#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 0.14 -2.62 1.61 0.87 -2.14 -3.44 113.55 107.97 2e5s h SER 2 Ca 0.00 0.12 0.13 0.00 -1.23 0.00 0.00 61.79 60.81 2e5s h SER 2 Cb 0.00 0.14 -0.30 0.00 -0.44 0.00 0.00 62.40 61.80 2e5s h SER 2 CO 0.00 0.03 0.65 -0.55 -0.53 0.00 0.00 176.83 176.43 2e5s s SER 3 N -5.29 -0.26 0.00 6.23 0.15 -1.26 -5.14 113.70 108.13 2e5s s SER 3 Ca -0.13 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2e5s s SER 3 Cb 0.20 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2e5s s SER 3 CO 0.76 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.72 2e5s n GLY 4 N 2.15 -0.07 3.34 9.45 0.00 -1.26 -5.17 105.19 113.63 2e5s n GLY 4 Ca -0.12 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 2e5s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5s s SER 5 N 0.00 3.24 0.34 1.61 0.01 -1.26 -5.13 113.70 112.51 2e5s s SER 5 Ca 0.00 -0.42 0.07 0.00 1.31 0.00 0.00 55.95 56.91 2e5s s SER 5 Cb 0.00 -0.48 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 2e5s s SER 5 CO 0.00 0.32 0.44 -0.55 0.41 0.00 0.00 173.24 173.86 2e5s s SER 6 N -0.59 5.84 0.00 2.44 0.15 -1.26 -5.03 113.70 115.25 2e5s s SER 6 Ca 0.09 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2e5s s SER 6 Cb -0.10 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2e5s s SER 6 CO -0.00 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2e5s n GLY 7 N -1.60 -1.07 3.44 9.45 0.00 -1.26 -5.09 105.19 109.06 2e5s n GLY 7 Ca -0.00 0.74 -0.44 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.00 6.22 -0.13 1.61 0.15 -1.26 -5.02 113.70 111.28 2e5s s SER 8 Ca 0.00 -0.93 -0.13 0.00 0.70 0.00 0.00 55.95 55.59 2e5s s SER 8 Cb 0.00 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 62.05 2e5s s SER 8 CO 0.00 -0.91 0.35 0.28 1.20 0.00 0.00 173.24 174.16 2e5s s THR 9 N 2.66 0.00 -1.19 6.45 -1.32 -1.26 -4.91 115.64 116.07 2e5s s THR 9 Ca 0.15 -0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.53 2e5s s THR 9 Cb -0.19 -0.51 0.01 0.00 -1.51 0.00 0.00 72.50 70.30 2e5s s THR 9 CO 0.12 -0.02 1.04 0.00 -2.21 0.00 0.00 174.62 173.55 2e5s n ALA 10 N 2.79 -1.21 -2.73 11.08 0.00 -1.26 -5.01 120.51 124.17 2e5s n ALA 10 Ca -0.13 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 2e5s n ALA 10 Cb 0.57 -4.75 -0.08 0.00 0.00 0.00 0.00 19.45 15.20 2e5s n ALA 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2e5s s THR 11 N -3.29 4.36 -0.18 0.00 -4.23 -1.26 -5.11 115.64 105.92 2e5s s THR 11 Ca 0.48 -0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 60.22 2e5s s THR 11 Cb -0.21 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.67 2e5s s THR 11 CO 0.65 0.24 0.42 -1.10 -0.54 0.00 0.00 174.62 174.29 2e5s s GLN 12 N -1.99 0.37 -0.23 3.99 -1.52 -1.26 -5.13 119.66 113.88 2e5s s GLN 12 Ca 0.24 0.91 -0.03 0.00 -1.95 0.00 0.00 55.36 54.53 2e5s s GLN 12 Cb -0.12 0.13 0.11 0.00 -0.22 0.00 0.00 33.01 32.91 2e5s s GLN 12 CO 0.16 -0.20 0.27 0.15 -0.25 0.00 0.00 175.29 175.42 2e5s s LYS 13 N 1.93 0.25 0.11 2.91 1.02 -1.26 -5.12 119.74 119.58 2e5s s LYS 13 Ca -0.06 0.20 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 2e5s s LYS 13 Cb -0.10 -0.95 -0.10 0.00 -0.52 0.00 0.00 37.83 36.17 2e5s s LYS 13 CO -0.13 -0.73 1.78 -0.51 -0.92 0.00 0.00 175.35 174.84 2e5s s LEU 14 N 2.38 4.39 -0.02 3.17 1.43 -1.26 -4.99 118.68 123.78 2e5s s LEU 14 Ca 0.09 2.69 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2e5s s LEU 14 Cb -0.15 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.51 2e5s s LEU 14 CO -0.17 -0.97 -0.04 -0.22 0.23 0.00 0.00 176.35 175.17 2e5s s LEU 15 N 2.71 1.62 -0.66 1.79 0.20 -1.26 -5.07 118.68 118.01 2e5s s LEU 15 Ca 0.79 -0.09 -0.38 0.00 0.69 0.00 0.00 54.13 55.13 2e5s s LEU 15 Cb -0.44 -0.32 -0.19 0.00 -0.43 0.00 0.00 46.19 44.80 2e5s s LEU 15 CO 0.35 -0.01 2.35 0.54 -0.29 0.00 0.00 176.35 179.29 2e5s n ARG 16 N 3.54 0.09 0.16 1.98 3.00 -1.26 -4.76 116.66 119.41 2e5s n ARG 16 Ca -0.20 0.02 0.03 0.00 -0.01 0.00 0.00 57.85 57.69 2e5s n ARG 16 Cb 0.54 -1.61 0.18 0.00 0.00 0.00 0.00 32.46 31.57 2e5s n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2e5s h THR 17 N 7.37 0.96 -0.78 0.55 1.03 -2.01 -3.19 112.91 116.84 2e5s h THR 17 Ca -0.10 -1.96 -0.52 0.00 -0.01 0.00 0.00 66.41 63.83 2e5s h THR 17 Cb 1.37 2.20 -0.23 0.00 -1.07 0.00 0.00 68.15 70.42 2e5s h THR 17 CO 1.19 0.47 0.67 0.47 -0.01 0.00 0.00 175.52 178.31 2e5s n ASP 18 N -3.41 6.78 -3.84 0.00 8.00 -1.26 -4.85 116.55 117.97 2e5s n ASP 18 Ca 0.01 -3.46 -0.25 0.00 0.71 0.00 0.00 54.79 51.80 2e5s n ASP 18 Cb 0.63 -0.98 -0.17 0.00 -0.02 0.00 0.00 41.12 40.58 2e5s n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2e5s s LYS 19 N -2.94 1.04 -0.21 -1.24 -0.14 -1.21 0.44 119.74 115.49 2e5s s LYS 19 Ca 0.50 -0.07 -0.07 0.00 -1.36 0.00 0.00 55.97 54.98 2e5s s LYS 19 Cb 0.39 -1.25 -0.03 0.00 -1.68 0.00 0.00 37.83 35.26 2e5s s LYS 19 CO 0.00 -0.28 0.05 -0.51 -0.76 0.00 0.00 175.35 173.86 2e5s s LEU 20 N 1.82 3.54 -0.29 3.17 1.43 0.02 -4.94 118.68 123.43 2e5s s LEU 20 Ca 0.04 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 2e5s s LEU 20 Cb -0.12 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2e5s s LEU 20 CO -0.06 0.07 1.47 -1.61 0.23 0.00 0.00 176.35 176.44 2e5s s GLU 21 N 1.01 3.78 0.15 1.70 2.02 -1.26 -1.38 118.70 124.71 2e5s s GLU 21 Ca 0.03 1.36 -0.31 0.00 0.02 0.00 0.00 54.97 56.07 2e5s s GLU 21 Cb -0.14 -3.98 -0.09 0.00 0.10 0.00 0.00 34.13 30.02 2e5s s GLU 21 CO 0.03 -1.31 1.45 0.08 0.02 0.00 0.00 175.26 175.54 2e5s s VAL 22 N 5.01 3.01 0.68 2.63 1.01 -1.01 -2.58 120.40 129.14 2e5s s VAL 22 Ca 0.64 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.19 2e5s s VAL 22 Cb -0.20 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2e5s s VAL 22 CO 0.28 0.06 1.20 0.00 0.00 0.00 0.00 175.10 176.64 2e5s n ARG 24 N -2.31 0.71 0.19 0.00 3.00 -1.26 -4.22 116.66 112.76 2e5s n ARG 24 Ca 0.13 0.24 -0.08 0.00 -0.01 0.00 0.00 57.85 58.13 2e5s n ARG 24 Cb 0.50 -1.70 -0.04 0.00 0.00 0.00 0.00 32.46 31.23 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2e5s h GLU 25 N 0.04 -0.50 -0.72 5.56 4.39 -1.97 -3.23 114.58 118.15 2e5s h GLU 25 Ca -0.41 0.03 0.25 0.00 0.34 0.00 0.00 59.36 59.57 2e5s h GLU 25 Cb 2.03 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 30.66 2e5s h GLU 25 CO 0.06 -0.33 0.20 0.34 -1.16 0.00 0.00 179.01 178.11 2e5s n PHE 26 N -4.22 0.65 -0.18 4.33 -0.00 -1.26 0.16 117.46 116.93 2e5s n PHE 26 Ca -0.06 0.86 -0.02 0.00 -0.00 0.00 0.00 57.45 58.23 2e5s n PHE 26 Cb 0.20 -1.16 0.05 0.00 -0.00 0.00 0.00 39.48 38.58 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 0.02 -0.65 -4.13 4.20 -1.73 0.35 115.11 113.16 2e5s h GLN 27 Ca 0.52 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.23 2e5s h GLN 27 Cb 1.25 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2e5s h GLN 27 CO -0.62 0.01 0.00 2.89 -0.67 0.00 0.00 178.83 180.44 2e5s n ARG 28 N -5.36 3.05 -3.53 1.46 1.85 0.42 -4.92 116.66 109.63 2e5s n ARG 28 Ca 0.06 -1.90 -0.19 0.00 -1.00 0.00 0.00 57.85 54.81 2e5s n ARG 28 Cb 0.29 -1.80 0.06 0.00 -1.05 0.00 0.00 32.46 29.96 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 0.66 -0.48 0.01 2.89 0.00 0.12 -4.92 105.19 103.47 2e5s n GLY 29 Ca 0.17 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.09 4.26 -4.63 1.61 2.85 -1.08 -4.96 115.26 110.23 2e5s n ASN 30 Ca -0.25 -0.00 -0.49 0.00 -0.11 0.00 0.00 54.58 53.73 2e5s n ASN 30 Cb 0.66 0.23 -0.05 0.00 1.24 0.00 0.00 39.78 41.87 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 2.60 1.58 0.25 0.00 0.00 -1.26 -4.31 120.51 119.38 2e5s n ALA 32 Ca 0.17 -1.28 0.08 0.00 0.00 0.00 0.00 53.44 52.40 2e5s n ALA 32 Cb 0.25 -0.22 0.61 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.90 -3.48 114.38 112.08 2e5s h ARG 33 Ca -0.51 0.00 0.22 0.00 0.07 0.00 0.00 59.98 59.76 2e5s h ARG 33 Cb 2.17 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 32.16 2e5s h ARG 33 CO 0.03 0.07 -0.29 0.41 -1.07 0.00 0.00 179.97 179.11 2e5s n GLY 34 N -1.33 -1.92 0.00 0.04 0.00 -1.26 -0.03 105.19 100.69 2e5s n GLY 34 Ca -0.03 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.88 0.81 -0.08 1.61 2.13 -1.26 0.14 120.64 121.10 2e5s n GLU 35 Ca 0.01 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2e5s n GLU 35 Cb 0.37 -1.34 -0.09 0.00 0.27 0.00 0.00 31.44 30.66 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 -0.84 0.96 0.53 6.31 -2.24 -1.25 -4.62 114.28 113.14 2e5s n THR 36 Ca 0.13 -0.42 0.09 0.00 -2.27 0.00 0.00 64.05 61.58 2e5s n THR 36 Cb 0.06 -0.99 -0.12 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.87 0.78 -4.80 3.42 2.03 0.95 -4.93 116.55 111.13 2e5s n ASP 37 Ca -0.28 -0.57 -0.36 0.00 0.52 0.00 0.00 54.79 54.10 2e5s n ASP 37 Cb 0.85 1.34 -0.07 0.00 -0.72 0.00 0.00 41.12 42.52 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s h ARG 39 N 5.83 0.57 -7.01 0.00 3.08 -1.92 -3.43 114.38 111.50 2e5s h ARG 39 Ca -0.48 -0.46 -0.54 0.00 0.07 0.00 0.00 59.98 58.58 2e5s h ARG 39 Cb 1.19 0.09 0.12 0.00 0.08 0.00 0.00 29.97 31.45 2e5s h ARG 39 CO 0.67 1.08 0.63 -0.06 -1.07 0.00 0.00 179.97 181.23 2e5s s PHE 40 N -3.71 2.47 -0.09 3.04 0.08 -1.26 -4.94 117.98 113.58 2e5s s PHE 40 Ca -0.08 1.35 -0.30 0.00 0.12 0.00 0.00 56.93 58.03 2e5s s PHE 40 Cb 0.10 -3.79 -0.03 0.00 -0.57 0.00 0.00 43.02 38.73 2e5s s PHE 40 CO 0.87 -2.68 1.22 0.00 -0.10 0.00 0.00 175.22 174.52 2e5s s ALA 41 N -1.28 3.54 -0.53 5.36 0.00 -1.07 -4.75 121.76 123.04 2e5s s ALA 41 Ca 0.65 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 2e5s s ALA 41 Cb -0.40 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.29 2e5s s ALA 41 CO 0.50 -0.88 0.50 -1.01 0.00 0.00 0.00 175.76 174.87 2e5s s HIS 42 N 2.57 3.24 -0.56 0.00 3.76 -1.26 -3.16 115.29 119.88 2e5s s HIS 42 Ca 0.56 -1.24 -0.27 0.00 -0.15 0.00 0.00 55.06 53.96 2e5s s HIS 42 Cb -0.24 -3.74 -0.02 0.00 1.11 0.00 0.00 32.58 29.69 2e5s s HIS 42 CO 0.20 -1.01 1.84 -1.25 -0.85 0.00 0.00 174.74 173.67 2e5s s PRO 43 N 1.64 2.76 -0.25 8.40 0.04 -1.26 -4.80 135.00 141.54 2e5s s PRO 43 Ca 0.03 0.74 -0.02 0.00 0.04 0.00 0.00 61.00 61.80 2e5s s PRO 43 Cb -0.29 -4.35 -0.17 0.00 0.04 0.00 0.00 34.50 29.73 2e5s s PRO 43 CO 0.03 -2.57 -0.17 0.00 0.04 0.00 0.00 177.00 174.34 2e5s n ALA 44 N 12.26 1.33 -2.49 8.56 0.00 -1.26 -4.93 120.51 133.98 2e5s n ALA 44 Ca 0.21 -1.04 -0.28 0.00 0.00 0.00 0.00 53.44 52.33 2e5s n ALA 44 Cb 0.51 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 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 -6.74 4.48 -1.12 0.00 2.15 -1.26 -4.74 116.67 109.45 2e5s s ASP 45 Ca -0.34 -1.31 -0.14 0.00 0.43 0.00 0.00 52.55 51.19 2e5s s ASP 45 Cb 0.10 0.28 0.02 0.00 -0.30 0.00 0.00 42.92 43.01 2e5s s ASP 45 CO 0.60 -0.94 0.27 -1.54 -0.17 0.00 0.00 175.17 173.39 2e5s n SER 46 N -1.55 -1.20 -3.34 -0.34 3.41 -1.26 -4.45 113.62 104.90 2e5s n SER 46 Ca -0.06 -1.04 -0.35 0.00 -0.26 0.00 0.00 58.87 57.16 2e5s n SER 46 Cb 0.65 -1.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.22 2e5s n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2e5s n THR 47 N -4.08 0.00 -3.32 6.66 -2.24 -1.26 -4.82 114.28 105.23 2e5s n THR 47 Ca -0.18 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2e5s n THR 47 Cb 0.51 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.28 2e5s n THR 47 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2e5s n MET 48 N 6.19 1.14 -4.24 -0.78 2.81 -1.26 -5.10 117.12 115.88 2e5s n MET 48 Ca 0.47 -3.64 -0.29 0.00 -1.81 0.00 0.00 57.70 52.43 2e5s n MET 48 Cb 0.01 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 30.83 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 -1.33 3.31 -0.18 2.02 1.01 -1.26 -4.74 121.20 120.01 2e5s s ILE 49 Ca 0.35 -1.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2e5s s ILE 49 Cb 0.13 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2e5s s ILE 49 CO -0.10 0.07 -0.14 -1.81 0.00 0.00 0.00 174.94 172.96 2e5s s ASP 50 N -2.33 3.65 0.00 3.58 1.01 -1.26 -4.98 116.67 116.34 2e5s s ASP 50 Ca 0.22 -0.52 0.14 0.00 0.71 0.00 0.00 52.55 53.10 2e5s s ASP 50 Cb -0.11 -1.58 0.83 0.00 1.01 0.00 0.00 42.92 43.07 2e5s s ASP 50 CO 0.14 0.02 1.43 0.35 0.21 0.00 0.00 175.17 177.32 2e5s n THR 51 N 4.51 0.00 -0.09 -1.27 -2.24 -1.26 0.78 114.28 114.71 2e5s n THR 51 Ca -0.20 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 2e5s n THR 51 Cb 0.51 -0.32 -0.12 0.00 -2.10 0.00 0.00 70.33 68.29 2e5s n THR 51 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2e5s n SER 52 N -0.75 2.01 0.00 3.42 3.41 -1.26 -4.77 113.62 115.67 2e5s n SER 52 Ca 0.10 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2e5s n SER 52 Cb 0.05 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2e5s n ASP 53 N -3.60 3.97 -1.56 4.04 8.00 -1.20 -5.05 116.55 121.15 2e5s n ASP 53 Ca -0.42 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.00 2e5s n ASP 53 Cb 0.96 0.38 0.03 0.00 -0.02 0.00 0.00 41.12 42.47 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 -1.74 -3.50 -4.14 -2.24 5.15 0.23 -4.99 115.26 104.03 2e5s n ASN 54 Ca 0.00 -0.18 -0.20 0.00 -0.60 0.00 0.00 54.58 53.60 2e5s n ASN 54 Cb 0.40 -2.05 -0.13 0.00 -0.53 0.00 0.00 39.78 37.47 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 -3.11 1.08 -0.05 -0.44 -4.23 -1.26 -2.40 115.64 105.23 2e5s s THR 55 Ca 0.20 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.71 2e5s s THR 55 Cb -0.09 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 2e5s s THR 55 CO 0.25 -0.03 -0.10 0.68 -0.54 0.00 0.00 174.62 174.87 2e5s s VAL 56 N -0.90 3.39 0.43 2.29 -7.23 -0.48 -4.49 120.40 113.42 2e5s s VAL 56 Ca 0.01 -0.64 -0.24 0.00 -1.81 0.00 0.00 61.98 59.30 2e5s s VAL 56 Cb -0.08 -2.38 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 2e5s s VAL 56 CO 0.01 0.56 1.15 -0.89 -0.31 0.00 0.00 175.10 175.62 2e5s s THR 57 N -0.80 3.23 -0.21 5.32 2.01 -1.26 -0.80 115.64 123.12 2e5s s THR 57 Ca 0.13 0.95 -0.05 0.00 0.31 0.00 0.00 61.69 63.03 2e5s s THR 57 Cb -0.11 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2e5s s THR 57 CO 0.02 0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.27 2e5s s VAL 58 N -1.53 3.83 -0.22 3.82 1.01 0.17 -3.04 120.40 124.44 2e5s s VAL 58 Ca 0.61 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2e5s s VAL 58 Cb -0.28 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2e5s s VAL 58 CO 0.34 0.42 2.09 0.00 0.00 0.00 0.00 175.10 177.95 2e5s h MET 60 N 14.15 -0.66 -0.14 0.00 4.05 -1.96 -3.04 114.93 127.32 2e5s h MET 60 Ca -0.40 0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.09 2e5s h MET 60 Cb 1.22 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 32.12 2e5s h MET 60 CO 0.98 -0.44 -0.39 -0.44 0.23 0.00 0.00 176.91 176.84 2e5s h ASP 61 N -0.69 -1.26 -0.79 1.39 5.19 -1.89 -1.62 116.42 116.75 2e5s h ASP 61 Ca -0.07 0.15 0.15 0.00 -0.62 0.00 0.00 57.03 56.65 2e5s h ASP 61 Cb 0.54 0.50 -0.14 0.00 0.18 0.00 0.00 39.33 40.40 2e5s h ASP 61 CO 0.10 -0.33 -0.23 0.00 -3.12 0.00 0.00 179.24 175.66 2e5s n TYR 62 N -4.60 0.22 -0.30 4.55 9.36 -1.21 0.21 117.16 125.38 2e5s n TYR 62 Ca -0.04 0.97 0.09 0.00 3.32 0.00 0.00 57.90 62.24 2e5s n TYR 62 Cb 0.26 -0.92 0.25 0.00 -0.63 0.00 0.00 39.34 38.31 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 0.67 0.00 2.97 1.08 -1.18 0.40 117.51 121.46 2e5s h ILE 63 Ca 0.35 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.62 2e5s h ILE 63 Cb 0.55 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2e5s h ILE 63 CO -0.81 0.11 -0.03 0.11 -0.69 0.00 0.00 178.15 176.84 2e5s h LYS 64 N 0.59 0.00 0.00 2.37 1.79 0.26 -3.46 116.57 118.12 2e5s h LYS 64 Ca 0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 2e5s h LYS 64 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2e5s h LYS 64 CO -0.40 0.03 0.00 0.41 -1.08 0.00 0.00 179.45 178.41 2e5s n GLY 65 N -1.26 2.04 2.81 3.86 0.00 0.14 -5.05 105.19 107.74 2e5s n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.20 0.96 -0.49 1.61 1.81 -1.25 -4.97 118.95 116.42 2e5s s ARG 66 Ca 0.00 -1.19 -0.04 0.00 -1.72 0.00 0.00 55.73 52.78 2e5s s ARG 66 Cb 0.00 -2.31 0.13 0.00 -0.45 0.00 0.00 34.95 32.32 2e5s s ARG 66 CO 0.00 -0.91 0.31 0.00 -0.68 0.00 0.00 175.30 174.01 2e5s n MET 68 N 4.32 1.25 -0.59 0.00 0.00 -1.26 -4.93 117.12 115.90 2e5s n MET 68 Ca 0.00 -2.95 -0.30 0.00 0.00 0.00 0.00 57.70 54.45 2e5s n MET 68 Cb 0.40 -1.13 0.21 0.00 0.00 0.00 0.00 33.22 32.71 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 -0.49 -1.47 -1.87 2.12 1.74 -1.26 -4.81 116.66 110.61 2e5s n ARG 69 Ca 0.16 -0.39 -0.35 0.00 -0.77 0.00 0.00 57.85 56.51 2e5s n ARG 69 Cb 0.88 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 -4.37 2.40 -1.22 5.56 2.12 -1.26 -3.26 118.70 118.67 2e5s s GLU 70 Ca 0.66 0.72 -0.04 0.00 0.36 0.00 0.00 54.97 56.67 2e5s s GLU 70 Cb -0.23 -4.55 -0.01 0.00 0.26 0.00 0.00 34.13 29.59 2e5s s GLU 70 CO 0.63 -3.08 0.79 1.63 -0.54 0.00 0.00 175.26 174.69 2e5s n LYS 71 N 9.08 -4.09 -1.54 4.30 4.76 -1.26 -4.82 118.16 124.59 2e5s n LYS 71 Ca 0.29 0.67 -0.54 0.00 -2.87 0.00 0.00 58.31 55.86 2e5s n LYS 71 Cb 0.52 -5.22 -0.06 0.00 -1.84 0.00 0.00 35.03 28.42 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 1.91 0.57 -3.81 0.00 -0.00 -1.26 -5.08 118.16 110.49 2e5s n LYS 73 Ca 0.19 -2.05 -0.22 0.00 -0.00 0.00 0.00 58.31 56.23 2e5s n LYS 73 Cb 0.16 -0.78 -0.02 0.00 -0.00 0.00 0.00 35.03 34.39 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 -1.21 3.46 0.44 5.58 1.51 -1.26 -5.08 117.35 120.79 2e5s s TYR 74 Ca 0.24 0.08 -0.24 0.00 -1.01 0.00 0.00 57.07 56.14 2e5s s TYR 74 Cb 0.24 -1.66 -0.08 0.00 -0.11 0.00 0.00 41.96 40.35 2e5s s TYR 74 CO -0.06 0.36 1.17 0.12 -1.11 0.00 0.00 175.55 176.03 2e5s s PHE 75 N -2.07 2.95 -0.30 2.71 5.36 -1.17 -4.82 117.98 120.65 2e5s s PHE 75 Ca 0.36 1.54 0.03 0.00 -0.96 0.00 0.00 56.93 57.90 2e5s s PHE 75 Cb -0.09 -3.38 0.08 0.00 -0.34 0.00 0.00 43.02 39.29 2e5s s PHE 75 CO 0.31 -1.42 -0.03 -1.01 -1.46 0.00 0.00 175.22 171.61 2e5s s HIS 76 N -1.50 3.49 0.88 10.12 3.76 -1.26 -2.61 115.29 128.17 2e5s s HIS 76 Ca 0.61 -2.65 -0.11 0.00 -0.15 0.00 0.00 55.06 52.75 2e5s s HIS 76 Cb -0.29 -2.42 0.12 0.00 1.11 0.00 0.00 32.58 31.09 2e5s s HIS 76 CO 0.36 -0.91 1.09 -1.25 -0.85 0.00 0.00 174.74 173.18 2e5s s PRO 77 N 1.01 1.39 1.21 8.40 0.04 -1.26 -5.05 135.00 140.75 2e5s s PRO 77 Ca 0.01 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 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 1.07 -0.35 0.04 0.00 0.00 177.00 175.54 2e5s n PRO 78 N -3.83 -3.13 0.06 0.56 -0.04 -1.26 -4.65 135.00 122.70 2e5s n PRO 78 Ca 0.07 -1.72 -0.02 0.00 -0.04 0.00 0.00 63.50 61.79 2e5s n PRO 78 Cb 0.55 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.93 -0.80 0.55 0.00 -1.96 0.29 119.26 113.67 2e5s h ALA 79 Ca -0.40 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.61 2e5s h ALA 79 Cb 1.24 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 2e5s h ALA 79 CO 0.26 -0.92 -0.25 -2.39 0.00 0.00 0.00 179.25 175.96 2e5s n HIS 80 N -2.48 0.17 0.15 0.00 -0.00 -1.26 -0.10 115.22 111.70 2e5s n HIS 80 Ca -0.02 0.98 -0.13 0.00 -0.00 0.00 0.00 57.72 58.55 2e5s n HIS 80 Cb 0.06 -0.89 -0.08 0.00 -0.00 0.00 0.00 29.99 29.08 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 -0.32 -1.00 2.39 3.38 -1.93 -3.01 115.31 114.82 2e5s h LEU 81 Ca 0.34 -0.17 0.38 0.00 0.09 0.00 0.00 57.88 58.51 2e5s h LEU 81 Cb 0.54 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.24 2e5s h LEU 81 CO -0.81 0.01 0.60 0.00 0.09 0.00 0.00 178.44 178.33 2e5s n GLN 82 N -5.13 -0.04 -0.03 1.13 6.02 0.10 0.13 117.38 119.57 2e5s n GLN 82 Ca -0.09 1.10 -0.13 0.00 -0.01 0.00 0.00 57.00 57.86 2e5s n GLN 82 Cb 0.25 -2.07 -0.10 0.00 1.02 0.00 0.00 30.24 29.34 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 1.50 0.02 -1.40 -1.58 0.00 -1.24 -2.84 119.26 113.71 2e5s h ALA 83 Ca 0.72 -0.31 0.48 0.00 0.00 0.00 0.00 54.91 55.81 2e5s h ALA 83 Cb 2.13 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.79 2e5s h ALA 83 CO -0.52 -0.17 0.92 1.63 0.00 0.00 0.00 179.25 181.11 2e5s n LYS 84 N -4.77 -0.03 -0.07 0.00 5.02 0.35 0.24 118.16 118.90 2e5s n LYS 84 Ca -0.09 1.21 -0.16 0.00 -2.02 0.00 0.00 58.31 57.26 2e5s n LYS 84 Cb 0.31 -2.42 -0.13 0.00 -0.02 0.00 0.00 35.03 32.77 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 1.62 -0.95 -0.18 5.03 -1.50 -3.35 117.51 118.18 2e5s h ILE 85 Ca 0.87 -2.33 0.28 0.00 -0.12 0.00 0.00 64.86 63.56 2e5s h ILE 85 Cb 2.86 3.18 -0.17 0.00 -3.03 0.00 0.00 36.82 39.66 2e5s h ILE 85 CO -0.42 0.57 0.18 0.11 -0.68 0.00 0.00 178.15 177.91 2e5s h LYS 86 N -0.95 0.07 -0.52 2.37 1.57 0.04 0.13 116.57 119.28 2e5s h LYS 86 Ca -0.07 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2e5s h LYS 86 Cb 1.10 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.29 2e5s h LYS 86 CO -0.03 0.04 -0.37 0.00 -0.57 0.00 0.00 179.45 178.53 2e5s h ALA 87 N 1.92 -0.20 -0.55 3.86 0.00 -1.49 -0.16 119.26 122.65 2e5s h ALA 87 Ca 0.63 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.76 2e5s h ALA 87 Cb 1.36 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 19.87 2e5s h ALA 87 CO -0.81 -0.75 -0.30 0.00 0.00 0.00 0.00 179.25 177.38 2e5s h ALA 88 N 0.77 -0.00 0.68 0.00 0.00 -0.91 -2.51 119.26 117.28 2e5s h ALA 88 Ca 0.19 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2e5s h ALA 88 Cb 0.56 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2e5s h ALA 88 CO -0.63 -0.65 -0.42 1.96 0.00 0.00 0.00 179.25 179.51 2e5s h GLN 89 N -0.16 -0.99 -6.79 0.00 7.50 -1.18 -3.43 115.11 110.06 2e5s h GLN 89 Ca 0.23 0.07 -0.57 0.00 0.50 0.00 0.00 58.65 58.88 2e5s h GLN 89 Cb 0.54 0.23 0.13 0.00 0.05 0.00 0.00 27.48 28.42 2e5s h GLN 89 CO -0.64 -0.66 0.34 0.72 -1.50 0.00 0.00 178.83 177.09 2e5s n HIS 90 N -5.08 1.65 -1.86 2.96 8.25 -0.20 -4.82 115.22 116.12 2e5s n HIS 90 Ca -0.13 0.51 -0.33 0.00 -0.26 0.00 0.00 57.72 57.51 2e5s n HIS 90 Cb 0.43 -2.29 -0.04 0.00 1.12 0.00 0.00 29.99 29.21 2e5s n HIS 90 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2e5s s GLN 91 N -2.28 2.36 -0.30 -0.41 0.74 -1.26 -4.85 119.66 113.66 2e5s s GLN 91 Ca 0.65 0.67 -0.07 0.00 0.05 0.00 0.00 55.36 56.65 2e5s s GLN 91 Cb -0.50 -4.60 0.18 0.00 1.10 0.00 0.00 33.01 29.18 2e5s s GLN 91 CO 0.55 -3.17 0.77 0.00 -0.55 0.00 0.00 175.29 172.89 2e5s s ALA 92 N 10.72 -2.59 -0.64 1.58 0.00 -1.26 -5.11 121.76 124.44 2e5s s ALA 92 Ca 0.79 1.84 -0.24 0.00 0.00 0.00 0.00 51.96 54.34 2e5s s ALA 92 Cb -0.13 -2.19 0.05 0.00 0.00 0.00 0.00 23.12 20.85 2e5s s ALA 92 CO 0.17 -1.26 1.05 1.21 0.00 0.00 0.00 175.76 176.93 2e5s s ASN 93 N 2.84 6.23 0.37 0.00 2.47 -1.26 -4.83 114.94 120.77 2e5s s ASN 93 Ca 0.09 -0.60 -0.04 0.00 0.42 0.00 0.00 52.86 52.72 2e5s s ASN 93 Cb -0.12 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 2e5s s ASN 93 CO -0.18 -1.49 0.64 -1.10 -3.72 0.00 0.00 177.10 171.26 2e5s s GLN 94 N 4.52 3.59 -0.70 0.43 1.11 -1.26 -5.06 119.66 122.29 2e5s s GLN 94 Ca 0.29 0.02 -0.01 0.00 0.01 0.00 0.00 55.36 55.67 2e5s s GLN 94 Cb -0.13 -2.55 0.18 0.00 -1.01 0.00 0.00 33.01 29.50 2e5s s GLN 94 CO 0.15 0.06 0.53 0.00 0.01 0.00 0.00 175.29 176.04 2e5s s ALA 95 N -2.35 3.77 0.36 6.09 0.00 -1.26 -5.06 121.76 123.31 2e5s s ALA 95 Ca 0.45 -3.49 0.04 0.00 0.00 0.00 0.00 51.96 48.96 2e5s s ALA 95 Cb -0.10 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 2e5s s ALA 95 CO 0.36 -2.12 0.07 0.00 0.00 0.00 0.00 175.76 174.07 2e5s s ALA 96 N -0.57 2.60 -0.10 0.00 0.00 -1.26 -5.15 121.76 117.28 2e5s s ALA 96 Ca 0.21 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.41 2e5s s ALA 96 Cb -0.16 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.63 2e5s s ALA 96 CO -0.07 -0.30 -0.11 0.14 0.00 0.00 0.00 175.76 175.42 2e5s s VAL 97 N -3.25 1.18 0.00 0.00 -7.23 -1.26 -5.21 120.40 104.64 2e5s s VAL 97 Ca 0.32 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2e5s s VAL 97 Cb 0.07 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.88 2e5s s VAL 97 CO 0.15 0.38 0.00 0.00 -0.31 0.00 0.00 175.10 175.32