#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 -4.58 -4.94 1.61 7.64 -1.26 -4.95 113.62 107.14 2cr0 n SER 2 Ca 0.00 0.41 -0.27 0.00 1.01 0.00 0.00 58.87 60.02 2cr0 n SER 2 Cb 0.00 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 2cr0 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr0 s SER 3 N -0.95 6.35 0.00 6.43 0.01 -1.26 -5.07 113.70 119.20 2cr0 s SER 3 Ca 0.46 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2cr0 s SER 3 Cb -0.33 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2cr0 s SER 3 CO 0.71 0.05 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2cr0 n GLY 4 N -0.52 3.62 3.57 3.44 0.00 -1.26 -5.15 105.19 108.90 2cr0 n GLY 4 Ca -0.07 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2cr0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr0 s SER 5 N 1.85 5.26 -0.04 1.61 1.04 -1.26 -4.98 113.70 117.17 2cr0 s SER 5 Ca 0.00 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 2cr0 s SER 5 Cb 0.00 -1.89 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 2cr0 s SER 5 CO 0.00 0.17 -0.11 -1.20 0.98 0.00 0.00 173.24 173.07 2cr0 n SER 6 N 3.58 0.95 -3.82 7.02 7.64 -1.26 -5.07 113.62 122.66 2cr0 n SER 6 Ca -0.17 0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 2cr0 n SER 6 Cb 0.52 -0.35 -0.14 0.00 -1.01 0.00 0.00 64.21 63.24 2cr0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cr0 s GLY 7 N -4.76 -0.04 0.16 0.23 0.00 -1.26 -4.49 107.32 97.16 2cr0 s GLY 7 Ca -0.11 0.31 0.11 0.00 0.00 0.00 0.00 44.72 45.03 2cr0 s GLY 7 CO 0.14 0.37 -0.25 0.54 0.00 0.00 0.00 173.10 173.91 2cr0 s LYS 8 N 0.32 1.44 -0.22 2.90 1.02 -1.26 -4.88 119.74 119.06 2cr0 s LYS 8 Ca -0.02 -1.43 -0.29 0.00 0.02 0.00 0.00 55.97 54.24 2cr0 s LYS 8 Cb -0.04 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 2cr0 s LYS 8 CO -0.01 0.40 1.61 -1.25 -0.92 0.00 0.00 175.35 175.18 2cr0 s PRO 9 N -2.41 3.79 0.86 -1.68 0.04 -1.26 -2.31 135.00 132.04 2cr0 s PRO 9 Ca 0.17 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 2cr0 s PRO 9 Cb -0.09 -4.03 0.17 0.00 0.04 0.00 0.00 34.50 30.59 2cr0 s PRO 9 CO 0.08 -1.30 1.19 -0.80 0.04 0.00 0.00 177.00 176.21 2cr0 s ASN 10 N 4.22 3.61 0.26 6.66 0.01 -1.15 -4.86 114.94 123.68 2cr0 s ASN 10 Ca 0.71 -0.02 -0.01 0.00 -0.71 0.00 0.00 52.86 52.83 2cr0 s ASN 10 Cb -0.25 -0.15 0.57 0.00 0.41 0.00 0.00 41.25 41.84 2cr0 s ASN 10 CO 0.29 -2.39 1.70 -0.07 -1.51 0.00 0.00 177.10 175.13 2cr0 h LEU 11 N -1.18 0.23 -3.60 0.60 -0.00 -1.95 -0.17 115.31 109.25 2cr0 h LEU 11 Ca -0.41 0.14 -0.25 0.00 -0.00 0.00 0.00 57.88 57.36 2cr0 h LEU 11 Cb 1.25 0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 41.94 2cr0 h LEU 11 CO 0.38 0.03 0.19 0.61 -0.00 0.00 0.00 178.44 179.65 2cr0 n GLY 12 N -1.34 3.56 2.68 0.83 0.00 -1.26 -4.77 105.19 104.89 2cr0 n GLY 12 Ca 0.18 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 1.04 -1.05 -0.69 1.61 3.02 -0.08 -0.45 115.26 118.66 2cr0 n ASN 13 Ca 0.27 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 2cr0 n ASN 13 Cb 0.60 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.56 1.62 3.08 7.41 0.00 -1.24 -4.52 105.19 110.99 2cr0 n GLY 14 Ca 0.02 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.11 -0.73 -0.87 4.61 0.00 -0.83 -2.95 121.76 117.88 2cr0 s ALA 15 Ca 0.00 1.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 2cr0 s ALA 15 Cb 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 23.12 22.10 2cr0 s ALA 15 CO 0.00 -0.64 1.27 0.34 0.00 0.00 0.00 175.76 176.73 2cr0 s ASP 16 N 2.39 6.37 0.24 0.00 2.15 -0.98 -3.48 116.67 123.37 2cr0 s ASP 16 Ca -0.00 -1.19 -0.04 0.00 0.43 0.00 0.00 52.55 51.74 2cr0 s ASP 16 Cb -0.12 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 2cr0 s ASP 16 CO -0.10 -1.52 0.48 -0.76 -0.17 0.00 0.00 175.17 173.10 2cr0 s LEU 17 N 4.66 4.15 0.46 -1.34 1.43 -0.81 -4.18 118.68 123.05 2cr0 s LEU 17 Ca 0.37 0.62 0.31 0.00 -1.03 0.00 0.00 54.13 54.40 2cr0 s LEU 17 Cb -0.06 -3.40 1.29 0.00 0.03 0.00 0.00 46.19 44.05 2cr0 s LEU 17 CO 0.00 -0.10 1.91 1.55 0.23 0.00 0.00 176.35 179.94 2cr0 h PRO 18 N 2.01 0.00 0.00 1.29 0.13 -1.95 -2.98 132.00 130.51 2cr0 h PRO 18 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.32 2cr0 h PRO 18 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2cr0 h PRO 18 CO 0.68 0.00 -2.07 0.09 -0.23 0.00 0.00 178.00 176.47 2cr0 n ASN 19 N -2.82 0.54 -3.58 1.44 3.02 -1.26 -5.04 115.26 107.56 2cr0 n ASN 19 Ca 0.01 0.19 -0.05 0.00 -0.03 0.00 0.00 54.58 54.70 2cr0 n ASN 19 Cb 0.27 0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 2cr0 n ASN 19 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2cr0 s TYR 20 N -2.54 -0.17 -0.07 3.10 -0.85 -1.12 -4.32 117.35 111.37 2cr0 s TYR 20 Ca -0.09 0.09 0.05 0.00 -0.52 0.00 0.00 57.07 56.61 2cr0 s TYR 20 Cb 0.07 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 2cr0 s TYR 20 CO 0.82 -0.30 -0.24 -0.98 -1.52 0.00 0.00 175.55 173.33 2cr0 s ARG 21 N -2.60 2.60 0.02 -3.49 1.70 -0.77 -1.93 118.95 114.48 2cr0 s ARG 21 Ca 0.09 -0.86 0.01 0.00 -0.47 0.00 0.00 55.73 54.49 2cr0 s ARG 21 Cb -0.01 -2.13 -0.02 0.00 -0.57 0.00 0.00 34.95 32.22 2cr0 s ARG 21 CO -0.05 0.31 -0.05 1.67 -1.08 0.00 0.00 175.30 176.10 2cr0 s TRP 22 N 0.00 0.42 0.32 5.89 1.48 -1.23 -0.78 118.94 125.05 2cr0 s TRP 22 Ca -0.08 -0.40 0.07 0.00 -1.06 0.00 0.00 56.10 54.63 2cr0 s TRP 22 Cb -0.15 -0.27 -0.06 0.00 -1.16 0.00 0.00 33.47 31.83 2cr0 s TRP 22 CO 0.05 -0.10 -0.03 0.95 -4.06 0.00 0.00 176.95 173.75 2cr0 s THR 23 N -1.08 1.74 -0.04 0.66 -4.23 0.38 -1.96 115.64 111.10 2cr0 s THR 23 Ca -0.09 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.29 2cr0 s THR 23 Cb -0.08 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.14 2cr0 s THR 23 CO -0.00 -0.18 0.11 0.00 -0.54 0.00 0.00 174.62 174.01 2cr0 s GLN 24 N -3.73 0.10 0.01 3.99 -2.07 0.40 -0.13 119.66 118.22 2cr0 s GLN 24 Ca 0.32 0.22 0.02 0.00 -1.82 0.00 0.00 55.36 54.10 2cr0 s GLN 24 Cb 0.05 -0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 31.92 2cr0 s GLN 24 CO 0.14 -0.08 -0.07 0.95 -1.32 0.00 0.00 175.29 174.92 2cr0 s THR 25 N 0.50 0.55 0.47 3.63 -4.23 0.98 -4.23 115.64 113.31 2cr0 s THR 25 Ca -0.04 -0.46 0.39 0.00 -1.18 0.00 0.00 61.69 60.40 2cr0 s THR 25 Cb -0.05 -0.50 0.58 0.00 1.34 0.00 0.00 72.50 73.87 2cr0 s THR 25 CO -0.02 0.04 1.26 0.18 -0.54 0.00 0.00 174.62 175.55 2cr0 n LEU 26 N 2.60 0.00 0.00 4.79 4.77 -1.26 -0.26 117.00 127.65 2cr0 n LEU 26 Ca -0.15 0.80 -0.01 0.00 -0.03 0.00 0.00 56.01 56.62 2cr0 n LEU 26 Cb 0.57 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2cr0 n LEU 26 CO 0.24 -0.80 0.05 0.00 -1.33 0.00 0.00 177.39 175.55 2cr0 h ALA 27 N 0.77 -0.11 -2.95 -1.18 0.00 -1.88 -3.37 119.26 110.54 2cr0 h ALA 27 Ca 0.73 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.42 2cr0 h ALA 27 Cb 3.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 20.81 2cr0 h ALA 27 CO -0.01 -0.11 -0.06 -1.83 0.00 0.00 0.00 179.25 177.25 2cr0 s GLU 28 N -1.63 2.02 0.30 0.00 -1.05 0.64 -3.77 118.70 115.23 2cr0 s GLU 28 Ca -0.01 -1.69 0.08 0.00 -0.15 0.00 0.00 54.97 53.21 2cr0 s GLU 28 Cb 0.00 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.15 2cr0 s GLU 28 CO 0.03 -0.87 0.11 -1.17 0.95 0.00 0.00 175.26 174.31 2cr0 s LEU 29 N -3.20 3.34 0.01 1.83 0.20 0.76 -0.01 118.68 121.61 2cr0 s LEU 29 Ca 0.26 -0.64 -0.02 0.00 0.69 0.00 0.00 54.13 54.42 2cr0 s LEU 29 Cb -0.02 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.88 2cr0 s LEU 29 CO 0.18 -0.17 0.02 -1.81 -0.29 0.00 0.00 176.35 174.29 2cr0 s ASP 30 N -3.80 0.15 0.00 3.68 1.11 0.82 -2.00 116.67 116.63 2cr0 s ASP 30 Ca 0.35 -0.35 -0.02 0.00 0.18 0.00 0.00 52.55 52.71 2cr0 s ASP 30 Cb -0.05 0.13 -0.01 0.00 1.07 0.00 0.00 42.92 44.06 2cr0 s ASP 30 CO 0.22 -0.28 0.04 -0.22 1.18 0.00 0.00 175.17 176.11 2cr0 s LEU 31 N -1.25 1.93 -0.12 1.23 2.96 -1.13 -0.47 118.68 121.82 2cr0 s LEU 31 Ca -0.14 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 2cr0 s LEU 31 Cb -0.08 0.28 0.06 0.00 0.50 0.00 0.00 46.19 46.94 2cr0 s LEU 31 CO -0.00 -0.23 0.13 0.00 -1.32 0.00 0.00 176.35 174.93 2cr0 s ALA 32 N -0.98 0.07 -0.39 5.97 0.00 0.04 -1.93 121.76 124.55 2cr0 s ALA 32 Ca -0.11 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2cr0 s ALA 32 Cb -0.06 -0.94 0.09 0.00 0.00 0.00 0.00 23.12 22.20 2cr0 s ALA 32 CO -0.00 -0.86 0.18 0.08 0.00 0.00 0.00 175.76 175.16 2cr0 s VAL 33 N 2.23 3.46 -0.05 0.00 1.01 -1.14 -1.86 120.40 124.05 2cr0 s VAL 33 Ca 0.04 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 2cr0 s VAL 33 Cb -0.14 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2cr0 s VAL 33 CO -0.07 -0.53 1.49 -2.16 0.00 0.00 0.00 175.10 173.83 2cr0 s PRO 34 N 1.23 4.22 -0.30 2.72 0.04 -1.26 -2.19 135.00 139.47 2cr0 s PRO 34 Ca 0.04 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2cr0 s PRO 34 Cb -0.22 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.54 2cr0 s PRO 34 CO -0.02 -0.73 0.07 -0.06 0.04 0.00 0.00 177.00 176.31 2cr0 s PHE 35 N 3.33 3.15 -1.03 0.56 0.08 0.89 -4.99 117.98 119.97 2cr0 s PHE 35 Ca 0.66 -1.07 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 2cr0 s PHE 35 Cb -0.31 -2.24 -0.20 0.00 -0.57 0.00 0.00 43.02 39.70 2cr0 s PHE 35 CO 0.26 -0.60 2.17 1.03 -0.10 0.00 0.00 175.22 177.97 2cr0 s ARG 36 N 1.48 1.33 0.03 0.44 0.52 -1.26 -4.69 118.95 116.80 2cr0 s ARG 36 Ca 0.02 -0.27 0.04 0.00 -0.52 0.00 0.00 55.73 55.00 2cr0 s ARG 36 Cb -0.17 -4.95 -0.02 0.00 0.52 0.00 0.00 34.95 30.33 2cr0 s ARG 36 CO 0.02 -5.21 -0.12 0.14 0.02 0.00 0.00 175.30 170.15 2cr0 s VAL 37 N 16.26 0.95 -0.30 3.52 -7.23 -1.26 -5.03 120.40 127.30 2cr0 s VAL 37 Ca 0.83 -0.87 0.11 0.00 -1.81 0.00 0.00 61.98 60.24 2cr0 s VAL 37 Cb -0.06 -0.87 0.66 0.00 0.56 0.00 0.00 36.38 36.67 2cr0 s VAL 37 CO 0.16 0.00 1.69 -1.20 -0.31 0.00 0.00 175.10 175.44 2cr0 n SER 38 N 2.06 4.21 -2.59 4.85 7.64 -1.26 -4.87 113.62 123.65 2cr0 n SER 38 Ca -0.18 -3.30 -0.12 0.00 1.01 0.00 0.00 58.87 56.29 2cr0 n SER 38 Cb 0.55 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.45 -1.29 -3.00 1.43 -1.74 -1.26 -5.14 117.46 106.01 2cr0 n PHE 39 Ca 0.37 -1.87 -0.41 0.00 -0.56 0.00 0.00 57.45 54.99 2cr0 n PHE 39 Cb 1.26 0.46 -0.05 0.00 1.52 0.00 0.00 39.48 42.67 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 -2.61 4.25 0.23 3.97 6.06 -1.26 -4.46 118.95 125.14 2cr0 s ARG 40 Ca 0.23 0.82 -0.30 0.00 -2.50 0.00 0.00 55.73 53.98 2cr0 s ARG 40 Cb -0.01 -3.58 -0.09 0.00 0.06 0.00 0.00 34.95 31.34 2cr0 s ARG 40 CO 0.16 -0.29 1.14 -0.51 -2.50 0.00 0.00 175.30 173.31 2cr0 s LEU 41 N 2.04 4.50 -0.11 -0.88 1.43 -1.17 -5.02 118.68 119.48 2cr0 s LEU 41 Ca 0.34 2.25 -0.13 0.00 -1.03 0.00 0.00 54.13 55.55 2cr0 s LEU 41 Cb -0.16 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 2cr0 s LEU 41 CO 0.11 -0.25 0.31 -0.54 0.23 0.00 0.00 176.35 176.21 2cr0 s LYS 42 N -0.87 4.03 0.41 1.70 3.01 -1.26 -4.91 119.74 121.85 2cr0 s LYS 42 Ca 0.48 0.17 0.25 0.00 -1.01 0.00 0.00 55.97 55.86 2cr0 s LYS 42 Cb -0.32 -3.33 1.29 0.00 -1.01 0.00 0.00 37.83 34.46 2cr0 s LYS 42 CO 0.39 0.45 1.67 0.78 0.51 0.00 0.00 175.35 179.15 2cr0 h GLY 43 N 5.85 1.38 1.55 -3.33 0.00 -1.96 0.68 103.07 107.24 2cr0 h GLY 43 Ca -0.46 -0.15 -0.25 0.00 0.00 0.00 0.00 47.33 46.47 2cr0 h GLY 43 CO 0.69 -0.34 -1.06 0.07 0.00 0.00 0.00 176.54 175.90 2cr0 h LYS 44 N 0.20 0.38 -0.77 4.80 2.10 -2.03 -3.28 116.57 117.97 2cr0 h LYS 44 Ca 0.74 -0.48 0.03 0.00 -2.00 0.00 0.00 60.65 58.95 2cr0 h LYS 44 Cb 2.15 0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 33.59 2cr0 h LYS 44 CO -0.41 1.16 0.49 0.22 -2.00 0.00 0.00 179.45 178.91 2cr0 h ASP 45 N 0.18 0.81 -3.37 7.07 1.82 -0.05 -3.43 116.42 119.46 2cr0 h ASP 45 Ca -0.10 -0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 55.98 2cr0 h ASP 45 Cb 1.72 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.52 2cr0 h ASP 45 CO 0.18 0.56 -0.14 0.68 -1.61 0.00 0.00 179.24 178.91 2cr0 s VAL 46 N -6.11 4.95 -0.27 2.25 -7.23 -0.70 -1.15 120.40 112.14 2cr0 s VAL 46 Ca -0.13 0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 60.51 2cr0 s VAL 46 Cb 0.16 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.51 2cr0 s VAL 46 CO 0.78 0.01 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.85 2cr0 s VAL 47 N -1.72 2.79 -0.41 1.32 1.01 0.39 -4.74 120.40 119.04 2cr0 s VAL 47 Ca 0.44 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2cr0 s VAL 47 Cb -0.12 -2.54 0.12 0.00 0.00 0.00 0.00 36.38 33.84 2cr0 s VAL 47 CO 0.21 0.02 0.18 -0.69 0.00 0.00 0.00 175.10 174.82 2cr0 s VAL 48 N 1.25 1.55 -0.27 2.92 1.01 -1.26 0.04 120.40 125.64 2cr0 s VAL 48 Ca -0.04 -2.36 -0.19 0.00 0.00 0.00 0.00 61.98 59.40 2cr0 s VAL 48 Cb -0.19 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2cr0 s VAL 48 CO -0.03 -0.79 0.56 -0.62 0.00 0.00 0.00 175.10 174.22 2cr0 s ASP 49 N 0.64 6.47 -0.21 3.32 -1.08 0.15 -4.93 116.67 121.04 2cr0 s ASP 49 Ca 0.15 0.52 -0.04 0.00 -0.52 0.00 0.00 52.55 52.66 2cr0 s ASP 49 Cb -0.22 -2.30 -0.01 0.00 -1.46 0.00 0.00 42.92 38.92 2cr0 s ASP 49 CO -0.07 -0.35 -0.04 -0.63 0.52 0.00 0.00 175.17 174.60 2cr0 s ILE 50 N 2.42 3.51 0.45 4.11 1.01 -1.26 0.29 121.20 131.72 2cr0 s ILE 50 Ca 0.23 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.46 2cr0 s ILE 50 Cb -0.15 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2cr0 s ILE 50 CO 0.10 0.43 0.03 -1.10 0.00 0.00 0.00 174.94 174.40 2cr0 s GLN 51 N 1.24 2.03 0.08 2.79 -1.52 0.19 -5.00 119.66 119.47 2cr0 s GLN 51 Ca 0.03 -2.24 -0.35 0.00 -1.95 0.00 0.00 55.36 50.85 2cr0 s GLN 51 Cb -0.14 -1.35 -0.18 0.00 -0.22 0.00 0.00 33.01 31.12 2cr0 s GLN 51 CO -0.01 -0.28 1.59 -0.09 -0.25 0.00 0.00 175.29 176.25 2cr0 h ARG 52 N 1.61 -1.03 -0.57 2.91 9.65 -1.97 -3.28 114.38 121.70 2cr0 h ARG 52 Ca -0.42 0.07 -0.42 0.00 -1.10 0.00 0.00 59.98 58.11 2cr0 h ARG 52 Cb 1.28 0.24 -0.32 0.00 -1.39 0.00 0.00 29.97 29.77 2cr0 h ARG 52 CO 0.73 -0.69 -0.71 -2.13 2.80 0.00 0.00 179.97 179.97 2cr0 n ARG 53 N -5.57 3.10 -3.57 0.20 0.63 -1.26 -1.23 116.66 108.96 2cr0 n ARG 53 Ca -0.14 -3.94 -0.15 0.00 -0.92 0.00 0.00 57.85 52.70 2cr0 n ARG 53 Cb 0.46 -2.12 -0.06 0.00 0.45 0.00 0.00 32.46 31.19 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 -3.51 -0.67 -0.05 -0.14 2.46 -1.24 -2.38 115.29 109.76 2cr0 s HIS 54 Ca 0.48 1.37 -0.07 0.00 0.47 0.00 0.00 55.06 57.32 2cr0 s HIS 54 Cb 0.40 0.36 0.01 0.00 -0.13 0.00 0.00 32.58 33.23 2cr0 s HIS 54 CO 0.01 -0.47 0.18 -1.17 -2.47 0.00 0.00 174.74 170.81 2cr0 s LEU 55 N -0.52 1.34 -0.01 8.88 2.96 -1.24 0.58 118.68 130.66 2cr0 s LEU 55 Ca -0.05 0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2cr0 s LEU 55 Cb -0.02 0.65 0.01 0.00 0.50 0.00 0.00 46.19 47.33 2cr0 s LEU 55 CO 0.05 -0.13 0.02 -0.60 -1.32 0.00 0.00 176.35 174.37 2cr0 s ARG 56 N -0.22 0.00 -0.01 1.98 3.52 0.14 -3.69 118.95 120.67 2cr0 s ARG 56 Ca -0.03 0.08 -0.02 0.00 -0.13 0.00 0.00 55.73 55.63 2cr0 s ARG 56 Cb -0.03 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 2cr0 s ARG 56 CO 0.01 -0.06 0.04 0.08 -0.81 0.00 0.00 175.30 174.56 2cr0 s VAL 57 N 0.37 0.01 -0.97 7.11 1.01 -0.62 0.31 120.40 127.62 2cr0 s VAL 57 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2cr0 s VAL 57 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2cr0 s VAL 57 CO -0.01 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2cr0 n GLY 58 N 2.90 -0.73 3.16 4.51 0.00 0.11 -1.04 105.19 114.09 2cr0 n GLY 58 Ca -0.13 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 2.33 0.28 0.99 1.43 -1.26 -0.46 118.68 122.00 2cr0 s LEU 59 Ca 0.00 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.10 2cr0 s LEU 59 Cb 0.00 -0.38 -0.12 0.00 0.03 0.00 0.00 46.19 45.71 2cr0 s LEU 59 CO 0.00 -0.17 1.51 0.29 0.23 0.00 0.00 176.35 178.21 2cr0 n LYS 60 N 0.96 2.46 0.00 1.70 4.76 -0.30 -2.48 118.16 125.26 2cr0 n LYS 60 Ca -0.19 0.87 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2cr0 n LYS 60 Cb 0.56 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.15 2cr0 n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cr0 n GLY 61 N 1.97 1.05 3.78 0.72 0.00 -1.26 -4.92 105.19 106.52 2cr0 n GLY 61 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 2.07 0.29 1.61 -0.21 -1.03 -5.00 119.66 117.39 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 -1.90 -0.10 0.00 1.00 0.00 0.00 33.01 32.01 2cr0 s GLN 62 CO 0.00 -1.68 1.24 -1.25 -2.12 0.00 0.00 175.29 171.48 2cr0 s PRO 63 N -5.03 4.45 -0.03 2.91 0.04 -1.26 -4.45 135.00 131.63 2cr0 s PRO 63 Ca 0.61 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.41 2cr0 s PRO 63 Cb -0.16 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 2cr0 s PRO 63 CO 0.55 -0.08 1.47 -1.25 0.04 0.00 0.00 177.00 177.74 2cr0 s PRO 64 N -1.36 4.24 0.18 0.56 0.04 -1.26 -4.45 135.00 132.95 2cr0 s PRO 64 Ca 0.49 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.44 2cr0 s PRO 64 Cb -0.37 -3.70 0.09 0.00 0.04 0.00 0.00 34.50 30.56 2cr0 s PRO 64 CO 0.46 -0.68 1.71 0.28 0.04 0.00 0.00 177.00 178.82 2cr0 h VAL 65 N 5.15 1.25 -3.48 -0.36 2.07 -1.46 -3.40 116.25 116.01 2cr0 h VAL 65 Ca -0.37 -0.87 -0.67 0.00 0.82 0.00 0.00 66.70 65.60 2cr0 h VAL 65 Cb 1.17 0.59 -0.35 0.00 -1.52 0.00 0.00 31.29 31.18 2cr0 h VAL 65 CO 0.93 0.33 -0.81 -0.69 0.02 0.00 0.00 177.57 177.35 2cr0 s VAL 66 N -5.39 2.33 -0.21 2.57 1.01 -0.92 -5.01 120.40 114.78 2cr0 s VAL 66 Ca -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 2cr0 s VAL 66 Cb 0.14 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.44 2cr0 s VAL 66 CO 0.82 0.24 0.27 1.51 0.00 0.00 0.00 175.10 177.94 2cr0 s ASP 67 N 1.23 1.00 0.00 3.32 -4.77 -1.26 -1.59 116.67 114.60 2cr0 s ASP 67 Ca -0.01 -0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.20 2cr0 s ASP 67 Cb -0.17 0.60 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 2cr0 s ASP 67 CO -0.08 -0.31 0.00 0.61 0.70 0.00 0.00 175.17 176.09 2cr0 n GLY 68 N 5.33 1.24 3.74 2.12 0.00 -1.24 -4.86 105.19 111.53 2cr0 n GLY 68 Ca -0.05 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2cr0 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cr0 s GLU 69 N -2.00 4.29 0.21 1.61 2.12 -1.26 -3.73 118.70 119.94 2cr0 s GLU 69 Ca 0.00 2.26 -0.30 0.00 0.36 0.00 0.00 54.97 57.29 2cr0 s GLU 69 Cb 0.00 -3.12 -0.09 0.00 0.26 0.00 0.00 34.13 31.18 2cr0 s GLU 69 CO 0.00 -0.39 1.26 -0.51 -0.54 0.00 0.00 175.26 175.08 2cr0 s LEU 70 N -0.35 4.44 0.29 2.70 1.43 -1.00 -0.65 118.68 125.54 2cr0 s LEU 70 Ca 0.59 2.37 0.02 0.00 -1.03 0.00 0.00 54.13 56.08 2cr0 s LEU 70 Cb -0.41 -3.61 0.72 0.00 0.03 0.00 0.00 46.19 42.92 2cr0 s LEU 70 CO 0.42 -0.45 1.63 0.22 0.23 0.00 0.00 176.35 178.40 2cr0 h TYR 71 N 5.02 0.30 -4.53 0.29 3.20 -1.76 -3.43 116.97 116.05 2cr0 h TYR 71 Ca -0.45 0.05 -0.39 0.00 3.14 0.00 0.00 58.73 61.08 2cr0 h TYR 71 Cb 1.22 0.01 -0.14 0.00 1.54 0.00 0.00 36.73 39.36 2cr0 h TYR 71 CO 0.61 -0.25 -0.54 1.21 -1.64 0.00 0.00 178.16 177.55 2cr0 s ASN 72 N -5.06 1.24 0.54 -2.11 2.47 -1.26 -5.06 114.94 105.70 2cr0 s ASN 72 Ca -0.12 -1.61 -0.19 0.00 0.42 0.00 0.00 52.86 51.36 2cr0 s ASN 72 Cb 0.26 0.47 -0.06 0.00 -1.45 0.00 0.00 41.25 40.47 2cr0 s ASN 72 CO 0.77 -0.96 1.11 -1.61 -3.72 0.00 0.00 177.10 172.70 2cr0 s GLU 73 N -3.74 3.39 -0.08 0.43 2.02 -1.26 -4.75 118.70 114.71 2cr0 s GLU 73 Ca 0.39 1.54 -0.03 0.00 0.02 0.00 0.00 54.97 56.88 2cr0 s GLU 73 Cb 0.04 -2.02 0.05 0.00 0.10 0.00 0.00 34.13 32.30 2cr0 s GLU 73 CO 0.21 -0.81 0.16 0.14 0.02 0.00 0.00 175.26 174.98 2cr0 s VAL 74 N -1.88 -0.23 -0.96 2.63 -7.23 -0.36 -3.32 120.40 109.05 2cr0 s VAL 74 Ca 0.71 0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 61.05 2cr0 s VAL 74 Cb -0.22 -0.28 -0.28 0.00 0.56 0.00 0.00 36.38 36.15 2cr0 s VAL 74 CO 0.27 0.14 2.32 1.17 -0.31 0.00 0.00 175.10 178.70 2cr0 n LYS 75 N 5.16 0.09 0.05 4.82 4.81 0.11 -4.54 118.16 128.66 2cr0 n LYS 75 Ca -0.08 -0.07 -0.04 0.00 -0.87 0.00 0.00 58.31 57.24 2cr0 n LYS 75 Cb 0.50 -1.45 0.17 0.00 0.02 0.00 0.00 35.03 34.27 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 7.34 1.31 -0.03 3.15 3.04 -1.86 0.18 116.25 129.39 2cr0 h VAL 76 Ca 0.00 -1.59 0.01 0.00 -1.01 0.00 0.00 66.70 64.11 2cr0 h VAL 76 Cb 1.17 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 32.12 2cr0 h VAL 76 CO 1.50 0.48 0.04 -0.33 -1.01 0.00 0.00 177.57 178.25 2cr0 h GLU 77 N 0.30 0.00 0.00 4.17 4.39 -1.96 -2.90 114.58 118.58 2cr0 h GLU 77 Ca 0.02 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.42 2cr0 h GLU 77 Cb 0.88 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 2cr0 h GLU 77 CO 0.07 0.00 -2.15 0.39 -1.16 0.00 0.00 179.01 176.16 2cr0 n GLU 78 N -3.75 0.57 -1.35 2.33 -0.58 -1.04 -5.01 120.64 111.80 2cr0 n GLU 78 Ca -0.02 0.11 -0.41 0.00 -0.42 0.00 0.00 57.16 56.42 2cr0 n GLU 78 Cb 0.13 -1.41 0.01 0.00 -0.57 0.00 0.00 31.44 29.60 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 -3.06 -2.26 -3.54 1.62 7.64 0.61 -4.96 113.62 109.68 2cr0 n SER 79 Ca -0.35 0.79 -0.11 0.00 1.01 0.00 0.00 58.87 60.21 2cr0 n SER 79 Cb 0.89 -0.98 -0.04 0.00 -1.01 0.00 0.00 64.21 63.07 2cr0 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cr0 s SER 80 N -1.01 -0.42 0.42 6.43 1.04 -0.85 -4.95 113.70 114.36 2cr0 s SER 80 Ca 0.61 0.31 0.04 0.00 0.48 0.00 0.00 55.95 57.39 2cr0 s SER 80 Cb -0.57 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 2cr0 s SER 80 CO 0.61 -0.49 0.03 -1.66 0.98 0.00 0.00 173.24 172.71 2cr0 s TRP 81 N -1.86 2.14 -0.23 5.02 1.48 -1.26 0.35 118.94 124.58 2cr0 s TRP 81 Ca -0.01 -0.88 -0.26 0.00 -1.06 0.00 0.00 56.10 53.89 2cr0 s TRP 81 Cb -0.01 -1.56 0.09 0.00 -1.16 0.00 0.00 33.47 30.84 2cr0 s TRP 81 CO -0.01 0.21 0.86 -0.48 -4.06 0.00 0.00 176.95 173.47 2cr0 s LEU 82 N -3.69 -0.59 -0.09 -4.66 0.05 0.57 -4.96 118.68 105.32 2cr0 s LEU 82 Ca 0.26 1.02 -0.30 0.00 0.05 0.00 0.00 54.13 55.17 2cr0 s LEU 82 Cb 0.07 2.20 -0.01 0.00 -2.05 0.00 0.00 46.19 46.39 2cr0 s LEU 82 CO 0.13 -0.28 1.00 -0.63 -0.55 0.00 0.00 176.35 176.02 2cr0 s ILE 83 N -0.06 4.80 -0.18 1.48 1.01 -1.26 -1.50 121.20 125.48 2cr0 s ILE 83 Ca -0.01 2.04 -0.08 0.00 0.00 0.00 0.00 60.65 62.60 2cr0 s ILE 83 Cb -0.04 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2cr0 s ILE 83 CO -0.00 0.03 0.09 -1.61 0.00 0.00 0.00 174.94 173.45 2cr0 s GLU 84 N 1.84 4.02 -1.57 2.79 0.41 0.12 -4.46 118.70 121.85 2cr0 s GLU 84 Ca 0.49 -0.29 -0.18 0.00 -0.41 0.00 0.00 54.97 54.58 2cr0 s GLU 84 Cb -0.19 -3.28 0.17 0.00 -1.78 0.00 0.00 34.13 29.05 2cr0 s GLU 84 CO 0.20 0.31 0.60 -0.25 -0.49 0.00 0.00 175.26 175.63 2cr0 n ASP 85 N 3.43 -2.57 -2.36 -0.19 9.92 -1.26 -0.59 116.55 122.93 2cr0 n ASP 85 Ca -0.17 -0.89 -0.04 0.00 -0.53 0.00 0.00 54.79 53.16 2cr0 n ASP 85 Cb 0.52 -2.17 -0.01 0.00 -0.64 0.00 0.00 41.12 38.83 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 -1.14 -0.40 0.00 0.44 0.00 -1.26 -4.47 105.19 98.36 2cr0 n GLY 86 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.21 0.78 -4.38 1.61 2.85 0.24 -3.01 118.16 114.04 2cr0 n LYS 87 Ca 0.01 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.03 2cr0 n LYS 87 Cb 0.41 -0.66 -0.09 0.00 -0.65 0.00 0.00 35.03 34.04 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 -1.31 2.92 -0.34 0.58 1.01 0.03 -0.08 120.40 123.21 2cr0 s VAL 88 Ca 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 61.98 59.85 2cr0 s VAL 88 Cb 0.00 -2.54 0.11 0.00 0.00 0.00 0.00 36.38 33.95 2cr0 s VAL 88 CO 0.00 -0.36 0.11 -0.69 0.00 0.00 0.00 175.10 174.16 2cr0 s VAL 89 N -2.34 1.45 0.15 2.92 1.01 -0.93 0.14 120.40 122.79 2cr0 s VAL 89 Ca 0.30 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.15 2cr0 s VAL 89 Cb -0.06 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 2cr0 s VAL 89 CO 0.17 -0.68 0.69 0.42 0.00 0.00 0.00 175.10 175.69 2cr0 s THR 90 N 1.17 4.56 -0.18 3.92 -4.23 -0.56 -2.87 115.64 117.44 2cr0 s THR 90 Ca 0.11 1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 62.00 2cr0 s THR 90 Cb -0.19 -3.97 0.05 0.00 1.34 0.00 0.00 72.50 69.73 2cr0 s THR 90 CO -0.16 0.43 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.66 2cr0 s VAL 91 N -1.25 0.80 -0.09 2.29 1.01 -0.81 -0.31 120.40 122.04 2cr0 s VAL 91 Ca 0.36 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 2cr0 s VAL 91 Cb -0.20 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2cr0 s VAL 91 CO 0.22 -0.05 0.87 -2.28 0.00 0.00 0.00 175.10 173.86 2cr0 s HIS 92 N 1.75 3.54 -0.20 5.22 5.04 0.15 -2.84 115.29 127.95 2cr0 s HIS 92 Ca -0.01 1.43 0.00 0.00 -1.54 0.00 0.00 55.06 54.95 2cr0 s HIS 92 Cb -0.16 -3.02 0.02 0.00 0.04 0.00 0.00 32.58 29.46 2cr0 s HIS 92 CO -0.07 -0.10 -0.15 -0.51 -2.34 0.00 0.00 174.74 171.57 2cr0 s LEU 93 N 1.49 2.52 -0.14 8.88 1.43 -0.85 -2.01 118.68 130.00 2cr0 s LEU 93 Ca 0.44 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 2cr0 s LEU 93 Cb -0.18 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2cr0 s LEU 93 CO 0.19 -0.04 0.87 -0.70 0.23 0.00 0.00 176.35 176.90 2cr0 s GLU 94 N 1.31 4.35 -0.48 1.70 2.56 -1.26 -0.17 118.70 126.71 2cr0 s GLU 94 Ca 0.03 1.11 -0.28 0.00 0.00 0.00 0.00 54.97 55.84 2cr0 s GLU 94 Cb -0.14 -3.55 0.03 0.00 2.00 0.00 0.00 34.13 32.46 2cr0 s GLU 94 CO -0.10 -0.28 1.07 0.15 -0.56 0.00 0.00 175.26 175.54 2cr0 s LYS 95 N 1.96 3.65 0.23 4.30 1.02 -1.25 0.04 119.74 129.69 2cr0 s LYS 95 Ca 0.41 0.41 0.05 0.00 0.02 0.00 0.00 55.97 56.87 2cr0 s LYS 95 Cb -0.17 -3.92 0.65 0.00 -0.52 0.00 0.00 37.83 33.87 2cr0 s LYS 95 CO 0.15 -1.34 1.08 -0.89 -0.92 0.00 0.00 175.35 173.43 2cr0 n ILE 96 N 6.71 -0.29 -4.06 2.17 2.08 -1.21 -3.67 119.36 121.09 2cr0 n ILE 96 Ca 0.10 1.48 -0.34 0.00 0.56 0.00 0.00 62.75 64.55 2cr0 n ILE 96 Cb 0.49 -2.23 -0.15 0.00 -0.75 0.00 0.00 39.64 37.00 2cr0 n ILE 96 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2cr0 s ASN 97 N -4.90 3.52 0.48 4.38 0.01 -1.26 -4.98 114.94 112.19 2cr0 s ASN 97 Ca -0.08 -0.56 0.27 0.00 -0.71 0.00 0.00 52.86 51.78 2cr0 s ASN 97 Cb 0.21 -1.56 1.11 0.00 0.41 0.00 0.00 41.25 41.42 2cr0 s ASN 97 CO 0.54 -0.00 1.90 0.11 -1.51 0.00 0.00 177.10 178.13 2cr0 h LYS 98 N 7.98 0.00 -1.03 -0.60 1.79 -1.71 -2.82 116.57 120.18 2cr0 h LYS 98 Ca -0.44 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.72 2cr0 h LYS 98 Cb 1.15 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.62 2cr0 h LYS 98 CO 0.63 0.15 0.39 -1.33 -1.08 0.00 0.00 179.45 178.20 2cr0 n MET 99 N -3.32 1.73 -4.24 3.15 2.81 -1.26 -4.21 117.12 111.78 2cr0 n MET 99 Ca 0.00 -1.74 -0.17 0.00 -1.81 0.00 0.00 57.70 53.98 2cr0 n MET 99 Cb 0.37 -1.68 -0.13 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.91 0.68 0.48 0.03 2.56 -1.07 -5.16 118.70 114.32 2cr0 s GLU 100 Ca 0.33 -0.55 0.07 0.00 0.00 0.00 0.00 54.97 54.82 2cr0 s GLU 100 Cb 0.28 -0.61 0.02 0.00 2.00 0.00 0.00 34.13 35.81 2cr0 s GLU 100 CO 0.06 0.15 0.46 -1.58 -0.56 0.00 0.00 175.26 173.79 2cr0 s TRP 101 N -0.71 2.14 0.02 5.30 0.52 -1.26 -4.59 118.94 120.35 2cr0 s TRP 101 Ca -0.01 -0.64 0.06 0.00 0.02 0.00 0.00 56.10 55.53 2cr0 s TRP 101 Cb -0.06 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.13 2cr0 s TRP 101 CO 0.00 -0.42 -0.18 -1.58 0.02 0.00 0.00 176.95 174.80 2cr0 s TRP 102 N -2.60 1.55 -0.41 -1.98 0.52 -1.26 -5.02 118.94 109.73 2cr0 s TRP 102 Ca 0.46 -0.33 0.22 0.00 0.02 0.00 0.00 56.10 56.47 2cr0 s TRP 102 Cb -0.03 -0.95 -0.07 0.00 -1.15 0.00 0.00 33.47 31.26 2cr0 s TRP 102 CO 0.28 0.03 0.89 -1.71 0.02 0.00 0.00 176.95 176.45 2cr0 n ASN 103 N 2.19 0.53 -3.61 2.95 5.15 -1.26 -4.86 115.26 116.35 2cr0 n ASN 103 Ca -0.16 -0.09 -0.02 0.00 -0.60 0.00 0.00 54.58 53.70 2cr0 n ASN 103 Cb 0.54 1.04 -0.01 0.00 -0.53 0.00 0.00 39.78 40.81 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cr0 s ARG 104 N -3.30 0.39 -0.03 1.20 1.70 -1.26 -1.97 118.95 115.68 2cr0 s ARG 104 Ca 0.00 -0.18 -0.25 0.00 -0.47 0.00 0.00 55.73 54.84 2cr0 s ARG 104 Cb 0.13 0.16 -0.19 0.00 -0.57 0.00 0.00 34.95 34.48 2cr0 s ARG 104 CO 0.83 -0.17 1.17 1.25 -1.08 0.00 0.00 175.30 177.30 2cr0 h LEU 105 N 2.00 -0.09 -7.99 -1.89 5.85 -1.92 -3.39 115.31 107.87 2cr0 h LEU 105 Ca -0.18 -0.42 -0.25 0.00 0.84 0.00 0.00 57.88 57.87 2cr0 h LEU 105 Cb 1.18 0.02 -0.24 0.00 0.37 0.00 0.00 40.66 42.00 2cr0 h LEU 105 CO 0.25 0.40 -0.73 0.68 -0.34 0.00 0.00 178.44 178.71 2cr0 s VAL 106 N -4.10 0.31 0.33 1.05 -7.23 -1.26 -3.64 120.40 105.85 2cr0 s VAL 106 Ca -0.15 -0.69 0.10 0.00 -1.81 0.00 0.00 61.98 59.43 2cr0 s VAL 106 Cb 0.01 -0.36 0.34 0.00 0.56 0.00 0.00 36.38 36.93 2cr0 s VAL 106 CO 0.61 -0.26 1.63 0.71 -0.31 0.00 0.00 175.10 177.49 2cr0 h THR 107 N 4.75 0.22 -0.60 5.32 1.35 -1.18 1.02 112.91 123.79 2cr0 h THR 107 Ca -0.31 -0.07 0.01 0.00 -0.55 0.00 0.00 66.41 65.50 2cr0 h THR 107 Cb 1.20 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 67.60 2cr0 h THR 107 CO 0.44 0.04 0.40 0.28 -0.25 0.00 0.00 175.52 176.42 2cr0 h SER 108 N 0.19 0.66 -4.31 5.36 0.02 -1.89 -3.43 113.55 110.15 2cr0 h SER 108 Ca 0.68 -0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 61.10 2cr0 h SER 108 Cb 1.55 -0.16 0.13 0.00 0.14 0.00 0.00 62.40 64.05 2cr0 h SER 108 CO -0.69 0.47 0.32 -1.81 -1.14 0.00 0.00 176.83 173.99 2cr0 s ASP 109 N -6.48 4.58 1.10 3.07 1.11 0.35 -5.03 116.67 115.37 2cr0 s ASP 109 Ca -0.10 1.81 -0.16 0.00 0.18 0.00 0.00 52.55 54.29 2cr0 s ASP 109 Cb 0.18 -2.52 0.24 0.00 1.07 0.00 0.00 42.92 41.89 2cr0 s ASP 109 CO 0.76 -1.98 1.10 -2.16 1.18 0.00 0.00 175.17 174.06 2cr0 s PRO 110 N -4.89 -0.41 0.14 8.23 0.04 -1.26 -4.83 135.00 132.02 2cr0 s PRO 110 Ca 0.61 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2cr0 s PRO 110 Cb -0.17 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2cr0 s PRO 110 CO 0.55 -3.23 0.20 -1.21 0.04 0.00 0.00 177.00 173.35 2cr0 s GLU 111 N -5.17 3.17 -0.01 4.56 2.02 -1.26 -4.60 118.70 117.40 2cr0 s GLU 111 Ca 0.68 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 55.00 2cr0 s GLU 111 Cb -0.15 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 2cr0 s GLU 111 CO 0.57 0.52 -0.11 0.96 0.02 0.00 0.00 175.26 177.22 2cr0 s ILE 112 N -1.70 0.86 -0.56 -1.63 -4.36 -0.83 -5.05 121.20 107.93 2cr0 s ILE 112 Ca 0.33 -0.45 -0.27 0.00 -0.26 0.00 0.00 60.65 60.00 2cr0 s ILE 112 Cb -0.11 -0.73 -0.09 0.00 1.25 0.00 0.00 42.46 42.78 2cr0 s ILE 112 CO 0.26 0.25 2.45 -3.20 0.24 0.00 0.00 174.94 174.94 2cr0 n ASN 113 N 2.94 2.06 -0.20 4.36 5.15 -1.26 -4.79 115.26 123.51 2cr0 n ASN 113 Ca -0.15 -0.46 -0.09 0.00 -0.60 0.00 0.00 54.58 53.28 2cr0 n ASN 113 Cb 0.56 -1.51 0.03 0.00 -0.53 0.00 0.00 39.78 38.33 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2cr0 h THR 114 N 7.74 1.27 -1.52 -0.44 1.35 -1.93 -3.44 112.91 115.94 2cr0 h THR 114 Ca -0.21 -1.18 -0.44 0.00 -0.55 0.00 0.00 66.41 64.02 2cr0 h THR 114 Cb 1.27 0.84 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 2cr0 h THR 114 CO 1.18 0.43 -0.30 -0.54 -0.25 0.00 0.00 175.52 176.04 2cr0 s LYS 115 N -4.98 2.80 0.02 4.72 -0.14 -1.26 -5.08 119.74 115.83 2cr0 s LYS 115 Ca -0.12 -1.27 -0.02 0.00 -1.36 0.00 0.00 55.97 53.20 2cr0 s LYS 115 Cb 0.14 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.60 2cr0 s LYS 115 CO 0.86 -0.20 -0.03 0.43 -0.76 0.00 0.00 175.35 175.65 2cr0 n SER 116 N -1.74 0.60 0.00 2.83 7.64 -1.26 -5.16 113.62 116.53 2cr0 n SER 116 Ca 0.06 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2cr0 n SER 116 Cb 0.59 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2cr0 n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr0 n GLY 117 N 3.10 1.14 3.56 0.23 0.00 -1.26 -5.07 105.19 106.89 2cr0 n GLY 117 Ca -0.01 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 2.54 0.27 1.61 0.04 -1.26 -4.82 135.00 131.39 2cr0 s PRO 118 Ca 0.00 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2cr0 s PRO 118 Cb 0.00 -5.10 0.63 0.00 0.04 0.00 0.00 34.50 30.07 2cr0 s PRO 118 CO 0.00 -3.51 1.68 0.66 0.04 0.00 0.00 177.00 175.87 2cr0 h SER 119 N 10.95 0.14 0.00 6.66 4.64 -2.07 -3.39 113.55 130.48 2cr0 h SER 119 Ca 0.12 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2cr0 h SER 119 Cb 0.99 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2cr0 h SER 119 CO 1.21 -0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 175.58 2cr0 n SER 120 N -5.13 0.26 0.00 4.97 3.41 -1.26 -5.32 113.62 110.55 2cr0 n SER 120 Ca 0.19 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2cr0 n SER 120 Cb 0.59 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2cr0 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49