00 0.00 174.62 172.40 2e5s s ALA 10 N -3.92 -1.65 -0.90 11.08 0.00 -1.26 -5.11 121.76 120.01 2e5s s ALA 10 Ca 0.20 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 2e5s s ALA 10 Cb 0.07 0.30 0.22 0.00 0.00 0.00 0.00 23.12 23.72 2e5s s ALA 10 CO -0.01 -0.50 0.81 0.99 0.00 0.00 0.00 175.76 177.05 2e5s s THR 11 N -2.07 4.83 -0.46 0.00 2.01 -1.26 -4.87 115.64 113.82 2e5s s THR 11 Ca -0.07 -3.43 0.04 0.00 0.31 0.00 0.00 61.69 58.54 2e5s s THR 11 Cb -0.00 -3.98 0.43 0.00 0.01 0.00 0.00 72.50 68.95 2e5s s THR 11 CO 0.02 -1.07 1.38 0.00 -0.69 0.00 0.00 174.62 174.26 2e5s n GLN 12 N 2.82 3.33 -1.29 4.92 1.13 -1.26 -4.77 117.38 122.26 2e5s n GLN 12 Ca 0.19 -4.08 -0.33 0.00 -1.94 0.00 0.00 57.00 50.83 2e5s n GLN 12 Cb 0.39 -2.27 0.09 0.00 0.11 0.00 0.00 30.24 28.55 2e5s n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2e5s n LYS 13 N -0.64 2.60 -3.59 -1.09 4.01 -1.26 -4.84 118.16 113.34 2e5s n LYS 13 Ca 0.46 -3.16 -0.01 0.00 -0.51 0.00 0.00 58.31 55.09 2e5s n LYS 13 Cb 0.74 -2.24 -0.05 0.00 -0.51 0.00 0.00 35.03 32.97 2e5s n LYS 13 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 2e5s s LEU 14 N -3.66 -0.95 -0.12 -0.35 2.34 -1.26 -5.17 118.68 109.51 2e5s s LEU 14 Ca 0.62 1.34 -0.33 0.00 0.06 0.00 0.00 54.13 55.82 2e5s s LEU 14 Cb 0.49 2.14 0.13 0.00 -0.56 0.00 0.00 46.19 48.39 2e5s s LEU 14 CO -0.00 -0.19 1.23 -1.48 -1.06 0.00 0.00 176.35 174.85 2e5s s LEU 15 N 2.51 -0.11 0.44 1.48 0.05 -1.26 -5.18 118.68 116.61 2e5s s LEU 15 Ca -0.06 -0.06 -0.00 0.00 0.05 0.00 0.00 54.13 54.06 2e5s s LEU 15 Cb -0.09 1.40 -0.01 0.00 -2.05 0.00 0.00 46.19 45.44 2e5s s LEU 15 CO -0.19 -0.27 0.66 -0.13 -0.55 0.00 0.00 176.35 175.88 2e5s s ARG 16 N -2.44 3.15 -0.18 1.48 0.52 -1.26 -5.03 118.95 115.19 2e5s s ARG 16 Ca 0.11 -0.42 0.12 0.00 -0.52 0.00 0.00 55.73 55.02 2e5s s ARG 16 Cb 0.01 -2.56 -0.20 0.00 0.52 0.00 0.00 34.95 32.73 2e5s s ARG 16 CO -0.04 -0.21 0.00 -2.37 0.02 0.00 0.00 175.30 172.70 2e5s n THR 17 N -2.05 1.19 -0.71 0.02 5.66 -1.26 -4.51 114.28 112.61 2e5s n THR 17 Ca 0.00 -0.67 -0.06 0.00 -3.05 0.00 0.00 64.05 60.28 2e5s n THR 17 Cb 0.57 -0.71 -0.08 0.00 -1.55 0.00 0.00 70.33 68.56 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 -2.75 5.07 -3.92 1.09 5.75 -1.26 -4.76 116.55 115.78 2e5s n ASP 18 Ca -0.30 -2.39 -0.26 0.00 -0.01 0.00 0.00 54.79 51.82 2e5s n ASP 18 Cb 1.02 -1.22 -0.17 0.00 -1.03 0.00 0.00 41.12 39.73 2e5s n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2e5s s LYS 19 N 0.58 1.48 -0.13 0.11 1.02 -1.26 0.20 119.74 121.74 2e5s s LYS 19 Ca 0.32 -0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.04 2e5s s LYS 19 Cb 0.15 -1.50 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 2e5s s LYS 19 CO 0.00 -0.22 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.60 2e5s s LEU 20 N 1.53 2.85 -0.34 3.17 1.43 0.07 -4.93 118.68 122.46 2e5s s LEU 20 Ca 0.01 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 2e5s s LEU 20 Cb -0.13 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 2e5s s LEU 20 CO -0.06 0.17 1.49 -1.61 0.23 0.00 0.00 176.35 176.57 2e5s s GLU 21 N 0.30 3.65 0.12 1.70 2.02 -1.26 -0.98 118.70 124.25 2e5s s GLU 21 Ca -0.08 1.21 -0.31 0.00 0.02 0.00 0.00 54.97 55.80 2e5s s GLU 21 Cb -0.15 -4.02 -0.09 0.00 0.10 0.00 0.00 34.13 29.96 2e5s s GLU 21 CO 0.05 -1.47 1.60 0.08 0.02 0.00 0.00 175.26 175.54 2e5s s VAL 22 N 5.41 2.81 0.06 2.63 1.01 -1.02 -2.39 120.40 128.91 2e5s s VAL 22 Ca 0.65 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 2e5s s VAL 22 Cb -0.18 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 2e5s s VAL 22 CO 0.30 0.02 1.52 0.00 0.00 0.00 0.00 175.10 176.94 2e5s h ARG 24 N 7.76 0.81 0.65 0.00 3.08 -1.94 -3.29 114.38 121.45 2e5s h ARG 24 Ca -0.41 -0.63 -0.03 0.00 0.07 0.00 0.00 59.98 58.98 2e5s h ARG 24 Cb 1.20 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2e5s h ARG 24 CO 0.91 1.24 -0.35 0.93 -1.07 0.00 0.00 179.97 181.63 2e5s h GLU 25 N 0.57 -0.89 -0.79 0.04 5.08 -1.96 -2.94 114.58 113.70 2e5s h GLU 25 Ca -0.04 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 2e5s h GLU 25 Cb 1.36 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 30.67 2e5s h GLU 25 CO 0.15 -0.59 -0.09 0.34 -1.00 0.00 0.00 179.01 177.82 2e5s n PHE 26 N -4.61 0.39 -0.19 4.33 7.35 -1.25 0.36 117.46 123.83 2e5s n PHE 26 Ca -0.11 0.95 -0.09 0.00 -0.76 0.00 0.00 57.45 57.44 2e5s n PHE 26 Cb 0.37 -1.02 -0.05 0.00 0.35 0.00 0.00 39.48 39.13 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 -0.24 -0.95 -4.13 4.20 -1.58 0.59 115.11 113.00 2e5s h GLN 27 Ca 0.43 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 59.05 2e5s h GLN 27 Cb 0.78 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.55 2e5s h GLN 27 CO -0.78 -0.16 0.13 2.89 -0.67 0.00 0.00 178.83 180.24 2e5s n ARG 28 N -5.40 1.73 -4.04 1.46 1.85 0.16 -4.85 116.66 107.56 2e5s n ARG 28 Ca 0.01 -0.99 -0.30 0.00 -1.00 0.00 0.00 57.85 55.57 2e5s n ARG 28 Cb 0.35 -1.52 -0.02 0.00 -1.05 0.00 0.00 32.46 30.22 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 0.06 -0.33 0.05 2.89 0.00 0.21 -4.85 105.19 103.22 2e5s n GLY 29 Ca 0.15 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 2e5s n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e5s n ASN 30 N -2.86 2.59 -4.72 1.61 4.13 -0.76 -4.96 115.26 110.30 2e5s n ASN 30 Ca -0.14 -0.02 -0.40 0.00 1.68 0.00 0.00 54.58 55.71 2e5s n ASN 30 Cb 0.60 0.54 0.03 0.00 -1.54 0.00 0.00 39.78 39.41 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2e5s n ALA 32 N -0.65 1.86 0.33 0.00 0.00 -1.26 -4.57 120.51 116.23 2e5s n ALA 32 Ca 0.08 -0.34 0.21 0.00 0.00 0.00 0.00 53.44 53.39 2e5s n ALA 32 Cb 0.42 0.18 1.14 0.00 0.00 0.00 0.00 19.45 21.20 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 2.47 -1.92 -3.48 114.38 108.44 2e5s h ARG 33 Ca -0.15 0.00 0.36 0.00 -1.26 0.00 0.00 59.98 58.93 2e5s h ARG 33 Cb 1.31 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.53 2e5s h ARG 33 CO 0.00 0.00 -0.58 0.41 0.56 0.00 0.00 179.97 180.37 2e5s n GLY 34 N -1.13 -1.90 0.22 0.04 0.00 -1.26 -0.46 105.19 100.69 2e5s n GLY 34 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.98 0.93 -0.04 1.61 2.13 -1.26 -0.31 120.64 119.73 2e5s n GLU 35 Ca -0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.77 2e5s n GLU 35 Cb 0.66 -1.20 -0.05 0.00 0.27 0.00 0.00 31.44 31.12 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 -0.27 0.46 0.24 6.31 -2.24 -1.24 -4.71 114.28 112.83 2e5s n THR 36 Ca 0.00 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2e5s n THR 36 Cb 0.10 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.51 2e5s n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2e5s n ASP 37 N -2.46 0.64 -4.84 3.42 9.92 0.39 -5.00 116.55 118.62 2e5s n ASP 37 Ca -0.12 -0.82 -0.37 0.00 -0.53 0.00 0.00 54.79 52.95 2e5s n ASP 37 Cb 0.69 0.69 -0.06 0.00 -0.64 0.00 0.00 41.12 41.79 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e5s h ARG 39 N 5.33 0.71 -6.93 0.00 3.08 -1.94 -3.44 114.38 111.19 2e5s h ARG 39 Ca -0.51 -0.66 -0.54 0.00 0.07 0.00 0.00 59.98 58.33 2e5s h ARG 39 Cb 1.21 0.16 0.11 0.00 0.08 0.00 0.00 29.97 31.54 2e5s h ARG 39 CO 0.63 1.26 0.74 1.19 -1.07 0.00 0.00 179.97 182.71 2e5s n PHE 40 N -3.95 2.88 -2.47 3.04 3.72 -1.26 -4.93 117.46 114.49 2e5s n PHE 40 Ca -0.09 0.46 -0.42 0.00 -0.05 0.00 0.00 57.45 57.34 2e5s n PHE 40 Cb 0.78 -2.51 -0.03 0.00 -0.94 0.00 0.00 39.48 36.79 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 -1.13 3.51 -0.54 4.37 0.00 -1.00 -4.67 121.76 122.30 2e5s s ALA 41 Ca 0.55 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 2e5s s ALA 41 Cb -0.48 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 19.23 2e5s s ALA 41 CO 0.63 -0.80 0.51 -1.01 0.00 0.00 0.00 175.76 175.09 2e5s s HIS 42 N 2.35 3.22 0.08 0.00 3.76 -1.26 -2.59 115.29 120.84 2e5s s HIS 42 Ca 0.55 -1.19 -0.31 0.00 -0.15 0.00 0.00 55.06 53.97 2e5s s HIS 42 Cb -0.24 -3.73 -0.07 0.00 1.11 0.00 0.00 32.58 29.65 2e5s s HIS 42 CO 0.21 -1.02 1.39 -1.25 -0.85 0.00 0.00 174.74 173.22 2e5s s PRO 43 N 1.74 4.31 -0.21 8.40 0.04 -1.26 -4.93 135.00 143.10 2e5s s PRO 43 Ca 0.04 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 2e5s s PRO 43 Cb -0.28 -3.36 -0.12 0.00 0.04 0.00 0.00 34.50 30.78 2e5s s PRO 43 CO 0.04 -0.47 -0.21 0.00 0.04 0.00 0.00 177.00 176.40 2e5s n ALA 44 N 4.41 1.58 -0.81 8.56 0.00 -1.26 -4.99 120.51 127.99 2e5s n ALA 44 Ca 0.12 -0.86 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 2e5s n ALA 44 Cb 0.43 0.09 0.25 0.00 0.00 0.00 0.00 19.45 20.21 2e5s n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2e5s s ASP 45 N -6.24 0.52 0.11 0.00 1.01 -1.26 -5.04 116.67 105.77 2e5s s ASP 45 Ca -0.28 0.88 0.03 0.00 0.71 0.00 0.00 52.55 53.89 2e5s s ASP 45 Cb 0.08 -1.29 -0.04 0.00 1.01 0.00 0.00 42.92 42.68 2e5s s ASP 45 CO 0.44 -4.39 0.16 -0.55 0.21 0.00 0.00 175.17 171.03 2e5s s SER 46 N -3.43 5.85 -1.42 0.27 0.15 -1.26 -4.50 113.70 109.36 2e5s s SER 46 Ca 0.69 0.05 -0.09 0.00 0.70 0.00 0.00 55.95 57.30 2e5s s SER 46 Cb -0.14 -1.65 0.04 0.00 -1.71 0.00 0.00 66.02 62.56 2e5s s SER 46 CO 0.58 0.13 1.02 0.41 1.20 0.00 0.00 173.24 176.58 2e5s n THR 47 N 0.06 -2.96 -2.20 6.45 -1.04 -1.26 -4.90 114.28 108.43 2e5s n THR 47 Ca -0.07 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 61.75 2e5s n THR 47 Cb 0.53 -3.51 0.07 0.00 -1.82 0.00 0.00 70.33 65.59 2e5s n THR 47 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2e5s n MET 48 N -4.71 2.26 -4.13 -2.82 0.00 -1.26 -5.04 117.12 101.41 2e5s n MET 48 Ca -0.04 -3.55 -0.15 0.00 0.00 0.00 0.00 57.70 53.96 2e5s n MET 48 Cb 0.57 -1.68 -0.14 0.00 0.00 0.00 0.00 33.22 31.97 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 -3.53 0.41 -0.41 1.12 1.01 -1.26 -4.85 121.20 113.68 2e5s s ILE 49 Ca 0.40 -0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 2e5s s ILE 49 Cb 0.38 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.50 2e5s s ILE 49 CO -0.03 0.04 0.87 -1.81 0.00 0.00 0.00 174.94 174.01 2e5s s ASP 50 N -0.31 6.54 0.00 3.58 1.01 -0.13 -4.89 116.67 122.46 2e5s s ASP 50 Ca 0.00 0.25 0.19 0.00 0.71 0.00 0.00 52.55 53.70 2e5s s ASP 50 Cb -0.03 -2.43 1.04 0.00 1.01 0.00 0.00 42.92 42.51 2e5s s ASP 50 CO -0.00 -0.91 1.57 0.35 0.21 0.00 0.00 175.17 176.39 2e5s n THR 51 N 6.13 0.25 -0.05 -1.27 -2.24 -1.26 0.12 114.28 115.95 2e5s n THR 51 Ca 0.05 0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.70 2e5s n THR 51 Cb 0.48 -0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 67.83 2e5s n THR 51 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2e5s h SER 52 N 0.00 0.14 0.00 3.42 0.02 -1.94 -3.41 113.55 111.77 2e5s h SER 52 Ca 0.00 -0.77 -0.10 0.00 -0.84 0.00 0.00 61.79 60.08 2e5s h SER 52 Cb 0.10 -0.04 -0.22 0.00 0.14 0.00 0.00 62.40 62.38 2e5s h SER 52 CO 0.00 1.39 -0.78 0.47 -1.14 0.00 0.00 176.83 176.77 2e5s n ASP 53 N -4.31 1.13 -3.46 3.07 8.00 -1.17 -4.98 116.55 114.82 2e5s n ASP 53 Ca -0.23 -2.55 -0.24 0.00 0.71 0.00 0.00 54.79 52.49 2e5s n ASP 53 Cb 0.70 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.40 2e5s n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2e5s n ASN 54 N -0.08 -1.34 -4.73 -2.24 6.94 0.33 -4.85 115.26 109.28 2e5s n ASN 54 Ca 0.09 -0.52 -0.27 0.00 -0.02 0.00 0.00 54.58 53.86 2e5s n ASN 54 Cb 0.95 -1.21 -0.08 0.00 -2.36 0.00 0.00 39.78 37.08 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2e5s s THR 55 N -2.52 1.99 0.12 5.53 -4.23 -1.20 -2.43 115.64 112.89 2e5s s THR 55 Ca 0.46 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2e5s s THR 55 Cb -0.27 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 2e5s s THR 55 CO 0.57 0.00 -0.10 0.68 -0.54 0.00 0.00 174.62 175.22 2e5s s VAL 56 N -2.69 1.05 0.45 2.29 -7.23 -0.15 -0.96 120.40 113.16 2e5s s VAL 56 Ca 0.33 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2e5s s VAL 56 Cb 0.04 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2e5s s VAL 56 CO 0.18 -0.65 0.81 -0.89 -0.31 0.00 0.00 175.10 174.24 2e5s s THR 57 N -2.88 4.81 -0.07 5.32 2.01 -1.26 -0.75 115.64 122.82 2e5s s THR 57 Ca 0.11 0.53 0.04 0.00 0.31 0.00 0.00 61.69 62.68 2e5s s THR 57 Cb -0.00 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2e5s s THR 57 CO 0.00 -0.69 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.35 2e5s s VAL 58 N -2.57 1.70 0.33 3.82 1.01 0.13 -3.12 120.40 121.70 2e5s s VAL 58 Ca 0.51 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2e5s s VAL 58 Cb -0.10 -1.47 -0.11 0.00 0.00 0.00 0.00 36.38 34.70 2e5s s VAL 58 CO 0.38 0.48 1.42 0.00 0.00 0.00 0.00 175.10 177.38 2e5s h MET 60 N 3.61 0.19 0.42 0.00 4.05 -1.99 -3.33 114.93 117.88 2e5s h MET 60 Ca -0.49 -0.32 -0.02 0.00 -0.28 0.00 0.00 59.70 58.59 2e5s h MET 60 Cb 1.23 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 2e5s h MET 60 CO 0.68 1.15 -0.20 -0.44 0.23 0.00 0.00 176.91 178.33 2e5s h ASP 61 N -0.52 -0.47 -0.73 1.39 5.19 -1.92 -3.09 116.42 116.25 2e5s h ASP 61 Ca -0.22 0.02 0.20 0.00 -0.62 0.00 0.00 57.03 56.40 2e5s h ASP 61 Cb 1.55 0.12 -0.14 0.00 0.18 0.00 0.00 39.33 41.05 2e5s h ASP 61 CO 0.04 -0.32 0.02 0.00 -3.12 0.00 0.00 179.24 175.85 2e5s n TYR 62 N -3.63 0.47 -0.34 4.55 9.36 -1.25 0.53 117.16 126.84 2e5s n TYR 62 Ca -0.07 0.88 -0.04 0.00 3.32 0.00 0.00 57.90 62.00 2e5s n TYR 62 Cb 0.22 -1.05 0.01 0.00 -0.63 0.00 0.00 39.34 37.89 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 0.04 0.00 2.97 1.08 -1.65 1.46 117.51 121.41 2e5s h ILE 63 Ca 0.44 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.91 2e5s h ILE 63 Cb 0.92 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.70 2e5s h ILE 63 CO -0.69 0.00 -0.02 0.07 -0.69 0.00 0.00 178.15 176.82 2e5s h LYS 64 N -0.05 0.00 0.00 2.37 2.10 -0.01 -3.46 116.57 117.51 2e5s h LYS 64 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 2e5s h LYS 64 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2e5s h LYS 64 CO -0.90 0.02 0.00 0.41 -2.00 0.00 0.00 179.45 176.98 2e5s n GLY 65 N -1.28 1.76 3.13 0.07 0.00 0.50 -5.07 105.19 104.31 2e5s n GLY 65 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.12 -0.37 1.61 0.52 -1.25 -4.89 118.95 116.69 2e5s s ARG 66 Ca 0.00 -1.58 -0.03 0.00 -0.52 0.00 0.00 55.73 53.60 2e5s s ARG 66 Cb 0.00 -3.36 0.09 0.00 0.52 0.00 0.00 34.95 32.20 2e5s s ARG 66 CO 0.00 -0.86 0.13 0.00 0.02 0.00 0.00 175.30 174.59 2e5s n MET 68 N 4.60 0.40 -0.78 0.00 0.00 -1.26 -4.92 117.12 115.17 2e5s n MET 68 Ca -0.06 -2.02 -0.32 0.00 0.00 0.00 0.00 57.70 55.31 2e5s n MET 68 Cb 0.42 -0.56 0.16 0.00 0.00 0.00 0.00 33.22 33.24 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 -0.11 -0.31 -1.78 2.12 1.74 -1.26 -4.83 116.66 112.24 2e5s n ARG 69 Ca 0.08 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.75 2e5s n ARG 69 Cb 0.90 -2.37 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 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 -4.47 2.59 -1.22 5.56 2.56 -1.26 -3.04 118.70 119.42 2e5s s GLU 70 Ca 0.68 1.25 -0.06 0.00 0.00 0.00 0.00 54.97 56.84 2e5s s GLU 70 Cb -0.24 -4.44 -0.01 0.00 2.00 0.00 0.00 34.13 31.43 2e5s s GLU 70 CO 0.57 -2.74 0.75 1.63 -0.56 0.00 0.00 175.26 174.91 2e5s n LYS 71 N 8.94 -3.48 -1.70 4.30 4.01 -1.26 -4.78 118.16 124.18 2e5s n LYS 71 Ca 0.29 0.61 -0.58 0.00 -0.51 0.00 0.00 58.31 58.11 2e5s n LYS 71 Cb 0.51 -4.99 -0.07 0.00 -0.51 0.00 0.00 35.03 29.97 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2e5s n LYS 73 N 4.83 3.20 -4.35 0.00 2.85 -1.26 -5.03 118.16 118.40 2e5s n LYS 73 Ca 0.26 -3.94 -0.24 0.00 -1.05 0.00 0.00 58.31 53.34 2e5s n LYS 73 Cb 0.11 -2.18 -0.08 0.00 -0.65 0.00 0.00 35.03 32.23 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 -3.56 2.55 0.32 5.58 1.51 -1.26 -5.06 117.35 117.44 2e5s s TYR 74 Ca 0.50 -0.26 -0.26 0.00 -1.01 0.00 0.00 57.07 56.04 2e5s s TYR 74 Cb 0.41 -1.14 -0.10 0.00 -0.11 0.00 0.00 41.96 41.03 2e5s s TYR 74 CO 0.02 0.64 0.95 0.12 -1.11 0.00 0.00 175.55 176.17 2e5s s PHE 75 N -2.30 3.70 -0.39 2.71 5.36 -1.18 -4.74 117.98 121.13 2e5s s PHE 75 Ca 0.30 1.79 -0.04 0.00 -0.96 0.00 0.00 56.93 58.02 2e5s s PHE 75 Cb -0.06 -2.94 0.09 0.00 -0.34 0.00 0.00 43.02 39.77 2e5s s PHE 75 CO 0.18 0.18 0.19 -1.01 -1.46 0.00 0.00 175.22 173.29 2e5s s HIS 76 N -1.57 3.47 0.97 10.12 3.76 -1.26 -2.29 115.29 128.50 2e5s s HIS 76 Ca 0.50 -2.11 -0.12 0.00 -0.15 0.00 0.00 55.06 53.18 2e5s s HIS 76 Cb -0.20 -2.98 0.17 0.00 1.11 0.00 0.00 32.58 30.68 2e5s s HIS 76 CO 0.25 -0.92 1.09 -1.25 -0.85 0.00 0.00 174.74 173.06 2e5s s PRO 77 N 1.23 0.65 1.21 8.40 0.04 -1.26 -5.05 135.00 140.22 2e5s s PRO 77 Ca 0.05 0.60 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 2e5s s PRO 77 Cb -0.22 -1.76 0.30 0.00 0.04 0.00 0.00 34.50 32.86 2e5s s PRO 77 CO -0.02 -2.60 1.07 -0.35 0.04 0.00 0.00 177.00 175.13 2e5s n PRO 78 N -4.10 -3.12 0.24 0.56 -0.04 -1.26 -4.72 135.00 122.57 2e5s n PRO 78 Ca 0.06 -1.71 -0.10 0.00 -0.04 0.00 0.00 63.50 61.71 2e5s n PRO 78 Cb 0.57 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2e5s n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e5s h ALA 79 N -2.73 -0.86 -0.96 0.55 0.00 -1.96 0.23 119.26 113.53 2e5s h ALA 79 Ca -0.40 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.55 2e5s h ALA 79 Cb 1.23 0.25 -0.18 0.00 0.00 0.00 0.00 17.79 19.09 2e5s h ALA 79 CO 0.26 -0.81 -0.26 -2.39 0.00 0.00 0.00 179.25 176.06 2e5s n HIS 80 N -4.32 0.31 0.17 0.00 1.44 -1.26 -0.75 115.22 110.81 2e5s n HIS 80 Ca -0.08 1.18 -0.13 0.00 -2.01 0.00 0.00 57.72 56.67 2e5s n HIS 80 Cb 0.25 -1.04 -0.08 0.00 0.12 0.00 0.00 29.99 29.25 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 -0.38 -0.73 2.39 3.38 -1.93 -3.07 115.31 114.96 2e5s h LEU 81 Ca 0.45 -0.15 0.30 0.00 0.09 0.00 0.00 57.88 58.57 2e5s h LEU 81 Cb 0.69 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.41 2e5s h LEU 81 CO -0.99 -0.03 0.39 0.00 0.09 0.00 0.00 178.44 177.90 2e5s n GLN 82 N -5.16 -0.04 0.13 1.13 6.02 0.07 0.11 117.38 119.65 2e5s n GLN 82 Ca -0.10 1.01 -0.13 0.00 -0.01 0.00 0.00 57.00 57.77 2e5s n GLN 82 Cb 0.27 -1.81 -0.08 0.00 1.02 0.00 0.00 30.24 29.65 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 1.46 -0.37 -0.90 -1.58 0.00 -1.33 -2.55 119.26 113.99 2e5s h ALA 83 Ca 0.62 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 55.70 2e5s h ALA 83 Cb 1.63 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 19.42 2e5s h ALA 83 CO -0.56 -0.50 0.51 1.63 0.00 0.00 0.00 179.25 180.32 2e5s n LYS 84 N -5.09 -0.05 -0.00 0.00 4.01 0.29 0.12 118.16 117.45 2e5s n LYS 84 Ca -0.09 1.13 -0.17 0.00 -0.51 0.00 0.00 58.31 58.67 2e5s n LYS 84 Cb 0.26 -2.07 -0.13 0.00 -0.51 0.00 0.00 35.03 32.58 2e5s n LYS 84 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2e5s h ILE 85 N 0.00 1.56 -0.49 -0.18 5.03 -1.46 -3.32 117.51 118.66 2e5s h ILE 85 Ca 0.72 -2.27 0.10 0.00 -0.12 0.00 0.00 64.86 63.28 2e5s h ILE 85 Cb 1.98 3.03 -0.10 0.00 -3.03 0.00 0.00 36.82 38.70 2e5s h ILE 85 CO -0.59 0.63 -0.20 0.11 -0.68 0.00 0.00 178.15 177.41 2e5s h LYS 86 N -0.48 -0.09 -0.33 2.37 1.57 0.13 -2.16 116.57 117.59 2e5s h LYS 86 Ca -0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2e5s h LYS 86 Cb 1.30 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.56 2e5s h LYS 86 CO 0.09 -0.06 -0.55 0.00 -0.57 0.00 0.00 179.45 178.36 2e5s h ALA 87 N 1.27 -0.81 -0.85 3.86 0.00 -1.31 -0.86 119.26 120.56 2e5s h ALA 87 Ca 0.23 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.30 2e5s h ALA 87 Cb 0.45 1.09 -0.16 0.00 0.00 0.00 0.00 17.79 19.17 2e5s h ALA 87 CO -0.55 -1.06 -0.16 0.00 0.00 0.00 0.00 179.25 177.48 2e5s h ALA 88 N -0.11 0.65 0.35 0.00 0.00 -1.49 -0.85 119.26 117.81 2e5s h ALA 88 Ca 0.06 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2e5s h ALA 88 Cb 0.62 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2e5s h ALA 88 CO -0.55 -0.42 -0.47 1.96 0.00 0.00 0.00 179.25 179.77 2e5s h GLN 89 N 0.01 -0.83 -7.52 0.00 1.08 -0.89 -3.44 115.11 103.53 2e5s h GLN 89 Ca 0.43 0.06 -0.46 0.00 -1.45 0.00 0.00 58.65 57.22 2e5s h GLN 89 Cb 0.70 0.19 0.12 0.00 -0.05 0.00 0.00 27.48 28.44 2e5s h GLN 89 CO -0.85 -0.56 0.33 -1.01 -0.95 0.00 0.00 178.83 175.79 2e5s s HIS 90 N -5.89 2.62 -0.22 2.96 3.76 -0.33 -4.92 115.29 113.29 2e5s s HIS 90 Ca -0.17 0.84 -0.28 0.00 -0.15 0.00 0.00 55.06 55.30 2e5s s HIS 90 Cb 0.05 -3.40 -0.05 0.00 1.11 0.00 0.00 32.58 30.29 2e5s s HIS 90 CO 0.62 -2.21 2.18 -1.14 -0.85 0.00 0.00 174.74 173.34 2e5s s GLN 91 N -5.34 3.18 1.27 1.40 0.74 -1.26 -4.85 119.66 114.79 2e5s s GLN 91 Ca 0.63 2.01 -0.20 0.00 0.05 0.00 0.00 55.36 57.86 2e5s s GLN 91 Cb -0.14 -4.35 0.31 0.00 1.10 0.00 0.00 33.01 29.93 2e5s s GLN 91 CO 0.52 -2.05 1.04 0.00 -0.55 0.00 0.00 175.29 174.25 2e5s s ALA 92 N 8.08 0.04 -0.08 1.58 0.00 -1.26 -5.04 121.76 125.08 2e5s s ALA 92 Ca 0.99 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.17 2e5s s ALA 92 Cb -0.33 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2e5s s ALA 92 CO 0.35 -3.94 -0.16 0.54 0.00 0.00 0.00 175.76 172.56 2e5s s ASN 93 N -3.49 2.17 -1.35 0.00 4.22 -1.26 -4.76 114.94 110.47 2e5s s ASN 93 Ca 0.70 -0.38 -0.07 0.00 -2.14 0.00 0.00 52.86 50.97 2e5s s ASN 93 Cb -0.13 -1.00 0.02 0.00 1.28 0.00 0.00 41.25 41.42 2e5s s ASN 93 CO 0.58 0.07 1.06 0.00 -2.04 0.00 0.00 177.10 176.76 2e5s n GLN 94 N 3.74 -6.93 -3.91 3.55 1.13 -1.26 -2.07 117.38 111.63 2e5s n GLN 94 Ca -0.22 0.77 -0.28 0.00 -1.94 0.00 0.00 57.00 55.34 2e5s n GLN 94 Cb 0.52 -5.74 0.01 0.00 0.11 0.00 0.00 30.24 25.14 2e5s n GLN 94 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2e5s n ALA 95 N -4.68 -1.63 -1.96 -1.58 0.00 -1.26 -4.79 120.51 104.61 2e5s n ALA 95 Ca -0.08 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 2e5s n ALA 95 Cb 0.59 -3.03 -0.07 0.00 0.00 0.00 0.00 19.45 16.94 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 -3.54 1.49 0.34 0.00 0.00 -0.88 -4.92 121.76 114.25 2e5s s ALA 96 Ca 0.36 -1.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.16 2e5s s ALA 96 Cb -0.19 -4.66 -0.13 0.00 0.00 0.00 0.00 23.12 18.14 2e5s s ALA 96 CO 0.85 -5.54 0.90 1.55 0.00 0.00 0.00 175.76 173.52 2e5s n VAL 97 N 8.09 2.07 1.02 0.00 3.14 -1.26 -4.83 118.33 126.56 2e5s n VAL 97 Ca 0.44 -0.50 0.12 0.00 -2.96 0.00 0.00 64.34 61.44 2e5s n VAL 97 Cb 0.47 -0.90 0.12 0.00 -1.06 0.00 0.00 33.84 32.47 2e5s n VAL 97 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37