#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr0 n SER 2 N 0.00 -0.45 -4.34 1.61 2.88 -1.26 -4.14 113.62 107.92 2cr0 n SER 2 Ca 0.00 1.36 -0.32 0.00 -1.33 0.00 0.00 58.87 58.58 2cr0 n SER 2 Cb 0.00 -0.34 -0.15 0.00 -0.75 0.00 0.00 64.21 62.97 2cr0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr0 s SER 3 N -5.26 3.58 -0.32 -3.46 0.15 -1.26 -5.07 113.70 102.06 2cr0 s SER 3 Ca -0.11 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.05 2cr0 s SER 3 Cb 0.17 -1.16 0.19 0.00 -1.71 0.00 0.00 66.02 63.51 2cr0 s SER 3 CO 0.57 0.23 1.05 -0.83 1.20 0.00 0.00 173.24 175.47 2cr0 s GLY 4 N -0.06 -1.48 -0.02 9.45 0.00 -1.26 -5.06 107.32 108.90 2cr0 s GLY 4 Ca -0.05 1.39 -0.23 0.00 0.00 0.00 0.00 44.72 45.83 2cr0 s GLY 4 CO 0.04 4.29 0.51 -0.56 0.00 0.00 0.00 173.10 177.39 2cr0 s SER 5 N 2.08 -0.44 -0.03 1.64 0.01 -1.26 -5.09 113.70 110.61 2cr0 s SER 5 Ca 0.16 0.37 -0.12 0.00 1.31 0.00 0.00 55.95 57.67 2cr0 s SER 5 Cb 0.03 0.45 -0.07 0.00 0.21 0.00 0.00 66.02 66.63 2cr0 s SER 5 CO -0.16 -0.57 0.56 0.28 0.41 0.00 0.00 173.24 173.75 2cr0 h SER 6 N 3.27 -0.37 -4.04 2.44 0.02 -2.02 -3.42 113.55 109.43 2cr0 h SER 6 Ca -0.29 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2cr0 h SER 6 Cb 1.17 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2cr0 h SER 6 CO 0.40 0.00 -0.35 0.61 -1.14 0.00 0.00 176.83 176.35 2cr0 n GLY 7 N 0.54 -3.66 3.40 -3.77 0.00 -1.26 -4.88 105.19 95.57 2cr0 n GLY 7 Ca -0.05 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 2cr0 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr0 s LYS 8 N -4.94 1.43 -0.10 1.61 0.00 -1.25 -4.87 119.74 111.62 2cr0 s LYS 8 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 55.97 54.25 2cr0 s LYS 8 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 37.83 35.98 2cr0 s LYS 8 CO 0.00 0.41 1.53 -1.25 0.00 0.00 0.00 175.35 176.04 2cr0 s PRO 9 N -2.39 4.17 0.51 1.78 0.04 -1.26 -1.85 135.00 136.00 2cr0 s PRO 9 Ca 0.17 1.98 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2cr0 s PRO 9 Cb -0.09 -3.92 0.10 0.00 0.04 0.00 0.00 34.50 30.64 2cr0 s PRO 9 CO 0.08 -0.84 0.70 0.09 0.04 0.00 0.00 177.00 177.07 2cr0 n ASN 10 N 7.07 0.85 -0.33 6.66 3.02 -1.19 -4.89 115.26 126.45 2cr0 n ASN 10 Ca 0.16 -1.74 0.03 0.00 -0.03 0.00 0.00 54.58 53.01 2cr0 n ASN 10 Cb 0.44 -0.46 0.18 0.00 -0.61 0.00 0.00 39.78 39.32 2cr0 n ASN 10 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2cr0 h LEU 11 N 0.00 0.84 -2.78 3.41 7.12 -1.95 -1.41 115.31 120.55 2cr0 h LEU 11 Ca -0.23 0.03 -0.09 0.00 0.13 0.00 0.00 57.88 57.72 2cr0 h LEU 11 Cb 0.83 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.77 2cr0 h LEU 11 CO 0.24 0.50 0.12 0.61 -0.13 0.00 0.00 178.44 179.78 2cr0 n GLY 12 N -1.34 2.73 3.47 3.75 0.00 -1.26 -4.78 105.19 107.76 2cr0 n GLY 12 Ca 0.15 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 0.75 -1.89 0.00 1.61 3.02 -0.53 -1.32 115.26 116.90 2cr0 n ASN 13 Ca 0.09 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 2cr0 n ASN 13 Cb 0.59 -1.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.09 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 -0.85 2.55 3.14 7.41 0.00 -1.25 -4.34 105.19 111.85 2cr0 n GLY 14 Ca 0.04 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.80 -0.86 -0.37 4.61 0.00 -0.95 -3.19 121.76 118.20 2cr0 s ALA 15 Ca 0.00 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 2cr0 s ALA 15 Cb 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.98 2cr0 s ALA 15 CO 0.00 -0.67 0.96 0.34 0.00 0.00 0.00 175.76 176.39 2cr0 s ASP 16 N 2.45 6.72 0.16 0.00 2.15 -0.77 -3.62 116.67 123.75 2cr0 s ASP 16 Ca -0.01 0.65 0.08 0.00 0.43 0.00 0.00 52.55 53.70 2cr0 s ASP 16 Cb -0.12 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 2cr0 s ASP 16 CO -0.11 -0.89 -0.09 -0.76 -0.17 0.00 0.00 175.17 173.16 2cr0 s LEU 17 N 3.57 3.01 0.53 -1.34 1.43 -0.91 -3.82 118.68 121.15 2cr0 s LEU 17 Ca 0.40 -0.52 0.33 0.00 -1.03 0.00 0.00 54.13 53.31 2cr0 s LEU 17 Cb -0.12 -1.72 1.37 0.00 0.03 0.00 0.00 46.19 45.76 2cr0 s LEU 17 CO 0.19 0.12 1.97 1.55 0.23 0.00 0.00 176.35 180.41 2cr0 h PRO 18 N 3.05 0.00 0.02 1.29 0.13 -1.99 -3.01 132.00 131.48 2cr0 h PRO 18 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 2cr0 h PRO 18 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2cr0 h PRO 18 CO 0.54 0.00 -1.97 0.09 -0.23 0.00 0.00 178.00 176.43 2cr0 n ASN 19 N -3.01 0.98 -3.56 1.44 5.03 -1.26 -5.03 115.26 109.84 2cr0 n ASN 19 Ca 0.01 0.24 -0.06 0.00 0.87 0.00 0.00 54.58 55.64 2cr0 n ASN 19 Cb 0.29 0.01 -0.02 0.00 -1.02 0.00 0.00 39.78 39.04 2cr0 n ASN 19 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2cr0 s TYR 20 N -2.56 -0.21 -0.05 3.10 -0.85 -1.14 -4.30 117.35 111.35 2cr0 s TYR 20 Ca -0.11 0.12 0.06 0.00 -0.52 0.00 0.00 57.07 56.62 2cr0 s TYR 20 Cb 0.07 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.92 2cr0 s TYR 20 CO 0.80 -0.33 -0.23 -0.98 -1.52 0.00 0.00 175.55 173.29 2cr0 s ARG 21 N -2.67 2.44 -0.02 -3.49 1.70 -1.02 -2.15 118.95 113.74 2cr0 s ARG 21 Ca 0.08 -0.88 -0.04 0.00 -0.47 0.00 0.00 55.73 54.42 2cr0 s ARG 21 Cb -0.01 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 2cr0 s ARG 21 CO -0.06 0.46 0.09 1.67 -1.08 0.00 0.00 175.30 176.38 2cr0 s TRP 22 N -0.35 -0.02 0.19 5.89 1.48 -1.24 -1.36 118.94 123.53 2cr0 s TRP 22 Ca 0.02 0.06 0.10 0.00 -1.06 0.00 0.00 56.10 55.23 2cr0 s TRP 22 Cb -0.12 -0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.13 2cr0 s TRP 22 CO 0.02 -0.13 -0.22 0.95 -4.06 0.00 0.00 176.95 173.51 2cr0 s THR 23 N -0.52 2.16 -0.00 0.66 -4.23 -0.19 -2.24 115.64 111.28 2cr0 s THR 23 Ca -0.06 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.47 2cr0 s THR 23 Cb -0.04 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.76 2cr0 s THR 23 CO 0.00 -0.21 -0.11 0.00 -0.54 0.00 0.00 174.62 173.76 2cr0 s GLN 24 N -2.76 0.90 0.36 3.99 -2.07 -0.44 -0.18 119.66 119.46 2cr0 s GLN 24 Ca 0.19 -0.46 0.07 0.00 -1.82 0.00 0.00 55.36 53.34 2cr0 s GLN 24 Cb -0.07 -0.87 -0.03 0.00 -1.09 0.00 0.00 33.01 30.95 2cr0 s GLN 24 CO 0.09 0.23 0.25 0.95 -1.32 0.00 0.00 175.29 175.49 2cr0 s THR 25 N -0.37 0.14 -0.64 3.63 -4.23 -0.72 -4.25 115.64 109.19 2cr0 s THR 25 Ca 0.04 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 2cr0 s THR 25 Cb -0.05 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.44 2cr0 s THR 25 CO -0.00 0.00 0.79 0.18 -0.54 0.00 0.00 174.62 175.05 2cr0 n LEU 26 N -0.73 2.13 0.00 4.79 4.77 -1.26 -3.68 117.00 123.02 2cr0 n LEU 26 Ca 0.04 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2cr0 n LEU 26 Cb 0.63 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2cr0 n LEU 26 CO 0.33 0.38 -0.13 0.00 -1.33 0.00 0.00 177.39 176.63 2cr0 n ALA 27 N 0.15 2.41 -3.79 -1.18 0.00 -1.25 -4.23 120.51 112.61 2cr0 n ALA 27 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 2cr0 n ALA 27 Cb 0.44 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.56 1.12 -0.05 0.00 4.04 -1.24 -3.82 118.70 117.19 2cr0 s GLU 28 Ca 0.00 -0.67 0.05 0.00 0.04 0.00 0.00 54.97 54.39 2cr0 s GLU 28 Cb 0.00 0.35 -0.02 0.00 0.02 0.00 0.00 34.13 34.48 2cr0 s GLU 28 CO 0.00 -0.52 -0.18 -1.17 -1.84 0.00 0.00 175.26 171.55 2cr0 s LEU 29 N -3.15 2.51 0.04 1.83 0.20 0.67 -1.76 118.68 119.02 2cr0 s LEU 29 Ca 0.17 -0.30 0.06 0.00 0.69 0.00 0.00 54.13 54.74 2cr0 s LEU 29 Cb -0.01 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.22 2cr0 s LEU 29 CO 0.03 0.31 -0.11 -0.62 -0.29 0.00 0.00 176.35 175.66 2cr0 s ASP 30 N -0.54 4.28 -0.03 3.68 2.15 0.74 -1.10 116.67 125.85 2cr0 s ASP 30 Ca 0.07 -0.31 -0.03 0.00 0.43 0.00 0.00 52.55 52.72 2cr0 s ASP 30 Cb -0.11 -0.85 0.01 0.00 -0.30 0.00 0.00 42.92 41.67 2cr0 s ASP 30 CO 0.01 0.24 0.09 -0.22 -0.17 0.00 0.00 175.17 175.12 2cr0 s LEU 31 N -1.64 1.52 -0.15 -1.34 2.96 -1.15 -1.02 118.68 117.85 2cr0 s LEU 31 Ca 0.17 0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2cr0 s LEU 31 Cb -0.11 0.27 0.05 0.00 0.50 0.00 0.00 46.19 46.90 2cr0 s LEU 31 CO 0.08 -0.05 0.06 0.00 -1.32 0.00 0.00 176.35 175.13 2cr0 s ALA 32 N 0.26 0.57 -0.41 5.97 0.00 -0.46 -1.55 121.76 126.14 2cr0 s ALA 32 Ca -0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 2cr0 s ALA 32 Cb -0.03 -0.98 0.07 0.00 0.00 0.00 0.00 23.12 22.18 2cr0 s ALA 32 CO -0.01 -1.00 0.26 0.08 0.00 0.00 0.00 175.76 175.09 2cr0 s VAL 33 N 2.05 4.34 -0.04 0.00 1.01 -1.12 -2.44 120.40 124.21 2cr0 s VAL 33 Ca 0.02 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 2cr0 s VAL 33 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2cr0 s VAL 33 CO -0.07 -0.46 1.48 -2.16 0.00 0.00 0.00 175.10 173.88 2cr0 s PRO 34 N 1.46 4.24 -0.30 2.72 0.04 -1.26 -2.27 135.00 139.62 2cr0 s PRO 34 Ca 0.03 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2cr0 s PRO 34 Cb -0.22 -3.73 0.02 0.00 0.04 0.00 0.00 34.50 30.60 2cr0 s PRO 34 CO 0.03 -0.69 0.07 -0.06 0.04 0.00 0.00 177.00 176.39 2cr0 s PHE 35 N 3.09 3.16 -1.06 0.56 0.08 0.16 -5.00 117.98 118.97 2cr0 s PHE 35 Ca 0.66 -1.13 -0.26 0.00 0.12 0.00 0.00 56.93 56.32 2cr0 s PHE 35 Cb -0.31 -2.24 -0.19 0.00 -0.57 0.00 0.00 43.02 39.71 2cr0 s PHE 35 CO 0.26 -0.62 2.12 0.50 -0.10 0.00 0.00 175.22 177.38 2cr0 s ARG 36 N 1.46 1.43 0.05 0.44 3.52 -1.26 -4.71 118.95 119.87 2cr0 s ARG 36 Ca 0.01 -0.43 0.05 0.00 -0.13 0.00 0.00 55.73 55.24 2cr0 s ARG 36 Cb -0.18 -5.00 -0.02 0.00 -1.56 0.00 0.00 34.95 28.19 2cr0 s ARG 36 CO 0.02 -5.14 -0.15 0.14 -0.81 0.00 0.00 175.30 169.36 2cr0 s VAL 37 N 15.83 1.16 -0.32 7.11 -7.23 -1.26 -5.03 120.40 130.64 2cr0 s VAL 37 Ca 0.81 -1.07 0.09 0.00 -1.81 0.00 0.00 61.98 60.00 2cr0 s VAL 37 Cb -0.05 -1.06 0.63 0.00 0.56 0.00 0.00 36.38 36.46 2cr0 s VAL 37 CO 0.16 -0.02 1.68 -1.20 -0.31 0.00 0.00 175.10 175.41 2cr0 n SER 38 N 1.78 3.74 -2.76 4.85 7.64 -1.26 -4.92 113.62 122.69 2cr0 n SER 38 Ca -0.19 -3.45 -0.13 0.00 1.01 0.00 0.00 58.87 56.11 2cr0 n SER 38 Cb 0.54 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 2cr0 n SER 38 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2cr0 n PHE 39 N -0.74 -1.38 -3.16 1.43 -1.74 -1.26 -5.14 117.46 105.46 2cr0 n PHE 39 Ca 0.41 -2.06 -0.39 0.00 -0.56 0.00 0.00 57.45 54.84 2cr0 n PHE 39 Cb 1.29 0.51 -0.06 0.00 1.52 0.00 0.00 39.48 42.74 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 -2.67 4.27 0.01 3.97 6.06 -1.26 -4.46 118.95 124.87 2cr0 s ARG 40 Ca 0.25 0.61 -0.23 0.00 -2.50 0.00 0.00 55.73 53.85 2cr0 s ARG 40 Cb -0.01 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.42 2cr0 s ARG 40 CO 0.18 -0.10 0.70 -0.51 -2.50 0.00 0.00 175.30 173.07 2cr0 s LEU 41 N 1.44 4.42 -0.04 -0.88 1.43 -0.96 -4.99 118.68 119.10 2cr0 s LEU 41 Ca 0.29 1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 54.68 2cr0 s LEU 41 Cb -0.16 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2cr0 s LEU 41 CO 0.12 0.03 0.14 -0.54 0.23 0.00 0.00 176.35 176.33 2cr0 s LYS 42 N 0.01 3.35 0.46 1.70 -0.14 -1.26 -4.74 119.74 119.12 2cr0 s LYS 42 Ca 0.36 -0.31 0.35 0.00 -1.36 0.00 0.00 55.97 55.00 2cr0 s LYS 42 Cb -0.19 -3.06 1.51 0.00 -1.68 0.00 0.00 37.83 34.41 2cr0 s LYS 42 CO 0.20 0.70 1.60 0.78 -0.76 0.00 0.00 175.35 177.87 2cr0 h GLY 43 N 4.20 1.10 1.25 -3.33 0.00 -1.97 1.17 103.07 105.49 2cr0 h GLY 43 Ca -0.50 -0.08 -0.24 0.00 0.00 0.00 0.00 47.33 46.51 2cr0 h GLY 43 CO 0.64 -0.37 -0.88 0.07 0.00 0.00 0.00 176.54 176.01 2cr0 h LYS 44 N 0.03 0.70 -0.91 4.80 2.10 -2.03 -3.23 116.57 118.03 2cr0 h LYS 44 Ca 0.87 -0.65 0.06 0.00 -2.00 0.00 0.00 60.65 58.93 2cr0 h LYS 44 Cb 2.89 0.16 -0.06 0.00 -0.90 0.00 0.00 32.23 34.32 2cr0 h LYS 44 CO -0.37 1.25 0.58 -0.44 -2.00 0.00 0.00 179.45 178.47 2cr0 h ASP 45 N 0.45 0.92 -2.96 7.07 5.19 0.10 -3.43 116.42 123.76 2cr0 h ASP 45 Ca -0.08 0.01 -0.50 0.00 -0.62 0.00 0.00 57.03 55.85 2cr0 h ASP 45 Cb 1.52 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.85 2cr0 h ASP 45 CO 0.17 0.59 -0.18 0.68 -3.12 0.00 0.00 179.24 177.38 2cr0 s VAL 46 N -6.06 5.09 -0.23 -1.35 -7.23 -0.86 -1.91 120.40 107.84 2cr0 s VAL 46 Ca -0.13 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 2cr0 s VAL 46 Cb 0.19 -3.81 0.06 0.00 0.56 0.00 0.00 36.38 33.38 2cr0 s VAL 46 CO 0.80 -0.45 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.42 2cr0 s VAL 47 N -2.21 1.34 -0.24 1.32 1.01 0.60 -4.67 120.40 117.55 2cr0 s VAL 47 Ca 0.41 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2cr0 s VAL 47 Cb -0.10 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 34.67 2cr0 s VAL 47 CO 0.34 -0.16 -0.06 -0.69 0.00 0.00 0.00 175.10 174.53 2cr0 s VAL 48 N 1.48 1.66 -0.35 2.92 1.01 -1.26 -0.98 120.40 124.87 2cr0 s VAL 48 Ca -0.04 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.50 2cr0 s VAL 48 Cb -0.18 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2cr0 s VAL 48 CO -0.07 -0.11 0.21 -0.62 0.00 0.00 0.00 175.10 174.51 2cr0 s ASP 49 N 1.33 5.80 -0.23 3.32 2.15 0.42 -4.93 116.67 124.53 2cr0 s ASP 49 Ca -0.06 -0.68 -0.08 0.00 0.43 0.00 0.00 52.55 52.16 2cr0 s ASP 49 Cb -0.19 -2.06 -0.04 0.00 -0.30 0.00 0.00 42.92 40.33 2cr0 s ASP 49 CO -0.06 -0.29 0.08 -0.63 -0.17 0.00 0.00 175.17 174.10 2cr0 s ILE 50 N 1.63 4.58 0.41 4.11 1.01 -1.26 0.60 121.20 132.27 2cr0 s ILE 50 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2cr0 s ILE 50 Cb -0.18 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 2cr0 s ILE 50 CO 0.08 0.37 0.05 -1.10 0.00 0.00 0.00 174.94 174.33 2cr0 s GLN 51 N 1.23 1.92 0.09 2.79 -0.21 0.26 -4.98 119.66 120.75 2cr0 s GLN 51 Ca 0.05 -2.13 -0.31 0.00 0.02 0.00 0.00 55.36 52.99 2cr0 s GLN 51 Cb -0.14 -1.18 -0.14 0.00 1.00 0.00 0.00 33.01 32.54 2cr0 s GLN 51 CO 0.04 -0.25 1.62 -0.09 -2.12 0.00 0.00 175.29 174.49 2cr0 h ARG 52 N 1.78 -0.71 -0.56 2.91 9.65 -1.98 -3.26 114.38 122.21 2cr0 h ARG 52 Ca -0.41 0.05 -0.41 0.00 -1.10 0.00 0.00 59.98 58.11 2cr0 h ARG 52 Cb 1.27 0.16 -0.34 0.00 -1.39 0.00 0.00 29.97 29.66 2cr0 h ARG 52 CO 0.71 -0.47 -0.79 -2.13 2.80 0.00 0.00 179.97 180.09 2cr0 n ARG 53 N -5.45 2.98 -3.59 0.20 0.63 -1.26 -0.34 116.66 109.83 2cr0 n ARG 53 Ca -0.10 -3.90 -0.13 0.00 -0.92 0.00 0.00 57.85 52.80 2cr0 n ARG 53 Cb 0.35 -2.04 -0.06 0.00 0.45 0.00 0.00 32.46 31.15 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 -3.46 -0.61 0.00 -0.14 2.46 -1.23 -1.64 115.29 110.67 2cr0 s HIS 54 Ca 0.46 1.31 -0.02 0.00 0.47 0.00 0.00 55.06 57.27 2cr0 s HIS 54 Cb 0.39 0.36 -0.01 0.00 -0.13 0.00 0.00 32.58 33.20 2cr0 s HIS 54 CO 0.01 -0.40 0.04 -1.17 -2.47 0.00 0.00 174.74 170.74 2cr0 s LEU 55 N -0.34 1.94 0.00 8.88 2.96 -1.25 0.90 118.68 131.77 2cr0 s LEU 55 Ca -0.03 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2cr0 s LEU 55 Cb -0.03 0.27 -0.00 0.00 0.50 0.00 0.00 46.19 46.93 2cr0 s LEU 55 CO 0.02 -0.23 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.21 2cr0 s ARG 56 N -1.00 0.05 -0.08 1.98 3.52 0.20 -3.64 118.95 119.99 2cr0 s ARG 56 Ca -0.11 -0.10 -0.08 0.00 -0.13 0.00 0.00 55.73 55.31 2cr0 s ARG 56 Cb -0.07 0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 2cr0 s ARG 56 CO -0.00 -0.01 0.21 0.08 -0.81 0.00 0.00 175.30 174.77 2cr0 s VAL 57 N -0.24 0.01 -3.14 7.11 1.01 -0.35 -0.44 120.40 124.35 2cr0 s VAL 57 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2cr0 s VAL 57 Cb -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2cr0 s VAL 57 CO -0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2cr0 n GLY 58 N 2.86 -0.60 3.05 4.51 0.00 -0.15 -1.22 105.19 113.63 2cr0 n GLY 58 Ca -0.13 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 2.08 0.32 0.99 1.43 -1.26 -0.29 118.68 121.95 2cr0 s LEU 59 Ca 0.00 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 2cr0 s LEU 59 Cb 0.00 -0.44 -0.14 0.00 0.03 0.00 0.00 46.19 45.64 2cr0 s LEU 59 CO 0.00 0.05 0.84 1.17 0.23 0.00 0.00 176.35 178.64 2cr0 n LYS 60 N 2.46 1.00 0.00 1.70 3.00 -0.80 -1.83 118.16 123.69 2cr0 n LYS 60 Ca -0.16 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2cr0 n LYS 60 Cb 0.56 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.91 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 1.44 1.15 3.81 3.14 0.00 -1.26 -4.91 105.19 108.56 2cr0 n GLY 61 Ca 0.11 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 2.50 0.30 1.61 -0.21 -0.76 -5.01 119.66 118.09 2cr0 s GLN 62 Ca 0.00 0.85 -0.29 0.00 0.02 0.00 0.00 55.36 55.94 2cr0 s GLN 62 Cb 0.00 -1.95 -0.10 0.00 1.00 0.00 0.00 33.01 31.96 2cr0 s GLN 62 CO 0.00 -1.38 1.23 -1.25 -2.12 0.00 0.00 175.29 171.77 2cr0 s PRO 63 N -5.07 4.46 -0.11 2.91 0.04 -1.26 -4.42 135.00 131.55 2cr0 s PRO 63 Ca 0.59 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.40 2cr0 s PRO 63 Cb -0.15 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2cr0 s PRO 63 CO 0.55 -0.05 1.53 -1.25 0.04 0.00 0.00 177.00 177.82 2cr0 s PRO 64 N -1.54 4.14 0.18 0.56 0.04 -1.26 -4.47 135.00 132.65 2cr0 s PRO 64 Ca 0.48 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 2cr0 s PRO 64 Cb -0.37 -3.93 0.09 0.00 0.04 0.00 0.00 34.50 30.33 2cr0 s PRO 64 CO 0.48 -0.87 1.83 0.28 0.04 0.00 0.00 177.00 178.76 2cr0 h VAL 65 N 5.63 1.10 -3.31 -0.36 2.07 -1.54 -3.40 116.25 116.43 2cr0 h VAL 65 Ca -0.35 -0.23 -0.66 0.00 0.82 0.00 0.00 66.70 66.28 2cr0 h VAL 65 Cb 1.15 0.36 -0.29 0.00 -1.52 0.00 0.00 31.29 31.00 2cr0 h VAL 65 CO 0.97 0.12 -0.76 -0.69 0.02 0.00 0.00 177.57 177.23 2cr0 s VAL 66 N -6.15 3.02 -0.28 2.57 1.01 -0.90 -5.01 120.40 114.66 2cr0 s VAL 66 Ca -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2cr0 s VAL 66 Cb 0.13 -2.33 0.16 0.00 0.00 0.00 0.00 36.38 34.34 2cr0 s VAL 66 CO 0.74 0.48 0.55 -0.62 0.00 0.00 0.00 175.10 176.25 2cr0 s ASP 67 N 1.11 -0.94 0.00 3.32 2.15 -1.26 -1.21 116.67 119.84 2cr0 s ASP 67 Ca 0.01 0.90 0.00 0.00 0.43 0.00 0.00 52.55 53.89 2cr0 s ASP 67 Cb -0.14 1.93 0.00 0.00 -0.30 0.00 0.00 42.92 44.40 2cr0 s ASP 67 CO -0.03 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2cr0 n GLY 68 N 5.42 1.71 3.69 2.66 0.00 -1.24 -4.84 105.19 112.58 2cr0 n GLY 68 Ca -0.04 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 2cr0 n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cr0 n GLU 69 N -0.31 2.33 -2.09 1.61 2.13 -1.26 -3.81 120.64 119.25 2cr0 n GLU 69 Ca 0.00 0.84 -0.41 0.00 0.66 0.00 0.00 57.16 58.25 2cr0 n GLU 69 Cb 0.00 -2.62 -0.02 0.00 0.27 0.00 0.00 31.44 29.07 2cr0 n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2cr0 s LEU 70 N 0.85 4.41 0.28 4.31 1.43 -0.65 -1.62 118.68 127.68 2cr0 s LEU 70 Ca 0.76 2.67 0.01 0.00 -1.03 0.00 0.00 54.13 56.55 2cr0 s LEU 70 Cb -0.62 -3.64 0.62 0.00 0.03 0.00 0.00 46.19 42.58 2cr0 s LEU 70 CO 0.38 -0.59 1.74 0.22 0.23 0.00 0.00 176.35 178.33 2cr0 h TYR 71 N 3.96 0.76 -4.25 0.29 3.20 -1.78 -3.44 116.97 115.71 2cr0 h TYR 71 Ca -0.48 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.27 2cr0 h TYR 71 Cb 1.22 -0.20 -0.14 0.00 1.54 0.00 0.00 36.73 39.15 2cr0 h TYR 71 CO 0.57 0.11 -0.51 1.21 -1.64 0.00 0.00 178.16 177.90 2cr0 s ASN 72 N -5.34 0.18 0.68 -2.11 3.84 -1.26 -5.07 114.94 105.86 2cr0 s ASN 72 Ca -0.12 -1.12 -0.17 0.00 0.21 0.00 0.00 52.86 51.66 2cr0 s ASN 72 Cb 0.23 0.37 0.01 0.00 -0.55 0.00 0.00 41.25 41.31 2cr0 s ASN 72 CO 0.78 -0.82 1.26 -1.61 -2.79 0.00 0.00 177.10 173.92 2cr0 s GLU 73 N -4.04 2.35 -0.11 0.43 2.02 -1.26 -4.75 118.70 113.34 2cr0 s GLU 73 Ca 0.25 1.96 -0.04 0.00 0.02 0.00 0.00 54.97 57.15 2cr0 s GLU 73 Cb 0.06 -1.83 0.06 0.00 0.10 0.00 0.00 34.13 32.51 2cr0 s GLU 73 CO 0.03 -1.72 0.23 0.14 0.02 0.00 0.00 175.26 173.96 2cr0 s VAL 74 N -1.61 -0.28 -0.92 2.63 -7.23 0.53 -3.73 120.40 109.80 2cr0 s VAL 74 Ca 0.80 0.26 -0.21 0.00 -1.81 0.00 0.00 61.98 61.01 2cr0 s VAL 74 Cb -0.35 -0.39 -0.24 0.00 0.56 0.00 0.00 36.38 35.97 2cr0 s VAL 74 CO 0.42 0.11 2.43 1.17 -0.31 0.00 0.00 175.10 178.91 2cr0 n LYS 75 N 5.02 0.18 0.04 4.82 4.81 -0.07 -4.48 118.16 128.49 2cr0 n LYS 75 Ca -0.11 -0.10 -0.11 0.00 -0.87 0.00 0.00 58.31 57.11 2cr0 n LYS 75 Cb 0.51 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.77 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 7.55 1.37 0.00 3.15 3.04 -1.88 0.39 116.25 129.87 2cr0 h VAL 76 Ca -0.03 -2.17 -0.00 0.00 -1.01 0.00 0.00 66.70 63.48 2cr0 h VAL 76 Cb 1.20 2.15 -0.00 0.00 -2.01 0.00 0.00 31.29 32.63 2cr0 h VAL 76 CO 1.41 0.66 -0.01 -0.33 -1.01 0.00 0.00 177.57 178.28 2cr0 h GLU 77 N 0.30 0.00 0.00 4.17 5.08 -1.96 -3.01 114.58 119.17 2cr0 h GLU 77 Ca -0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 2cr0 h GLU 77 Cb 1.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.56 2cr0 h GLU 77 CO 0.14 0.01 -2.19 0.39 -1.00 0.00 0.00 179.01 176.36 2cr0 n GLU 78 N -3.94 0.58 -1.23 2.33 -0.58 -1.16 -5.01 120.64 111.63 2cr0 n GLU 78 Ca -0.03 0.11 -0.36 0.00 -0.42 0.00 0.00 57.16 56.46 2cr0 n GLU 78 Cb 0.10 -1.42 0.06 0.00 -0.57 0.00 0.00 31.44 29.61 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 -3.08 -1.89 -3.63 1.62 7.64 0.14 -4.99 113.62 109.44 2cr0 n SER 79 Ca -0.36 0.57 -0.04 0.00 1.01 0.00 0.00 58.87 60.04 2cr0 n SER 79 Cb 0.91 -1.13 -0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.38 -0.13 0.23 6.43 0.01 -0.93 -4.92 113.70 113.01 2cr0 s SER 80 Ca 0.62 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 57.35 2cr0 s SER 80 Cb -0.35 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 2cr0 s SER 80 CO 0.61 -1.00 0.20 -1.66 0.41 0.00 0.00 173.24 171.80 2cr0 s TRP 81 N -3.03 1.18 -0.15 2.43 1.48 -1.26 0.40 118.94 119.99 2cr0 s TRP 81 Ca 0.14 -1.36 -0.29 0.00 -1.06 0.00 0.00 56.10 53.53 2cr0 s TRP 81 Cb -0.02 -0.50 0.09 0.00 -1.16 0.00 0.00 33.47 31.88 2cr0 s TRP 81 CO 0.04 -0.73 0.81 -0.48 -4.06 0.00 0.00 176.95 172.53 2cr0 s LEU 82 N -3.18 -0.58 -0.13 -4.66 0.05 0.02 -4.98 118.68 105.22 2cr0 s LEU 82 Ca 0.37 0.79 -0.26 0.00 0.05 0.00 0.00 54.13 55.08 2cr0 s LEU 82 Cb 0.05 2.27 -0.02 0.00 -2.05 0.00 0.00 46.19 46.45 2cr0 s LEU 82 CO 0.15 -0.42 0.84 -0.63 -0.55 0.00 0.00 176.35 175.74 2cr0 s ILE 83 N -0.71 4.89 -0.21 1.48 1.01 -1.26 -1.56 121.20 124.84 2cr0 s ILE 83 Ca -0.05 1.68 -0.10 0.00 0.00 0.00 0.00 60.65 62.19 2cr0 s ILE 83 Cb -0.02 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2cr0 s ILE 83 CO 0.04 0.07 0.13 -1.61 0.00 0.00 0.00 174.94 173.57 2cr0 s GLU 84 N 1.85 4.13 -1.32 2.79 0.41 0.14 -4.41 118.70 122.28 2cr0 s GLU 84 Ca 0.40 -0.25 -0.14 0.00 -0.41 0.00 0.00 54.97 54.58 2cr0 s GLU 84 Cb -0.17 -3.41 0.13 0.00 -1.78 0.00 0.00 34.13 28.89 2cr0 s GLU 84 CO 0.15 0.25 0.49 -0.25 -0.49 0.00 0.00 175.26 175.41 2cr0 n ASP 85 N 3.68 -2.65 -2.62 -0.19 9.92 -1.26 -0.71 116.55 122.72 2cr0 n ASP 85 Ca -0.16 -0.60 -0.07 0.00 -0.53 0.00 0.00 54.79 53.43 2cr0 n ASP 85 Cb 0.52 -2.24 -0.01 0.00 -0.64 0.00 0.00 41.12 38.75 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cr0 n GLY 86 N -1.06 -0.42 0.00 0.44 0.00 -1.26 -4.50 105.19 98.39 2cr0 n GLY 86 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.46 0.83 -4.39 1.61 2.85 0.11 -2.27 118.16 114.44 2cr0 n LYS 87 Ca 0.02 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.01 2cr0 n LYS 87 Cb 0.43 -0.64 -0.11 0.00 -0.65 0.00 0.00 35.03 34.05 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 -1.28 2.52 -0.34 0.58 1.01 -0.15 -0.67 120.40 122.07 2cr0 s VAL 88 Ca 0.00 -1.93 0.04 0.00 0.00 0.00 0.00 61.98 60.09 2cr0 s VAL 88 Cb 0.00 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.27 2cr0 s VAL 88 CO 0.00 -0.10 0.05 -0.69 0.00 0.00 0.00 175.10 174.36 2cr0 s VAL 89 N -1.63 2.25 0.13 2.92 1.01 -0.96 0.23 120.40 124.34 2cr0 s VAL 89 Ca 0.21 -2.32 -0.19 0.00 0.00 0.00 0.00 61.98 59.69 2cr0 s VAL 89 Cb -0.08 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 2cr0 s VAL 89 CO 0.11 -0.59 0.61 0.42 0.00 0.00 0.00 175.10 175.65 2cr0 s THR 90 N 0.92 4.70 -0.14 3.92 -4.23 -0.60 -2.77 115.64 117.44 2cr0 s THR 90 Ca 0.11 1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.78 2cr0 s THR 90 Cb -0.19 -3.87 0.04 0.00 1.34 0.00 0.00 72.50 69.82 2cr0 s THR 90 CO -0.08 0.41 0.02 -0.69 -0.54 0.00 0.00 174.62 173.73 2cr0 s VAL 91 N -1.28 0.46 -0.25 2.29 1.01 -0.60 -0.80 120.40 121.24 2cr0 s VAL 91 Ca 0.34 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 2cr0 s VAL 91 Cb -0.18 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2cr0 s VAL 91 CO 0.20 0.02 0.77 -2.28 0.00 0.00 0.00 175.10 173.81 2cr0 s HIS 92 N 1.91 3.29 -0.23 5.22 2.46 0.16 -2.96 115.29 125.15 2cr0 s HIS 92 Ca 0.02 1.01 -0.04 0.00 0.47 0.00 0.00 55.06 56.52 2cr0 s HIS 92 Cb -0.15 -3.00 -0.01 0.00 -0.13 0.00 0.00 32.58 29.29 2cr0 s HIS 92 CO -0.07 -0.39 -0.02 -0.51 -2.47 0.00 0.00 174.74 171.28 2cr0 s LEU 93 N 2.75 3.03 -0.16 8.88 1.43 -0.26 -2.19 118.68 132.17 2cr0 s LEU 93 Ca 0.32 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.77 2cr0 s LEU 93 Cb -0.15 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2cr0 s LEU 93 CO 0.08 -0.04 0.75 -0.70 0.23 0.00 0.00 176.35 176.68 2cr0 s GLU 94 N 1.49 4.29 -0.49 1.70 2.56 -1.26 -0.24 118.70 126.75 2cr0 s GLU 94 Ca 0.05 0.88 -0.28 0.00 0.00 0.00 0.00 54.97 55.63 2cr0 s GLU 94 Cb -0.15 -3.56 0.03 0.00 2.00 0.00 0.00 34.13 32.46 2cr0 s GLU 94 CO -0.02 -0.24 1.09 0.15 -0.56 0.00 0.00 175.26 175.68 2cr0 s LYS 95 N 1.88 3.64 0.24 4.30 1.02 -1.25 -0.89 119.74 128.68 2cr0 s LYS 95 Ca 0.35 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.78 2cr0 s LYS 95 Cb -0.17 -3.93 0.62 0.00 -0.52 0.00 0.00 37.83 33.84 2cr0 s LYS 95 CO 0.13 -1.39 1.19 -0.89 -0.92 0.00 0.00 175.35 173.47 2cr0 n ILE 96 N 6.72 -0.32 -3.78 2.17 2.08 -1.24 -2.23 119.36 122.76 2cr0 n ILE 96 Ca 0.10 1.66 -0.34 0.00 0.56 0.00 0.00 62.75 64.74 2cr0 n ILE 96 Cb 0.49 -2.45 -0.10 0.00 -0.75 0.00 0.00 39.64 36.83 2cr0 n ILE 96 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2cr0 s ASN 97 N -4.97 5.16 0.62 4.38 2.47 -1.26 -4.92 114.94 116.42 2cr0 s ASN 97 Ca -0.10 -3.29 0.22 0.00 0.42 0.00 0.00 52.86 50.12 2cr0 s ASN 97 Cb 0.23 -1.79 1.01 0.00 -1.45 0.00 0.00 41.25 39.25 2cr0 s ASN 97 CO 0.59 -0.24 1.51 0.11 -3.72 0.00 0.00 177.10 175.35 2cr0 h LYS 98 N 6.37 0.00 -1.04 0.43 1.57 -1.69 0.67 116.57 122.88 2cr0 h LYS 98 Ca 0.04 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.63 2cr0 h LYS 98 Cb 0.87 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.06 2cr0 h LYS 98 CO 0.74 0.00 0.25 -1.33 -0.57 0.00 0.00 179.45 178.54 2cr0 n MET 99 N -3.15 1.48 -4.10 3.15 2.81 -1.26 -3.88 117.12 112.16 2cr0 n MET 99 Ca 0.10 -1.13 -0.14 0.00 -1.81 0.00 0.00 57.70 54.72 2cr0 n MET 99 Cb 0.99 -1.44 -0.13 0.00 -0.71 0.00 0.00 33.22 31.93 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 -1.25 0.47 0.31 0.03 2.56 0.23 -5.15 118.70 115.91 2cr0 s GLU 100 Ca 0.21 -0.49 0.06 0.00 0.00 0.00 0.00 54.97 54.76 2cr0 s GLU 100 Cb 0.18 -0.33 -0.02 0.00 2.00 0.00 0.00 34.13 35.96 2cr0 s GLU 100 CO 0.04 0.07 0.39 -1.58 -0.56 0.00 0.00 175.26 173.63 2cr0 s TRP 101 N -0.80 3.15 -0.02 5.30 0.52 -1.26 -4.72 118.94 121.11 2cr0 s TRP 101 Ca -0.05 -0.18 0.07 0.00 0.02 0.00 0.00 56.10 55.96 2cr0 s TRP 101 Cb -0.06 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 2cr0 s TRP 101 CO 0.00 0.16 -0.24 -1.58 0.02 0.00 0.00 176.95 175.32 2cr0 s TRP 102 N -2.15 2.40 -0.27 -1.98 0.52 -1.26 -5.02 118.94 111.18 2cr0 s TRP 102 Ca 0.41 -0.38 0.22 0.00 0.02 0.00 0.00 56.10 56.37 2cr0 s TRP 102 Cb -0.09 -1.51 0.06 0.00 -1.15 0.00 0.00 33.47 30.78 2cr0 s TRP 102 CO 0.29 0.02 1.15 -0.97 0.02 0.00 0.00 176.95 177.47 2cr0 h ASN 103 N 5.37 0.00 -5.18 2.95 -0.73 -1.97 -3.47 115.58 112.55 2cr0 h ASN 103 Ca -0.44 0.00 0.29 0.00 1.87 0.00 0.00 56.30 58.02 2cr0 h ASN 103 Cb 1.13 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.58 2cr0 h ASN 103 CO 0.47 0.04 0.80 0.00 -0.37 0.00 0.00 177.43 178.37 2cr0 s ARG 104 N -3.31 0.41 -0.00 6.67 1.70 -1.26 -2.14 118.95 121.02 2cr0 s ARG 104 Ca 0.01 -0.20 -0.16 0.00 -0.47 0.00 0.00 55.73 54.90 2cr0 s ARG 104 Cb 0.09 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 2cr0 s ARG 104 CO 0.77 -0.19 0.84 1.25 -1.08 0.00 0.00 175.30 176.90 2cr0 h LEU 105 N 2.00 -0.49 -8.18 -1.89 5.85 -1.91 -3.41 115.31 107.28 2cr0 h LEU 105 Ca -0.22 0.02 -0.37 0.00 0.84 0.00 0.00 57.88 58.14 2cr0 h LEU 105 Cb 1.19 0.13 -0.25 0.00 0.37 0.00 0.00 40.66 42.10 2cr0 h LEU 105 CO 0.26 -0.21 -0.77 0.68 -0.34 0.00 0.00 178.44 178.06 2cr0 s VAL 106 N -3.62 0.79 0.38 1.05 -7.23 -1.26 -3.38 120.40 107.14 2cr0 s VAL 106 Ca -0.08 -0.83 0.31 0.00 -1.81 0.00 0.00 61.98 59.56 2cr0 s VAL 106 Cb 0.01 -0.74 0.46 0.00 0.56 0.00 0.00 36.38 36.67 2cr0 s VAL 106 CO 0.25 -0.06 1.26 0.35 -0.31 0.00 0.00 175.10 176.59 2cr0 n THR 107 N 2.05 -0.15 0.00 5.32 -2.24 -0.64 0.17 114.28 118.80 2cr0 n THR 107 Ca -0.18 1.39 -0.12 0.00 -2.27 0.00 0.00 64.05 62.87 2cr0 n THR 107 Cb 0.55 -2.28 -0.06 0.00 -2.10 0.00 0.00 70.33 66.44 2cr0 n THR 107 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2cr0 h SER 108 N 0.00 0.09 -4.25 3.42 0.87 -1.88 -3.44 113.55 108.35 2cr0 h SER 108 Ca 0.73 -0.10 -0.52 0.00 -1.23 0.00 0.00 61.79 60.67 2cr0 h SER 108 Cb 2.52 -0.02 0.19 0.00 -0.44 0.00 0.00 62.40 64.65 2cr0 h SER 108 CO -0.27 0.16 0.26 -1.81 -0.53 0.00 0.00 176.83 174.63 2cr0 s ASP 109 N -5.36 3.10 0.97 6.23 1.01 0.46 -4.89 116.67 118.18 2cr0 s ASP 109 Ca -0.14 2.24 -0.12 0.00 0.71 0.00 0.00 52.55 55.24 2cr0 s ASP 109 Cb 0.06 -2.57 0.17 0.00 1.01 0.00 0.00 42.92 41.59 2cr0 s ASP 109 CO 0.68 -2.99 1.09 -2.16 0.21 0.00 0.00 175.17 172.00 2cr0 s PRO 110 N -4.52 0.63 -0.07 8.23 0.04 -1.26 -4.83 135.00 133.23 2cr0 s PRO 110 Ca 0.68 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 2cr0 s PRO 110 Cb -0.24 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2cr0 s PRO 110 CO 0.56 -2.61 0.12 -1.21 0.04 0.00 0.00 177.00 173.89 2cr0 s GLU 111 N -4.95 3.30 -0.04 4.56 2.02 -1.26 -4.60 118.70 117.72 2cr0 s GLU 111 Ca 0.65 -0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.42 2cr0 s GLU 111 Cb -0.18 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 2cr0 s GLU 111 CO 0.57 0.72 -0.20 0.96 0.02 0.00 0.00 175.26 177.34 2cr0 s ILE 112 N -1.09 1.66 -0.11 -1.63 -4.36 -0.91 -5.06 121.20 109.69 2cr0 s ILE 112 Ca 0.18 -0.86 -0.29 0.00 -0.26 0.00 0.00 60.65 59.43 2cr0 s ILE 112 Cb -0.12 -1.41 -0.07 0.00 1.25 0.00 0.00 42.46 42.11 2cr0 s ILE 112 CO 0.08 0.47 2.11 0.21 0.24 0.00 0.00 174.94 178.05 2cr0 s ASN 113 N -0.14 5.88 -0.05 4.36 3.84 -1.26 -4.79 114.94 122.78 2cr0 s ASN 113 Ca -0.01 2.21 -0.20 0.00 0.21 0.00 0.00 52.86 55.07 2cr0 s ASN 113 Cb -0.11 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 38.02 2cr0 s ASN 113 CO 0.02 -1.58 0.58 0.42 -2.79 0.00 0.00 177.10 173.75 2cr0 s THR 114 N 6.68 5.01 -0.10 -5.21 -4.23 -1.26 -4.96 115.64 111.57 2cr0 s THR 114 Ca 0.95 1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 62.63 2cr0 s THR 114 Cb -0.37 -3.91 -0.02 0.00 1.34 0.00 0.00 72.50 69.54 2cr0 s THR 114 CO 0.38 0.37 2.45 1.17 -0.54 0.00 0.00 174.62 178.45 2cr0 n LYS 115 N 3.14 1.51 -3.69 3.99 4.81 -1.26 -4.89 118.16 121.77 2cr0 n LYS 115 Ca -0.06 -0.74 -0.21 0.00 -0.87 0.00 0.00 58.31 56.43 2cr0 n LYS 115 Cb 0.51 -1.45 -0.01 0.00 0.02 0.00 0.00 35.03 34.10 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 1.50 6.22 0.00 3.14 0.15 -1.26 -4.96 113.70 118.49 2cr0 s SER 116 Ca 0.27 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2cr0 s SER 116 Cb 0.16 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2cr0 s SER 116 CO -0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2cr0 n GLY 117 N -1.58 0.27 3.73 9.45 0.00 -1.26 -5.10 105.19 110.70 2cr0 n GLY 117 Ca -0.06 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2cr0 n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr0 s PRO 118 N 0.00 4.37 0.34 1.61 0.04 -1.26 -5.01 135.00 135.10 2cr0 s PRO 118 Ca 0.00 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2cr0 s PRO 118 Cb 0.00 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.36 2cr0 s PRO 118 CO 0.00 -0.30 0.75 -1.12 0.04 0.00 0.00 177.00 176.37 2cr0 s SER 119 N 0.60 -0.08 -0.10 6.66 0.01 -1.26 -5.13 113.70 114.40 2cr0 s SER 119 Ca 0.59 -0.95 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 2cr0 s SER 119 Cb -0.36 0.80 -0.03 0.00 0.21 0.00 0.00 66.02 66.64 2cr0 s SER 119 CO 0.35 -1.55 1.35 -0.55 0.41 0.00 0.00 173.24 173.25 2cr0 s SER 120 N -3.02 6.89 0.00 2.44 0.15 -1.26 -5.33 113.70 113.58 2cr0 s SER 120 Ca 0.14 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2cr0 s SER 120 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2cr0 s SER 120 CO 0.10 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.39