#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr0 s SER 2 N 0.00 1.10 1.01 1.61 0.01 -1.26 -5.16 113.70 111.01 2cr0 s SER 2 Ca 0.00 -0.90 -0.13 0.00 1.31 0.00 0.00 55.95 56.24 2cr0 s SER 2 Cb 0.00 0.08 0.19 0.00 0.21 0.00 0.00 66.02 66.50 2cr0 s SER 2 CO 0.00 -0.40 1.10 -0.94 0.41 0.00 0.00 173.24 173.41 2cr0 s SER 3 N -2.69 2.55 0.04 2.44 1.04 -1.26 -4.98 113.70 110.83 2cr0 s SER 3 Ca 0.07 1.13 -0.19 0.00 0.48 0.00 0.00 55.95 57.43 2cr0 s SER 3 Cb 0.01 -1.78 -0.16 0.00 0.10 0.00 0.00 66.02 64.20 2cr0 s SER 3 CO -0.03 -3.17 1.27 1.23 0.98 0.00 0.00 173.24 173.52 2cr0 h GLY 4 N -1.92 0.46 -7.45 7.32 0.00 -2.04 -3.38 103.07 96.06 2cr0 h GLY 4 Ca -0.55 -0.56 -0.69 0.00 0.00 0.00 0.00 47.33 45.53 2cr0 h GLY 4 CO 0.58 0.50 -0.30 -0.45 0.00 0.00 0.00 176.54 176.87 2cr0 s SER 5 N -6.37 5.41 0.13 0.19 0.15 -1.26 -4.93 113.70 107.02 2cr0 s SER 5 Ca -0.14 -3.20 -0.19 0.00 0.70 0.00 0.00 55.95 53.12 2cr0 s SER 5 Cb 0.05 -1.85 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 2cr0 s SER 5 CO 0.78 -0.29 1.73 -1.28 1.20 0.00 0.00 173.24 175.39 2cr0 h SER 6 N 6.58 -0.01 -3.24 5.45 0.87 -1.99 -3.40 113.55 117.81 2cr0 h SER 6 Ca 0.05 0.04 -0.67 0.00 -1.23 0.00 0.00 61.79 59.98 2cr0 h SER 6 Cb 0.89 0.06 -0.32 0.00 -0.44 0.00 0.00 62.40 62.59 2cr0 h SER 6 CO 0.75 0.03 -0.83 -0.83 -0.53 0.00 0.00 176.83 175.42 2cr0 s GLY 7 N -2.58 1.44 -0.11 5.77 0.00 -1.26 -4.91 107.32 105.67 2cr0 s GLY 7 Ca -0.13 -1.08 -0.05 0.00 0.00 0.00 0.00 44.72 43.45 2cr0 s GLY 7 CO 0.69 0.05 0.10 1.25 0.00 0.00 0.00 173.10 175.20 2cr0 s LYS 8 N 0.89 3.31 -0.67 2.90 2.20 -1.26 -4.91 119.74 122.20 2cr0 s LYS 8 Ca -0.04 -0.22 -0.26 0.00 -0.36 0.00 0.00 55.97 55.09 2cr0 s LYS 8 Cb -0.15 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2cr0 s LYS 8 CO -0.02 0.75 1.88 -1.25 -0.36 0.00 0.00 175.35 176.36 2cr0 s PRO 9 N -1.03 2.60 0.66 4.03 0.04 -1.26 -1.14 135.00 138.91 2cr0 s PRO 9 Ca 0.15 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 2cr0 s PRO 9 Cb -0.12 -4.53 0.17 0.00 0.04 0.00 0.00 34.50 30.06 2cr0 s PRO 9 CO 0.04 -2.87 0.49 0.27 0.04 0.00 0.00 177.00 174.97 2cr0 n ASN 10 N 13.04 -2.22 -1.69 6.66 0.23 -1.24 -4.81 115.26 125.23 2cr0 n ASN 10 Ca 0.24 -0.66 -0.04 0.00 -0.53 0.00 0.00 54.58 53.59 2cr0 n ASN 10 Cb 0.51 -0.50 -0.06 0.00 -2.08 0.00 0.00 39.78 37.65 2cr0 n ASN 10 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2cr0 n LEU 11 N 0.00 5.19 -1.48 -4.53 4.77 -1.26 -3.44 117.00 116.25 2cr0 n LEU 11 Ca 0.07 -2.63 -0.05 0.00 -0.03 0.00 0.00 56.01 53.37 2cr0 n LEU 11 Cb 0.29 -1.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 2cr0 n LEU 11 CO 0.20 1.23 0.40 0.61 -1.33 0.00 0.00 177.39 178.49 2cr0 n GLY 12 N 1.87 0.94 2.91 -0.72 0.00 -1.26 -4.98 105.19 103.95 2cr0 n GLY 12 Ca 0.15 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2cr0 n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cr0 n ASN 13 N -0.37 -3.00 0.00 1.61 3.02 -1.22 -2.80 115.26 112.51 2cr0 n ASN 13 Ca -0.23 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2cr0 n ASN 13 Cb 0.77 -2.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.39 2cr0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr0 n GLY 14 N -0.88 5.27 3.03 7.41 0.00 -1.26 -4.26 105.19 114.51 2cr0 n GLY 14 Ca -0.05 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 2cr0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cr0 s ALA 15 N -2.00 -0.59 -0.66 4.61 0.00 -1.12 -3.63 121.76 118.38 2cr0 s ALA 15 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.71 2cr0 s ALA 15 Cb 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.25 2cr0 s ALA 15 CO 0.00 -0.52 1.03 0.34 0.00 0.00 0.00 175.76 176.61 2cr0 s ASP 16 N 2.11 6.20 0.09 0.00 -1.08 -0.29 -3.76 116.67 119.94 2cr0 s ASP 16 Ca -0.02 -0.74 0.01 0.00 -0.52 0.00 0.00 52.55 51.28 2cr0 s ASP 16 Cb -0.11 -2.45 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 2cr0 s ASP 16 CO -0.09 -1.49 0.24 -0.76 0.52 0.00 0.00 175.17 173.59 2cr0 s LEU 17 N 4.41 4.35 0.54 -1.34 1.43 -0.95 -4.26 118.68 122.87 2cr0 s LEU 17 Ca 0.27 0.24 0.32 0.00 -1.03 0.00 0.00 54.13 53.93 2cr0 s LEU 17 Cb -0.14 -2.95 1.35 0.00 0.03 0.00 0.00 46.19 44.48 2cr0 s LEU 17 CO 0.13 0.12 1.98 1.55 0.23 0.00 0.00 176.35 180.37 2cr0 h PRO 18 N 2.72 0.00 0.04 1.29 0.13 -1.95 -3.01 132.00 131.23 2cr0 h PRO 18 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 2cr0 h PRO 18 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2cr0 h PRO 18 CO 0.73 0.04 -1.76 -2.95 -0.23 0.00 0.00 178.00 173.84 2cr0 h ASN 19 N 0.00 0.14 -4.70 1.44 7.08 -1.97 -3.49 115.58 114.07 2cr0 h ASN 19 Ca -0.00 -0.29 0.18 0.00 -3.08 0.00 0.00 56.30 53.11 2cr0 h ASN 19 Cb 0.52 -0.04 -0.15 0.00 -2.08 0.00 0.00 38.32 36.56 2cr0 h ASN 19 CO 0.01 1.26 0.62 -0.72 -2.08 0.00 0.00 177.43 176.52 2cr0 s TYR 20 N -2.59 -0.22 -0.09 4.14 -0.85 -1.13 -4.30 117.35 112.30 2cr0 s TYR 20 Ca -0.10 0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.59 2cr0 s TYR 20 Cb 0.08 0.54 -0.00 0.00 0.38 0.00 0.00 41.96 42.96 2cr0 s TYR 20 CO 0.81 -0.45 -0.24 -0.98 -1.52 0.00 0.00 175.55 173.17 2cr0 s ARG 21 N -2.86 2.97 -0.00 -3.49 1.70 -0.78 -2.23 118.95 114.26 2cr0 s ARG 21 Ca 0.08 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2cr0 s ARG 21 Cb -0.01 -2.27 0.00 0.00 -0.57 0.00 0.00 34.95 32.11 2cr0 s ARG 21 CO -0.06 0.21 0.00 1.67 -1.08 0.00 0.00 175.30 176.04 2cr0 s TRP 22 N 0.28 0.04 0.44 5.89 1.48 -1.25 -0.72 118.94 125.09 2cr0 s TRP 22 Ca -0.17 0.01 0.06 0.00 -1.06 0.00 0.00 56.10 54.94 2cr0 s TRP 22 Cb -0.17 -0.05 -0.05 0.00 -1.16 0.00 0.00 33.47 32.03 2cr0 s TRP 22 CO 0.08 -0.01 0.07 0.95 -4.06 0.00 0.00 176.95 173.98 2cr0 s THR 23 N 0.15 1.90 -0.16 0.66 -4.23 0.20 -2.81 115.64 111.35 2cr0 s THR 23 Ca -0.01 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.47 2cr0 s THR 23 Cb -0.02 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 71.07 2cr0 s THR 23 CO -0.00 0.00 0.42 0.00 -0.54 0.00 0.00 174.62 174.49 2cr0 s GLN 24 N -3.82 0.47 0.22 3.99 -2.07 -1.12 -1.07 119.66 116.26 2cr0 s GLN 24 Ca 0.31 0.61 0.04 0.00 -1.82 0.00 0.00 55.36 54.50 2cr0 s GLN 24 Cb 0.06 0.20 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 2cr0 s GLN 24 CO 0.17 -0.07 0.14 0.25 -1.32 0.00 0.00 175.29 174.46 2cr0 n THR 25 N 3.05 0.00 0.75 3.63 -2.24 -0.79 -4.54 114.28 114.14 2cr0 n THR 25 Ca -0.15 -1.49 -0.00 0.00 -2.27 0.00 0.00 64.05 60.14 2cr0 n THR 25 Cb 0.57 0.66 0.04 0.00 -2.10 0.00 0.00 70.33 69.50 2cr0 n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2cr0 n LEU 26 N 0.00 2.24 0.00 3.22 4.77 -1.26 -3.75 117.00 122.21 2cr0 n LEU 26 Ca 0.02 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2cr0 n LEU 26 Cb 0.37 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2cr0 n LEU 26 CO 0.19 0.39 -0.17 0.00 -1.33 0.00 0.00 177.39 176.47 2cr0 n ALA 27 N 0.15 2.76 -3.80 -1.18 0.00 -1.25 -4.16 120.51 113.02 2cr0 n ALA 27 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2cr0 n ALA 27 Cb 0.46 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2cr0 n ALA 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cr0 s GLU 28 N -1.84 1.28 -0.10 0.00 1.03 -1.25 -3.83 118.70 114.00 2cr0 s GLU 28 Ca 0.00 -0.77 -0.00 0.00 0.03 0.00 0.00 54.97 54.23 2cr0 s GLU 28 Cb 0.00 0.40 -0.03 0.00 -0.80 0.00 0.00 34.13 33.70 2cr0 s GLU 28 CO 0.00 -0.59 -0.08 -1.17 -1.33 0.00 0.00 175.26 172.09 2cr0 s LEU 29 N -3.12 3.08 -0.10 1.83 0.20 0.63 -1.89 118.68 119.32 2cr0 s LEU 29 Ca 0.16 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.87 2cr0 s LEU 29 Cb -0.02 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 2cr0 s LEU 29 CO 0.04 0.28 -0.10 -1.81 -0.29 0.00 0.00 176.35 174.47 2cr0 s ASP 30 N -0.33 4.37 0.00 3.68 1.01 -0.23 -1.51 116.67 123.67 2cr0 s ASP 30 Ca 0.04 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.17 2cr0 s ASP 30 Cb -0.13 -1.32 -0.01 0.00 1.01 0.00 0.00 42.92 42.48 2cr0 s ASP 30 CO 0.02 0.27 -0.09 -0.22 0.21 0.00 0.00 175.17 175.37 2cr0 s LEU 31 N -0.29 2.05 -0.15 1.23 2.96 -1.19 0.59 118.68 123.88 2cr0 s LEU 31 Ca 0.03 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2cr0 s LEU 31 Cb -0.13 -0.42 0.06 0.00 0.50 0.00 0.00 46.19 46.21 2cr0 s LEU 31 CO 0.03 0.07 0.13 0.00 -1.32 0.00 0.00 176.35 175.25 2cr0 s ALA 32 N -0.35 0.16 -0.55 5.97 0.00 0.10 -1.78 121.76 125.32 2cr0 s ALA 32 Ca 0.02 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.85 2cr0 s ALA 32 Cb -0.04 -1.02 0.14 0.00 0.00 0.00 0.00 23.12 22.20 2cr0 s ALA 32 CO -0.00 -1.01 0.47 0.08 0.00 0.00 0.00 175.76 175.30 2cr0 s VAL 33 N 2.21 4.87 0.05 0.00 1.01 -1.04 -1.87 120.40 125.63 2cr0 s VAL 33 Ca 0.04 -1.73 -0.31 0.00 0.00 0.00 0.00 61.98 59.98 2cr0 s VAL 33 Cb -0.15 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 2cr0 s VAL 33 CO -0.09 -0.85 1.41 -2.16 0.00 0.00 0.00 175.10 173.41 2cr0 s PRO 34 N 1.34 4.30 0.14 2.72 0.04 -1.26 -2.52 135.00 139.75 2cr0 s PRO 34 Ca 0.06 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.20 2cr0 s PRO 34 Cb -0.27 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2cr0 s PRO 34 CO 0.00 -0.52 -0.06 -0.06 0.04 0.00 0.00 177.00 176.40 2cr0 s PHE 35 N 1.87 2.76 -0.50 0.56 0.08 -0.83 -4.94 117.98 116.98 2cr0 s PHE 35 Ca 0.65 -0.16 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 2cr0 s PHE 35 Cb -0.34 -1.39 0.17 0.00 -0.57 0.00 0.00 43.02 40.89 2cr0 s PHE 35 CO 0.28 0.48 2.44 2.89 -0.10 0.00 0.00 175.22 181.21 2cr0 n ARG 36 N 0.29 2.35 -3.36 0.44 1.85 -1.26 -4.81 116.66 112.17 2cr0 n ARG 36 Ca -0.12 -2.43 -0.34 0.00 -1.00 0.00 0.00 57.85 53.97 2cr0 n ARG 36 Cb 0.54 -2.06 -0.06 0.00 -1.05 0.00 0.00 32.46 29.83 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2cr0 s VAL 37 N -2.90 4.87 -0.30 8.89 -7.23 -1.26 -4.99 120.40 117.48 2cr0 s VAL 37 Ca 0.52 0.71 0.16 0.00 -1.81 0.00 0.00 61.98 61.56 2cr0 s VAL 37 Cb 0.37 -3.68 0.60 0.00 0.56 0.00 0.00 36.38 34.23 2cr0 s VAL 37 CO -0.19 0.09 1.50 -0.24 -0.31 0.00 0.00 175.10 175.96 2cr0 n SER 38 N 0.34 4.33 -2.11 4.85 2.88 -1.26 -4.94 113.62 117.71 2cr0 n SER 38 Ca -0.02 -2.90 -0.09 0.00 -1.33 0.00 0.00 58.87 54.53 2cr0 n SER 38 Cb 0.52 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.39 2cr0 n SER 38 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2cr0 n PHE 39 N -0.07 -0.77 -3.08 0.66 -1.74 -1.26 -5.14 117.46 106.05 2cr0 n PHE 39 Ca 0.23 -1.35 -0.40 0.00 -0.56 0.00 0.00 57.45 55.37 2cr0 n PHE 39 Cb 0.94 0.24 -0.05 0.00 1.52 0.00 0.00 39.48 42.13 2cr0 n PHE 39 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2cr0 s ARG 40 N -2.54 4.40 -0.09 3.97 6.06 -1.26 -4.46 118.95 125.03 2cr0 s ARG 40 Ca 0.18 0.80 -0.20 0.00 -2.50 0.00 0.00 55.73 54.01 2cr0 s ARG 40 Cb 0.00 -3.46 -0.04 0.00 0.06 0.00 0.00 34.95 31.51 2cr0 s ARG 40 CO 0.13 0.04 0.55 -0.51 -2.50 0.00 0.00 175.30 173.01 2cr0 s LEU 41 N 0.91 4.30 -0.04 -0.88 1.43 -1.02 -5.00 118.68 118.39 2cr0 s LEU 41 Ca 0.35 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 54.37 2cr0 s LEU 41 Cb -0.17 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2cr0 s LEU 41 CO 0.16 -0.02 0.16 -0.54 0.23 0.00 0.00 176.35 176.34 2cr0 s LYS 42 N 0.61 3.40 0.43 1.70 -0.14 -1.26 -4.73 119.74 119.74 2cr0 s LYS 42 Ca 0.30 -0.29 0.30 0.00 -1.36 0.00 0.00 55.97 54.92 2cr0 s LYS 42 Cb -0.16 -3.09 1.46 0.00 -1.68 0.00 0.00 37.83 34.36 2cr0 s LYS 42 CO 0.13 0.70 1.57 0.41 -0.76 0.00 0.00 175.35 177.40 2cr0 n GLY 43 N 1.26 -0.82 0.19 -3.33 0.00 -1.26 0.17 105.19 101.39 2cr0 n GLY 43 Ca -0.14 0.77 -0.16 0.00 0.00 0.00 0.00 46.02 46.50 2cr0 n GLY 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cr0 h LYS 44 N 0.00 0.59 -0.92 1.61 2.10 -2.03 -3.24 116.57 114.68 2cr0 h LYS 44 Ca 0.88 -0.58 0.06 0.00 -2.00 0.00 0.00 60.65 59.01 2cr0 h LYS 44 Cb 2.71 0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 34.13 2cr0 h LYS 44 CO -0.54 1.20 0.58 -0.44 -2.00 0.00 0.00 179.45 178.25 2cr0 h ASP 45 N 0.36 0.93 -2.74 7.07 5.19 0.14 -3.43 116.42 123.94 2cr0 h ASP 45 Ca -0.08 0.01 -0.45 0.00 -0.62 0.00 0.00 57.03 55.89 2cr0 h ASP 45 Cb 1.54 -0.19 0.04 0.00 0.18 0.00 0.00 39.33 40.91 2cr0 h ASP 45 CO 0.17 0.60 -0.03 0.68 -3.12 0.00 0.00 179.24 177.54 2cr0 s VAL 46 N -6.06 3.26 -0.17 -1.35 -7.23 -0.79 -2.85 120.40 105.21 2cr0 s VAL 46 Ca -0.13 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2cr0 s VAL 46 Cb 0.19 -3.23 0.06 0.00 0.56 0.00 0.00 36.38 33.96 2cr0 s VAL 46 CO 0.80 -0.17 0.05 -0.69 -0.31 0.00 0.00 175.10 174.78 2cr0 s VAL 47 N -2.72 0.30 -0.12 1.32 1.01 0.81 -4.63 120.40 116.37 2cr0 s VAL 47 Ca 0.54 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 2cr0 s VAL 47 Cb -0.10 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2cr0 s VAL 47 CO 0.39 -0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 174.55 2cr0 s VAL 48 N 1.97 1.04 -0.35 2.92 1.01 -1.26 -1.46 120.40 124.27 2cr0 s VAL 48 Ca 0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 2cr0 s VAL 48 Cb -0.16 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.19 2cr0 s VAL 48 CO -0.08 0.35 0.12 -0.62 0.00 0.00 0.00 175.10 174.87 2cr0 s ASP 49 N 1.70 5.36 -0.30 3.32 -1.08 -0.37 -4.94 116.67 120.36 2cr0 s ASP 49 Ca 0.05 -1.19 -0.11 0.00 -0.52 0.00 0.00 52.55 50.77 2cr0 s ASP 49 Cb -0.13 -1.88 -0.04 0.00 -1.46 0.00 0.00 42.92 39.41 2cr0 s ASP 49 CO -0.08 -0.35 0.20 -0.63 0.52 0.00 0.00 175.17 174.82 2cr0 s ILE 50 N 1.40 5.21 0.43 4.11 1.01 -1.26 -0.58 121.20 131.52 2cr0 s ILE 50 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.67 2cr0 s ILE 50 Cb -0.20 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2cr0 s ILE 50 CO 0.03 0.16 0.03 -1.10 0.00 0.00 0.00 174.94 174.05 2cr0 s GLN 51 N 1.73 1.98 0.10 2.79 -1.52 0.24 -4.98 119.66 120.01 2cr0 s GLN 51 Ca 0.07 -2.18 -0.29 0.00 -1.95 0.00 0.00 55.36 51.01 2cr0 s GLN 51 Cb -0.16 -1.37 -0.11 0.00 -0.22 0.00 0.00 33.01 31.15 2cr0 s GLN 51 CO 0.10 -0.22 1.62 -0.09 -0.25 0.00 0.00 175.29 176.46 2cr0 h ARG 52 N 1.70 -0.59 -0.62 2.91 9.65 -1.98 -3.26 114.38 122.19 2cr0 h ARG 52 Ca -0.43 0.04 -0.44 0.00 -1.10 0.00 0.00 59.98 58.05 2cr0 h ARG 52 Cb 1.27 0.13 -0.40 0.00 -1.39 0.00 0.00 29.97 29.59 2cr0 h ARG 52 CO 0.74 -0.39 -0.87 -2.13 2.80 0.00 0.00 179.97 180.13 2cr0 n ARG 53 N -5.42 3.02 -3.63 0.20 0.63 -1.26 -1.19 116.66 109.01 2cr0 n ARG 53 Ca -0.08 -3.93 -0.11 0.00 -0.92 0.00 0.00 57.85 52.80 2cr0 n ARG 53 Cb 0.33 -2.05 -0.07 0.00 0.45 0.00 0.00 32.46 31.12 2cr0 n ARG 53 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2cr0 s HIS 54 N -3.55 -0.79 0.02 -0.14 2.46 -1.23 -2.35 115.29 109.71 2cr0 s HIS 54 Ca 0.45 1.82 0.02 0.00 0.47 0.00 0.00 55.06 57.81 2cr0 s HIS 54 Cb 0.39 0.37 -0.02 0.00 -0.13 0.00 0.00 32.58 33.19 2cr0 s HIS 54 CO 0.01 -0.38 -0.06 -1.17 -2.47 0.00 0.00 174.74 170.67 2cr0 s LEU 55 N 0.67 2.16 -0.00 8.88 2.96 -1.25 0.81 118.68 132.91 2cr0 s LEU 55 Ca -0.02 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2cr0 s LEU 55 Cb -0.05 -0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.49 2cr0 s LEU 55 CO -0.05 -0.12 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.26 2cr0 s ARG 56 N -0.99 0.03 -0.07 1.98 3.52 0.26 -3.81 118.95 119.86 2cr0 s ARG 56 Ca -0.06 0.01 -0.03 0.00 -0.13 0.00 0.00 55.73 55.51 2cr0 s ARG 56 Cb -0.07 -0.05 0.04 0.00 -1.56 0.00 0.00 34.95 33.31 2cr0 s ARG 56 CO 0.00 -0.01 0.16 0.08 -0.81 0.00 0.00 175.30 174.73 2cr0 s VAL 57 N 0.10 -0.04 -1.81 7.11 1.01 -0.84 -1.23 120.40 124.69 2cr0 s VAL 57 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2cr0 s VAL 57 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.10 2cr0 s VAL 57 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2cr0 n GLY 58 N 4.09 -0.78 3.44 4.51 0.00 -0.54 -0.93 105.19 115.00 2cr0 n GLY 58 Ca -0.25 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 2cr0 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cr0 s LEU 59 N 0.00 2.59 0.29 0.99 1.43 -1.26 -0.13 118.68 122.59 2cr0 s LEU 59 Ca 0.00 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.52 2cr0 s LEU 59 Cb 0.00 -1.51 -0.14 0.00 0.03 0.00 0.00 46.19 44.56 2cr0 s LEU 59 CO 0.00 0.31 0.79 1.17 0.23 0.00 0.00 176.35 178.85 2cr0 n LYS 60 N 2.07 0.84 0.00 1.70 0.00 -1.13 -1.47 118.16 120.17 2cr0 n LYS 60 Ca -0.17 0.30 0.00 0.00 0.00 0.00 0.00 58.31 58.44 2cr0 n LYS 60 Cb 0.52 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.99 2cr0 n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cr0 n GLY 61 N 1.53 1.12 3.79 3.14 0.00 -1.26 -4.92 105.19 108.60 2cr0 n GLY 61 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2cr0 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cr0 s GLN 62 N 0.00 2.29 0.35 1.61 1.11 -0.54 -5.01 119.66 119.47 2cr0 s GLN 62 Ca 0.00 0.86 -0.27 0.00 0.01 0.00 0.00 55.36 55.95 2cr0 s GLN 62 Cb 0.00 -1.92 -0.09 0.00 -1.01 0.00 0.00 33.01 29.98 2cr0 s GLN 62 CO 0.00 -1.53 1.21 -1.25 0.01 0.00 0.00 175.29 173.73 2cr0 s PRO 63 N -5.05 4.28 -0.09 2.91 0.04 -1.26 -4.50 135.00 131.33 2cr0 s PRO 63 Ca 0.60 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 2cr0 s PRO 63 Cb -0.15 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2cr0 s PRO 63 CO 0.55 -0.17 1.52 -1.25 0.04 0.00 0.00 177.00 177.70 2cr0 s PRO 64 N -1.93 4.19 0.20 0.56 0.04 -1.26 -4.50 135.00 132.30 2cr0 s PRO 64 Ca 0.51 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 63.46 2cr0 s PRO 64 Cb -0.35 -3.91 0.13 0.00 0.04 0.00 0.00 34.50 30.41 2cr0 s PRO 64 CO 0.45 -0.81 1.80 0.28 0.04 0.00 0.00 177.00 178.76 2cr0 h VAL 65 N 5.56 1.23 -3.78 -0.36 2.07 -1.41 -3.39 116.25 116.17 2cr0 h VAL 65 Ca -0.35 -0.61 -0.68 0.00 0.82 0.00 0.00 66.70 65.89 2cr0 h VAL 65 Cb 1.15 0.33 -0.36 0.00 -1.52 0.00 0.00 31.29 30.89 2cr0 h VAL 65 CO 0.96 0.26 -0.73 -0.69 0.02 0.00 0.00 177.57 177.39 2cr0 s VAL 66 N -5.76 2.57 -0.22 2.57 1.01 -0.99 -5.01 120.40 114.56 2cr0 s VAL 66 Ca -0.13 -1.69 -0.04 0.00 0.00 0.00 0.00 61.98 60.12 2cr0 s VAL 66 Cb 0.14 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 34.03 2cr0 s VAL 66 CO 0.80 -0.20 0.14 1.51 0.00 0.00 0.00 175.10 177.35 2cr0 s ASP 67 N 1.18 2.50 -0.23 3.32 -4.77 -1.26 -1.99 116.67 115.42 2cr0 s ASP 67 Ca -0.03 -0.76 -0.33 0.00 -3.30 0.00 0.00 52.55 48.13 2cr0 s ASP 67 Cb -0.20 -0.13 0.16 0.00 -1.09 0.00 0.00 42.92 41.66 2cr0 s ASP 67 CO -0.04 -0.38 1.26 -0.83 0.70 0.00 0.00 175.17 175.88 2cr0 s GLY 68 N 2.17 -0.14 0.08 2.12 0.00 -1.25 -4.90 107.32 105.40 2cr0 s GLY 68 Ca 0.05 2.14 -0.31 0.00 0.00 0.00 0.00 44.72 46.61 2cr0 s GLY 68 CO -0.19 0.82 1.57 1.85 0.00 0.00 0.00 173.10 177.15 2cr0 s GLU 69 N -1.69 4.23 0.43 2.90 2.12 -1.26 -3.82 118.70 121.60 2cr0 s GLU 69 Ca 0.08 2.25 -0.26 0.00 0.36 0.00 0.00 54.97 57.40 2cr0 s GLU 69 Cb -0.01 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.81 2cr0 s GLU 69 CO -0.05 -0.66 1.45 -0.51 -0.54 0.00 0.00 175.26 174.95 2cr0 s LEU 70 N 2.20 4.16 0.28 2.70 1.43 -0.99 -1.34 118.68 127.12 2cr0 s LEU 70 Ca 0.71 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.77 2cr0 s LEU 70 Cb -0.39 -3.87 0.50 0.00 0.03 0.00 0.00 46.19 42.46 2cr0 s LEU 70 CO 0.31 -1.11 1.88 0.22 0.23 0.00 0.00 176.35 177.87 2cr0 h TYR 71 N 2.48 1.13 -4.72 0.29 3.20 -1.78 -3.45 116.97 114.12 2cr0 h TYR 71 Ca -0.51 0.03 -0.35 0.00 3.14 0.00 0.00 58.73 61.04 2cr0 h TYR 71 Cb 1.26 -0.37 -0.14 0.00 1.54 0.00 0.00 36.73 39.02 2cr0 h TYR 71 CO 0.51 0.54 -0.54 1.21 -1.64 0.00 0.00 178.16 178.24 2cr0 s ASN 72 N -5.87 0.89 0.49 -2.11 3.04 -1.26 -5.06 114.94 105.05 2cr0 s ASN 72 Ca -0.12 -1.56 -0.21 0.00 0.04 0.00 0.00 52.86 51.01 2cr0 s ASN 72 Cb 0.21 0.47 -0.08 0.00 -1.54 0.00 0.00 41.25 40.31 2cr0 s ASN 72 CO 0.81 -0.96 1.09 -1.61 -3.04 0.00 0.00 177.10 173.39 2cr0 s GLU 73 N -3.80 3.71 -0.05 0.43 2.02 -1.26 -4.73 118.70 115.02 2cr0 s GLU 73 Ca 0.40 1.54 -0.02 0.00 0.02 0.00 0.00 54.97 56.90 2cr0 s GLU 73 Cb 0.05 -2.19 0.03 0.00 0.10 0.00 0.00 34.13 32.12 2cr0 s GLU 73 CO 0.20 -0.54 0.09 0.14 0.02 0.00 0.00 175.26 175.16 2cr0 s VAL 74 N -1.79 -0.14 -0.90 2.63 -7.23 -0.33 -3.44 120.40 109.20 2cr0 s VAL 74 Ca 0.67 0.36 -0.22 0.00 -1.81 0.00 0.00 61.98 60.97 2cr0 s VAL 74 Cb -0.22 -0.18 -0.23 0.00 0.56 0.00 0.00 36.38 36.31 2cr0 s VAL 74 CO 0.26 0.15 2.45 1.17 -0.31 0.00 0.00 175.10 178.81 2cr0 n LYS 75 N 5.04 0.21 -0.06 4.82 4.81 0.08 -4.51 118.16 128.56 2cr0 n LYS 75 Ca -0.09 -0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.10 2cr0 n LYS 75 Cb 0.50 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 2cr0 n LYS 75 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2cr0 h VAL 76 N 7.59 1.28 -0.12 3.15 3.04 -1.88 0.34 116.25 129.66 2cr0 h VAL 76 Ca -0.04 -1.79 0.03 0.00 -1.01 0.00 0.00 66.70 63.90 2cr0 h VAL 76 Cb 1.21 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 32.19 2cr0 h VAL 76 CO 1.39 0.58 0.16 1.05 -1.01 0.00 0.00 177.57 179.74 2cr0 h GLU 77 N 0.62 0.00 0.00 4.17 4.11 -1.95 -2.72 114.58 118.81 2cr0 h GLU 77 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 2cr0 h GLU 77 Cb 1.19 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2cr0 h GLU 77 CO 0.13 0.00 -2.22 0.39 0.07 0.00 0.00 179.01 177.37 2cr0 n GLU 78 N -3.64 0.54 -1.44 1.06 -0.58 -1.12 -5.01 120.64 110.45 2cr0 n GLU 78 Ca 0.00 0.13 -0.40 0.00 -0.42 0.00 0.00 57.16 56.47 2cr0 n GLU 78 Cb 0.26 -1.43 0.02 0.00 -0.57 0.00 0.00 31.44 29.73 2cr0 n GLU 78 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2cr0 n SER 79 N -3.14 -1.26 -3.55 1.62 7.64 0.12 -4.97 113.62 110.08 2cr0 n SER 79 Ca -0.38 0.80 -0.16 0.00 1.01 0.00 0.00 58.87 60.14 2cr0 n SER 79 Cb 0.90 -1.11 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr0 s SER 80 N -1.06 -0.59 0.39 6.43 0.01 -0.83 -4.92 113.70 113.13 2cr0 s SER 80 Ca 0.65 0.69 0.06 0.00 1.31 0.00 0.00 55.95 58.67 2cr0 s SER 80 Cb -0.51 0.55 -0.08 0.00 0.21 0.00 0.00 66.02 66.19 2cr0 s SER 80 CO 0.57 -0.51 0.02 -1.66 0.41 0.00 0.00 173.24 172.07 2cr0 s TRP 81 N -1.03 2.42 0.19 2.43 1.48 -1.26 -0.23 118.94 122.95 2cr0 s TRP 81 Ca -0.08 -0.72 -0.21 0.00 -1.06 0.00 0.00 56.10 54.04 2cr0 s TRP 81 Cb -0.01 -1.69 0.05 0.00 -1.16 0.00 0.00 33.47 30.66 2cr0 s TRP 81 CO 0.07 0.38 0.60 -0.48 -4.06 0.00 0.00 176.95 173.45 2cr0 s LEU 82 N -3.67 -0.29 -0.22 -4.66 0.05 0.13 -4.96 118.68 105.05 2cr0 s LEU 82 Ca 0.35 -0.27 -0.14 0.00 0.05 0.00 0.00 54.13 54.12 2cr0 s LEU 82 Cb 0.10 2.48 -0.04 0.00 -2.05 0.00 0.00 46.19 46.68 2cr0 s LEU 82 CO 0.18 -1.07 0.30 -0.63 -0.55 0.00 0.00 176.35 174.58 2cr0 s ILE 83 N -3.82 5.26 -0.24 1.48 1.01 -1.26 -1.40 121.20 122.23 2cr0 s ILE 83 Ca 0.05 0.50 -0.11 0.00 0.00 0.00 0.00 60.65 61.09 2cr0 s ILE 83 Cb -0.02 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2cr0 s ILE 83 CO -0.06 0.28 0.18 -1.61 0.00 0.00 0.00 174.94 173.73 2cr0 s GLU 84 N 1.25 4.07 -1.75 2.79 0.41 0.11 -4.44 118.70 121.14 2cr0 s GLU 84 Ca 0.14 -0.24 -0.18 0.00 -0.41 0.00 0.00 54.97 54.29 2cr0 s GLU 84 Cb -0.14 -3.55 0.17 0.00 -1.78 0.00 0.00 34.13 28.83 2cr0 s GLU 84 CO 0.07 0.04 0.61 -0.25 -0.49 0.00 0.00 175.26 175.23 2cr0 n ASP 85 N 4.36 -2.06 -2.61 -0.19 8.00 -1.26 -0.63 116.55 122.15 2cr0 n ASP 85 Ca -0.14 -1.14 -0.13 0.00 0.71 0.00 0.00 54.79 54.09 2cr0 n ASP 85 Cb 0.52 -2.17 -0.02 0.00 -0.02 0.00 0.00 41.12 39.43 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cr0 n GLY 86 N -1.41 -0.32 0.00 0.44 0.00 -1.26 -4.46 105.19 98.18 2cr0 n GLY 86 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2cr0 n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cr0 n LYS 87 N -2.25 0.58 -4.42 1.61 2.85 0.20 -2.42 118.16 114.31 2cr0 n LYS 87 Ca 0.03 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.03 2cr0 n LYS 87 Cb 0.33 -0.63 -0.11 0.00 -0.65 0.00 0.00 35.03 33.98 2cr0 n LYS 87 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2cr0 s VAL 88 N -1.25 2.50 -0.32 0.58 1.01 -0.09 -1.96 120.40 120.87 2cr0 s VAL 88 Ca 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 61.98 59.94 2cr0 s VAL 88 Cb 0.00 -2.23 0.09 0.00 0.00 0.00 0.00 36.38 34.24 2cr0 s VAL 88 CO 0.00 -0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.26 2cr0 s VAL 89 N -1.88 2.07 0.14 2.92 1.01 -1.05 0.08 120.40 123.70 2cr0 s VAL 89 Ca 0.24 -2.12 -0.15 0.00 0.00 0.00 0.00 61.98 59.94 2cr0 s VAL 89 Cb -0.07 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2cr0 s VAL 89 CO 0.12 -0.53 0.56 0.42 0.00 0.00 0.00 175.10 175.67 2cr0 s THR 90 N 1.03 4.82 -0.16 3.92 -4.23 -0.49 -2.50 115.64 118.02 2cr0 s THR 90 Ca 0.08 0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 61.48 2cr0 s THR 90 Cb -0.19 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 69.94 2cr0 s THR 90 CO -0.10 0.30 0.02 -0.69 -0.54 0.00 0.00 174.62 173.61 2cr0 s VAL 91 N -1.40 0.57 -0.28 2.29 1.01 -0.73 -0.69 120.40 121.15 2cr0 s VAL 91 Ca 0.36 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 2cr0 s VAL 91 Cb -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2cr0 s VAL 91 CO 0.19 -0.07 0.91 -2.28 0.00 0.00 0.00 175.10 173.85 2cr0 s HIS 92 N 1.85 3.24 -0.23 5.22 2.46 0.68 -3.14 115.29 125.37 2cr0 s HIS 92 Ca 0.01 1.09 -0.04 0.00 0.47 0.00 0.00 55.06 56.58 2cr0 s HIS 92 Cb -0.16 -3.31 -0.01 0.00 -0.13 0.00 0.00 32.58 28.98 2cr0 s HIS 92 CO -0.07 -0.56 -0.02 -0.51 -2.47 0.00 0.00 174.74 171.10 2cr0 s LEU 93 N 3.14 3.03 -0.14 8.88 1.43 -0.57 -1.97 118.68 132.48 2cr0 s LEU 93 Ca 0.38 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.82 2cr0 s LEU 93 Cb -0.14 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2cr0 s LEU 93 CO 0.11 -0.04 0.82 -0.70 0.23 0.00 0.00 176.35 176.77 2cr0 s GLU 94 N 1.49 4.34 -0.33 1.70 2.56 -1.26 -0.27 118.70 126.93 2cr0 s GLU 94 Ca 0.05 1.02 -0.27 0.00 0.00 0.00 0.00 54.97 55.77 2cr0 s GLU 94 Cb -0.15 -3.55 0.01 0.00 2.00 0.00 0.00 34.13 32.45 2cr0 s GLU 94 CO -0.02 -0.24 0.99 0.15 -0.56 0.00 0.00 175.26 175.57 2cr0 s LYS 95 N 1.85 3.98 0.32 4.30 1.02 -1.25 -0.74 119.74 129.22 2cr0 s LYS 95 Ca 0.39 0.85 0.10 0.00 0.02 0.00 0.00 55.97 57.32 2cr0 s LYS 95 Cb -0.17 -3.76 0.95 0.00 -0.52 0.00 0.00 37.83 34.33 2cr0 s LYS 95 CO 0.14 -0.88 1.65 0.82 -0.92 0.00 0.00 175.35 176.16 2cr0 h ILE 96 N 5.74 0.28 -3.15 2.17 1.08 -1.91 -2.83 117.51 118.88 2cr0 h ILE 96 Ca -0.22 -0.09 -0.66 0.00 -0.39 0.00 0.00 64.86 63.50 2cr0 h ILE 96 Cb 1.07 0.00 -0.39 0.00 -3.07 0.00 0.00 36.82 34.44 2cr0 h ILE 96 CO 1.00 0.05 -0.33 0.59 -0.69 0.00 0.00 178.15 178.77 2cr0 n ASN 97 N -5.14 3.67 -0.46 1.72 3.02 -1.26 -4.91 115.26 111.89 2cr0 n ASN 97 Ca 0.28 -3.19 0.42 0.00 -0.03 0.00 0.00 54.58 52.05 2cr0 n ASN 97 Cb 0.88 -0.90 0.73 0.00 -0.61 0.00 0.00 39.78 39.88 2cr0 n ASN 97 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2cr0 h LYS 98 N 5.61 0.00 -0.96 3.52 1.57 -1.74 1.48 116.57 126.05 2cr0 h LYS 98 Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2cr0 h LYS 98 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 2cr0 h LYS 98 CO 0.80 0.00 0.06 -1.33 -0.57 0.00 0.00 179.45 178.41 2cr0 n MET 99 N -3.87 1.49 -4.40 3.15 2.81 -1.26 -3.81 117.12 111.23 2cr0 n MET 99 Ca 0.33 -0.58 -0.20 0.00 -1.81 0.00 0.00 57.70 55.44 2cr0 n MET 99 Cb 1.62 -1.44 -0.14 0.00 -0.71 0.00 0.00 33.22 32.55 2cr0 n MET 99 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cr0 s GLU 100 N -0.98 0.90 0.43 0.03 2.56 0.51 -5.12 118.70 117.03 2cr0 s GLU 100 Ca 0.11 -0.58 0.05 0.00 0.00 0.00 0.00 54.97 54.54 2cr0 s GLU 100 Cb 0.08 -0.87 0.01 0.00 2.00 0.00 0.00 34.13 35.35 2cr0 s GLU 100 CO 0.03 0.23 0.61 -1.58 -0.56 0.00 0.00 175.26 173.98 2cr0 s TRP 101 N -0.60 2.94 -0.02 5.30 0.52 -1.26 -4.68 118.94 121.14 2cr0 s TRP 101 Ca 0.02 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 56.01 2cr0 s TRP 101 Cb -0.06 -2.37 -0.01 0.00 -1.15 0.00 0.00 33.47 29.87 2cr0 s TRP 101 CO 0.00 -0.43 -0.20 -1.58 0.02 0.00 0.00 176.95 174.77 2cr0 s TRP 102 N -2.43 1.85 -0.37 -1.98 0.52 -1.26 -5.02 118.94 110.25 2cr0 s TRP 102 Ca 0.52 -0.40 0.23 0.00 0.02 0.00 0.00 56.10 56.48 2cr0 s TRP 102 Cb -0.10 -1.20 0.15 0.00 -1.15 0.00 0.00 33.47 31.17 2cr0 s TRP 102 CO 0.34 -0.07 1.22 -0.91 0.02 0.00 0.00 176.95 177.56 2cr0 h ASN 103 N 5.77 0.00 -5.10 2.95 4.21 -1.96 -3.46 115.58 117.98 2cr0 h ASN 103 Ca -0.37 -0.05 0.27 0.00 1.21 0.00 0.00 56.30 57.36 2cr0 h ASN 103 Cb 1.15 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.20 2cr0 h ASN 103 CO 0.48 0.02 0.77 0.00 -1.29 0.00 0.00 177.43 177.42 2cr0 s ARG 104 N -3.29 0.46 -0.02 0.81 1.70 -1.26 -2.13 118.95 115.21 2cr0 s ARG 104 Ca 0.03 -0.22 -0.21 0.00 -0.47 0.00 0.00 55.73 54.85 2cr0 s ARG 104 Cb 0.10 0.17 -0.14 0.00 -0.57 0.00 0.00 34.95 34.51 2cr0 s ARG 104 CO 0.75 -0.21 0.95 1.25 -1.08 0.00 0.00 175.30 176.96 2cr0 h LEU 105 N 2.00 -0.36 -8.24 -1.89 5.85 -1.92 -3.41 115.31 107.34 2cr0 h LEU 105 Ca -0.21 -0.17 -0.26 0.00 0.84 0.00 0.00 57.88 58.07 2cr0 h LEU 105 Cb 1.19 0.09 -0.19 0.00 0.37 0.00 0.00 40.66 42.12 2cr0 h LEU 105 CO 0.26 0.09 -0.72 0.68 -0.34 0.00 0.00 178.44 178.41 2cr0 s VAL 106 N -3.90 0.58 0.52 1.05 -7.23 -1.26 -3.21 120.40 106.95 2cr0 s VAL 106 Ca -0.12 -1.32 0.37 0.00 -1.81 0.00 0.00 61.98 59.10 2cr0 s VAL 106 Cb 0.01 -0.91 0.57 0.00 0.56 0.00 0.00 36.38 36.61 2cr0 s VAL 106 CO 0.44 -0.52 1.73 0.71 -0.31 0.00 0.00 175.10 177.15 2cr0 h THR 107 N 4.07 0.31 -0.47 5.32 1.35 -1.51 0.66 112.91 122.63 2cr0 h THR 107 Ca -0.36 -0.02 -0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2cr0 h THR 107 Cb 1.19 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2cr0 h THR 107 CO 0.47 0.01 -0.22 -1.28 -0.25 0.00 0.00 175.52 174.26 2cr0 h SER 108 N 0.05 1.00 -4.25 5.36 0.87 -1.90 -3.45 113.55 111.24 2cr0 h SER 108 Ca 0.67 -0.40 -0.51 0.00 -1.23 0.00 0.00 61.79 60.32 2cr0 h SER 108 Cb 2.53 -0.28 0.17 0.00 -0.44 0.00 0.00 62.40 64.38 2cr0 h SER 108 CO -0.08 1.18 0.25 -1.81 -0.53 0.00 0.00 176.83 175.84 2cr0 s ASP 109 N -6.70 3.47 0.97 6.23 1.01 0.23 -5.01 116.67 116.87 2cr0 s ASP 109 Ca -0.11 2.00 -0.12 0.00 0.71 0.00 0.00 52.55 55.03 2cr0 s ASP 109 Cb 0.12 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.69 2cr0 s ASP 109 CO 0.87 -2.72 1.09 -2.16 0.21 0.00 0.00 175.17 172.46 2cr0 s PRO 110 N -4.75 0.69 -0.09 8.23 0.04 -1.26 -4.84 135.00 133.01 2cr0 s PRO 110 Ca 0.65 0.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 2cr0 s PRO 110 Cb -0.20 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2cr0 s PRO 110 CO 0.57 -2.58 0.13 -1.21 0.04 0.00 0.00 177.00 173.95 2cr0 s GLU 111 N -4.95 3.37 -0.03 4.56 2.02 -1.26 -4.60 118.70 117.80 2cr0 s GLU 111 Ca 0.65 -0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.45 2cr0 s GLU 111 Cb -0.18 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 30.94 2cr0 s GLU 111 CO 0.57 0.75 -0.09 0.96 0.02 0.00 0.00 175.26 177.47 2cr0 s ILE 112 N -1.08 0.82 -0.02 -1.63 -4.36 -0.91 -5.00 121.20 109.03 2cr0 s ILE 112 Ca 0.18 -0.37 -0.30 0.00 -0.26 0.00 0.00 60.65 59.90 2cr0 s ILE 112 Cb -0.12 -0.73 -0.07 0.00 1.25 0.00 0.00 42.46 42.79 2cr0 s ILE 112 CO 0.07 0.26 1.74 0.21 0.24 0.00 0.00 174.94 177.46 2cr0 s ASN 113 N 0.28 6.60 -0.17 4.36 2.47 -1.26 -4.72 114.94 122.50 2cr0 s ASN 113 Ca -0.05 2.38 -0.10 0.00 0.42 0.00 0.00 52.86 55.51 2cr0 s ASN 113 Cb -0.10 -2.53 -0.22 0.00 -1.45 0.00 0.00 41.25 36.94 2cr0 s ASN 113 CO 0.01 -0.96 0.22 0.35 -3.72 0.00 0.00 177.10 173.00 2cr0 n THR 114 N 5.45 1.67 -1.41 -5.21 -2.24 -1.26 -4.96 114.28 106.32 2cr0 n THR 114 Ca 0.18 -0.46 -0.47 0.00 -2.27 0.00 0.00 64.05 61.03 2cr0 n THR 114 Cb 0.42 -1.80 -0.02 0.00 -2.10 0.00 0.00 70.33 66.83 2cr0 n THR 114 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2cr0 n LYS 115 N -3.77 0.19 -3.74 -0.78 4.81 -1.26 -4.97 118.16 108.64 2cr0 n LYS 115 Ca -0.35 0.07 -0.09 0.00 -0.87 0.00 0.00 58.31 57.07 2cr0 n LYS 115 Cb 0.93 -1.12 -0.02 0.00 0.02 0.00 0.00 35.03 34.84 2cr0 n LYS 115 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2cr0 s SER 116 N -0.94 -0.34 0.00 3.14 0.15 -1.26 -5.18 113.70 109.27 2cr0 s SER 116 Ca 0.63 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2cr0 s SER 116 Cb -0.86 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2cr0 s SER 116 CO 0.57 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2cr0 n GLY 117 N -0.42 -1.07 0.00 9.45 0.00 -1.26 -4.97 105.19 106.92 2cr0 n GLY 117 Ca -0.08 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.16 2cr0 n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr0 n PRO 118 N 0.00 0.36 -1.51 1.61 -0.04 -1.26 -4.83 135.00 129.34 2cr0 n PRO 118 Ca 0.00 0.07 -0.57 0.00 -0.04 0.00 0.00 63.50 62.95 2cr0 n PRO 118 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2cr0 n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr0 n SER 119 N -1.13 1.71 -4.78 3.54 7.64 -1.26 -4.89 113.62 114.45 2cr0 n SER 119 Ca 0.10 0.78 -0.36 0.00 1.01 0.00 0.00 58.87 60.39 2cr0 n SER 119 Cb 0.08 -1.08 -0.05 0.00 -1.01 0.00 0.00 64.21 62.16 2cr0 n SER 119 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cr0 s SER 120 N 5.30 6.89 0.00 6.43 0.15 -1.26 -5.20 113.70 126.00 2cr0 s SER 120 Ca 1.09 1.97 0.00 0.00 0.70 0.00 0.00 55.95 59.71 2cr0 s SER 120 Cb -1.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 60.55 2cr0 s SER 120 CO 0.63 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.28