#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 6.22 -0.17 1.61 0.01 -1.26 -5.03 113.70 115.08 2cr0 s SER 2 Ca 0.00 -0.89 -0.29 0.00 1.31 0.00 0.00 55.95 56.07 2cr0 s SER 2 Cb 0.00 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 2cr0 s SER 2 CO 0.00 -0.86 1.13 -0.55 0.41 0.00 0.00 173.24 173.37 2cr0 s SER 3 N 2.62 7.06 0.00 2.44 0.15 -1.26 -4.89 113.70 119.82 2cr0 s SER 3 Ca 0.15 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.36 2cr0 s SER 3 Cb -0.19 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2cr0 s SER 3 CO 0.12 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2cr0 n GLY 4 N 3.39 4.33 1.29 9.45 0.00 -1.26 -4.97 105.19 117.42 2cr0 n GLY 4 Ca 0.12 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2cr0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr0 n SER 5 N 0.00 0.00 -0.23 1.61 7.64 -1.26 -4.81 113.62 116.57 2cr0 n SER 5 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2cr0 n SER 5 Cb 0.00 -0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 2cr0 n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2cr0 h SER 6 N 0.00 0.51 -4.95 6.43 4.64 -2.03 -3.44 113.55 114.71 2cr0 h SER 6 Ca 0.00 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 2cr0 h SER 6 Cb 0.71 -0.06 -0.20 0.00 -0.31 0.00 0.00 62.40 62.55 2cr0 h SER 6 CO 0.00 0.32 -0.11 -0.83 -0.87 0.00 0.00 176.83 175.34 2cr0 s GLY 7 N -3.05 -0.31 0.08 -0.77 0.00 -1.26 -5.04 107.32 96.97 2cr0 s GLY 7 Ca -0.13 0.70 0.05 0.00 0.00 0.00 0.00 44.72 45.35 2cr0 s GLY 7 CO 0.76 0.44 -0.14 -1.59 0.00 0.00 0.00 173.10 172.57 2cr0 s LYS 8 N -1.22 0.85 1.25 2.90 -2.85 -1.26 -4.76 119.74 114.64 2cr0 s LYS 8 Ca -0.12 -1.01 -0.21 0.00 -1.00 0.00 0.00 55.97 53.63 2cr0 s LYS 8 Cb -0.03 -0.82 0.31 0.00 -2.06 0.00 0.00 37.83 35.23 2cr0 s LYS 8 CO 0.06 0.18 1.11 -1.25 0.10 0.00 0.00 175.35 175.55 2cr0 s PRO 9 N -1.94 -1.60 0.18 1.78 0.04 -1.26 -0.03 135.00 132.16 2cr0 s PRO 9 Ca 0.00 -0.20 0.03 0.00 0.04 0.00 0.00 61.00 60.87 2cr0 s PRO 9 Cb -0.09 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2cr0 s PRO 9 CO 0.02 -3.94 0.17 0.27 0.04 0.00 0.00 177.00 173.57 2cr0 n ASN 10 N -4.89 -0.45 -2.01 6.66 0.23 -1.24 -4.16 115.26 109.39 2cr0 n ASN 10 Ca 0.15 -2.11 -0.08 0.00 -0.53 0.00 0.00 54.58 52.00 2cr0 n ASN 10 Cb 0.60 0.99 -0.12 0.00 -2.08 0.00 0.00 39.78 39.17 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 4.35 -1.15 -4.53 4.77 -1.26 -3.20 117.00 115.98 2cr0 n LEU 11 Ca 0.03 -2.61 -0.03 0.00 -0.03 0.00 0.00 56.01 53.38 2cr0 n LEU 11 Cb 0.31 -1.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.26 2cr0 n LEU 11 CO 0.16 1.25 0.26 0.61 -1.33 0.00 0.00 177.39 178.33 2cr0 n GLY 12 N 2.43 0.16 4.24 -0.72 0.00 -1.26 -4.99 105.19 105.05 2cr0 n GLY 12 Ca 0.30 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.23 -3.31 0.00 1.61 3.02 -1.19 -2.91 115.26 112.24 2cr0 n ASN 13 Ca -0.13 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 2cr0 n ASN 13 Cb 0.54 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 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 -1.38 5.29 3.14 7.41 0.00 -1.26 -4.10 105.19 114.28 2cr0 n GLY 14 Ca 0.08 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.85 -0.52 4.61 0.00 -1.12 -3.68 121.76 118.19 2cr0 s ALA 15 Ca 0.00 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 2cr0 s ALA 15 Cb 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.99 2cr0 s ALA 15 CO 0.00 -0.69 1.03 0.34 0.00 0.00 0.00 175.76 176.44 2cr0 s ASP 16 N 2.49 6.45 0.11 0.00 2.15 0.96 -3.78 116.67 125.05 2cr0 s ASP 16 Ca -0.00 0.01 0.04 0.00 0.43 0.00 0.00 52.55 53.03 2cr0 s ASP 16 Cb -0.12 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 2cr0 s ASP 16 CO -0.11 -1.25 0.08 -0.76 -0.17 0.00 0.00 175.17 172.96 2cr0 s LEU 17 N 4.24 3.71 0.47 -1.34 1.43 -0.96 -4.29 118.68 121.93 2cr0 s LEU 17 Ca 0.38 -0.11 0.31 0.00 -1.03 0.00 0.00 54.13 53.68 2cr0 s LEU 17 Cb -0.10 -2.37 1.29 0.00 0.03 0.00 0.00 46.19 45.04 2cr0 s LEU 17 CO 0.25 0.13 1.91 1.55 0.23 0.00 0.00 176.35 180.42 2cr0 h PRO 18 N 3.00 0.00 0.01 1.29 0.13 -1.96 -2.95 132.00 131.52 2cr0 h PRO 18 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 2cr0 h PRO 18 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2cr0 h PRO 18 CO 0.63 0.00 -1.91 0.09 -0.23 0.00 0.00 178.00 176.58 2cr0 n ASN 19 N -2.83 0.76 -3.58 1.44 4.13 -1.26 -5.03 115.26 108.89 2cr0 n ASN 19 Ca 0.01 0.29 -0.05 0.00 1.68 0.00 0.00 54.58 56.51 2cr0 n ASN 19 Cb 0.27 0.14 -0.02 0.00 -1.54 0.00 0.00 39.78 38.64 2cr0 n ASN 19 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2cr0 s TYR 20 N -2.57 -0.15 -0.13 3.10 -0.85 -1.11 -4.32 117.35 111.32 2cr0 s TYR 20 Ca -0.08 0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.58 2cr0 s TYR 20 Cb 0.07 0.52 -0.00 0.00 0.38 0.00 0.00 41.96 42.93 2cr0 s TYR 20 CO 0.82 -0.25 -0.19 -0.98 -1.52 0.00 0.00 175.55 173.43 2cr0 s ARG 21 N -2.51 3.15 -0.02 -3.49 3.03 -0.85 -2.26 118.95 116.00 2cr0 s ARG 21 Ca 0.09 -0.80 0.02 0.00 2.03 0.00 0.00 55.73 57.06 2cr0 s ARG 21 Cb -0.01 -2.49 0.01 0.00 -1.03 0.00 0.00 34.95 31.43 2cr0 s ARG 21 CO -0.05 0.09 -0.05 1.67 -1.13 0.00 0.00 175.30 175.83 2cr0 s TRP 22 N 0.59 0.61 0.27 5.89 1.48 -1.25 -1.05 118.94 125.48 2cr0 s TRP 22 Ca -0.11 -0.13 0.11 0.00 -1.06 0.00 0.00 56.10 54.91 2cr0 s TRP 22 Cb -0.16 -0.48 -0.05 0.00 -1.16 0.00 0.00 33.47 31.62 2cr0 s TRP 22 CO 0.03 -0.08 -0.15 0.95 -4.06 0.00 0.00 176.95 173.64 2cr0 s THR 23 N 0.33 2.74 -0.02 0.66 -4.23 -0.38 -2.81 115.64 111.94 2cr0 s THR 23 Ca -0.04 -2.24 0.01 0.00 -1.18 0.00 0.00 61.69 58.24 2cr0 s THR 23 Cb -0.08 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.33 2cr0 s THR 23 CO -0.00 -0.37 -0.04 0.00 -0.54 0.00 0.00 174.62 173.66 2cr0 s GLN 24 N -3.49 0.52 0.02 3.99 -2.07 -1.15 0.10 119.66 117.58 2cr0 s GLN 24 Ca 0.30 -0.13 0.03 0.00 -1.82 0.00 0.00 55.36 53.74 2cr0 s GLN 24 Cb -0.06 -0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 31.31 2cr0 s GLN 24 CO 0.16 0.02 -0.09 0.95 -1.32 0.00 0.00 175.29 175.01 2cr0 s THR 25 N 0.33 0.69 0.45 3.63 -4.23 0.42 -4.56 115.64 112.37 2cr0 s THR 25 Ca -0.04 -0.71 0.41 0.00 -1.18 0.00 0.00 61.69 60.17 2cr0 s THR 25 Cb -0.07 -0.64 0.60 0.00 1.34 0.00 0.00 72.50 73.72 2cr0 s THR 25 CO -0.00 -0.04 1.26 0.18 -0.54 0.00 0.00 174.62 175.47 2cr0 n LEU 26 N 2.22 0.00 0.01 4.79 4.77 -1.26 -0.57 117.00 126.95 2cr0 n LEU 26 Ca -0.17 0.80 -0.01 0.00 -0.03 0.00 0.00 56.01 56.60 2cr0 n LEU 26 Cb 0.56 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2cr0 n LEU 26 CO 0.23 -0.80 0.07 0.00 -1.33 0.00 0.00 177.39 175.56 2cr0 h ALA 27 N 0.80 -0.15 -2.89 -1.18 0.00 -1.87 -3.36 119.26 110.60 2cr0 h ALA 27 Ca 0.76 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.46 2cr0 h ALA 27 Cb 3.07 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 20.80 2cr0 h ALA 27 CO -0.01 -0.15 -0.15 -1.83 0.00 0.00 0.00 179.25 177.12 2cr0 s GLU 28 N -1.50 1.82 -0.07 0.00 4.04 0.26 -3.78 118.70 119.48 2cr0 s GLU 28 Ca -0.01 -1.59 0.02 0.00 0.04 0.00 0.00 54.97 53.43 2cr0 s GLU 28 Cb 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 34.13 34.59 2cr0 s GLU 28 CO 0.02 -0.76 -0.12 -1.17 -1.84 0.00 0.00 175.26 171.38 2cr0 s LEU 29 N -3.16 2.83 0.21 1.83 0.20 0.70 -0.44 118.68 120.85 2cr0 s LEU 29 Ca 0.27 -0.18 0.09 0.00 0.69 0.00 0.00 54.13 55.01 2cr0 s LEU 29 Cb -0.01 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 2cr0 s LEU 29 CO 0.16 0.32 -0.09 -1.81 -0.29 0.00 0.00 176.35 174.64 2cr0 s ASP 30 N -0.55 4.21 -0.06 3.68 1.01 0.12 -0.25 116.67 124.83 2cr0 s ASP 30 Ca 0.08 -0.64 -0.09 0.00 0.71 0.00 0.00 52.55 52.60 2cr0 s ASP 30 Cb -0.12 -0.69 0.02 0.00 1.01 0.00 0.00 42.92 43.15 2cr0 s ASP 30 CO 0.02 0.08 0.23 -0.22 0.21 0.00 0.00 175.17 175.49 2cr0 s LEU 31 N -3.04 1.13 -0.20 1.23 2.96 -1.03 -1.25 118.68 118.48 2cr0 s LEU 31 Ca 0.26 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.41 2cr0 s LEU 31 Cb -0.08 0.88 0.08 0.00 0.50 0.00 0.00 46.19 47.57 2cr0 s LEU 31 CO 0.16 -0.21 0.15 0.00 -1.32 0.00 0.00 176.35 175.13 2cr0 s ALA 32 N -0.44 0.15 -0.45 5.97 0.00 -0.22 -1.75 121.76 125.01 2cr0 s ALA 32 Ca -0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 2cr0 s ALA 32 Cb -0.04 -1.22 0.09 0.00 0.00 0.00 0.00 23.12 21.96 2cr0 s ALA 32 CO 0.01 -1.27 0.32 0.08 0.00 0.00 0.00 175.76 174.91 2cr0 s VAL 33 N 2.21 4.49 -0.05 0.00 1.01 -1.13 -2.02 120.40 124.92 2cr0 s VAL 33 Ca 0.05 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 2cr0 s VAL 33 Cb -0.16 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2cr0 s VAL 33 CO -0.14 -0.60 1.49 -2.16 0.00 0.00 0.00 175.10 173.68 2cr0 s PRO 34 N 1.47 4.23 -0.33 2.72 0.04 -1.26 -2.33 135.00 139.53 2cr0 s PRO 34 Ca 0.04 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 63.00 2cr0 s PRO 34 Cb -0.24 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.52 2cr0 s PRO 34 CO 0.02 -0.72 0.14 -0.06 0.04 0.00 0.00 177.00 176.42 2cr0 s PHE 35 N 3.32 3.20 -1.02 0.56 0.08 0.80 -4.98 117.98 119.94 2cr0 s PHE 35 Ca 0.66 -0.91 -0.26 0.00 0.12 0.00 0.00 56.93 56.54 2cr0 s PHE 35 Cb -0.31 -2.34 -0.21 0.00 -0.57 0.00 0.00 43.02 39.60 2cr0 s PHE 35 CO 0.25 -0.58 2.02 0.54 -0.10 0.00 0.00 175.22 177.36 2cr0 n ARG 36 N 4.93 0.52 -4.33 0.44 1.74 -1.26 -4.70 116.66 114.00 2cr0 n ARG 36 Ca -0.13 -1.86 -0.22 0.00 -0.77 0.00 0.00 57.85 54.87 2cr0 n ARG 36 Cb 0.47 -3.75 -0.13 0.00 -1.02 0.00 0.00 32.46 28.03 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2cr0 s VAL 37 N 14.67 1.47 -0.26 1.55 -7.23 -1.26 -5.03 120.40 124.31 2cr0 s VAL 37 Ca 0.77 -1.35 0.13 0.00 -1.81 0.00 0.00 61.98 59.72 2cr0 s VAL 37 Cb -0.02 -1.34 0.67 0.00 0.56 0.00 0.00 36.38 36.25 2cr0 s VAL 37 CO 0.19 -0.05 1.64 -1.20 -0.31 0.00 0.00 175.10 175.37 2cr0 n SER 38 N 1.38 4.49 -2.12 4.85 7.64 -1.26 -4.93 113.62 123.67 2cr0 n SER 38 Ca -0.19 -3.16 -0.09 0.00 1.01 0.00 0.00 58.87 56.44 2cr0 n SER 38 Cb 0.54 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.21 -0.85 -3.19 1.43 -1.74 -1.26 -5.14 117.46 106.49 2cr0 n PHE 39 Ca 0.31 -1.35 -0.39 0.00 -0.56 0.00 0.00 57.45 55.47 2cr0 n PHE 39 Cb 1.16 0.27 -0.05 0.00 1.52 0.00 0.00 39.48 42.38 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 -2.51 4.38 -0.03 3.97 6.06 -1.26 -4.45 118.95 125.12 2cr0 s ARG 40 Ca 0.17 0.64 -0.24 0.00 -2.50 0.00 0.00 55.73 53.80 2cr0 s ARG 40 Cb -0.00 -3.44 -0.04 0.00 0.06 0.00 0.00 34.95 31.52 2cr0 s ARG 40 CO 0.12 0.11 0.74 -0.51 -2.50 0.00 0.00 175.30 173.26 2cr0 s LEU 41 N 0.73 4.36 -0.10 -0.88 1.43 -0.57 -4.99 118.68 118.66 2cr0 s LEU 41 Ca 0.31 1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 54.63 2cr0 s LEU 41 Cb -0.16 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 2cr0 s LEU 41 CO 0.14 -0.08 0.18 -0.54 0.23 0.00 0.00 176.35 176.28 2cr0 s LYS 42 N 0.52 3.53 0.39 1.70 -0.14 -1.26 -4.74 119.74 119.74 2cr0 s LYS 42 Ca 0.39 -0.05 0.24 0.00 -1.36 0.00 0.00 55.97 55.18 2cr0 s LYS 42 Cb -0.19 -3.20 1.38 0.00 -1.68 0.00 0.00 37.83 34.14 2cr0 s LYS 42 CO 0.20 0.76 1.58 0.78 -0.76 0.00 0.00 175.35 177.91 2cr0 h GLY 43 N 4.97 2.05 1.31 -3.33 0.00 -1.97 1.30 103.07 107.40 2cr0 h GLY 43 Ca -0.54 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 46.48 2cr0 h GLY 43 CO 0.59 -0.72 -0.51 0.07 0.00 0.00 0.00 176.54 175.96 2cr0 h LYS 44 N 0.01 0.73 -0.90 4.80 2.10 -2.03 -3.14 116.57 118.15 2cr0 h LYS 44 Ca 0.85 -0.44 0.05 0.00 -2.00 0.00 0.00 60.65 59.11 2cr0 h LYS 44 Cb 2.38 0.04 -0.06 0.00 -0.90 0.00 0.00 32.23 33.69 2cr0 h LYS 44 CO -0.69 1.07 0.57 -0.44 -2.00 0.00 0.00 179.45 177.96 2cr0 h ASP 45 N 0.57 0.93 -3.16 7.07 5.19 0.13 -3.43 116.42 123.72 2cr0 h ASP 45 Ca 0.02 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.91 2cr0 h ASP 45 Cb 1.09 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 2cr0 h ASP 45 CO 0.11 0.62 -0.18 0.68 -3.12 0.00 0.00 179.24 177.35 2cr0 s VAL 46 N -6.08 5.05 -0.26 -1.35 -7.23 -0.84 -1.05 120.40 108.64 2cr0 s VAL 46 Ca -0.13 0.02 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 2cr0 s VAL 46 Cb 0.18 -3.72 0.07 0.00 0.56 0.00 0.00 36.38 33.47 2cr0 s VAL 46 CO 0.80 -0.27 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.62 2cr0 s VAL 47 N -2.02 1.55 -0.22 1.32 1.01 0.61 -4.70 120.40 117.96 2cr0 s VAL 47 Ca 0.43 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2cr0 s VAL 47 Cb -0.11 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2cr0 s VAL 47 CO 0.29 -0.27 -0.12 -0.69 0.00 0.00 0.00 175.10 174.31 2cr0 s VAL 48 N 1.35 1.90 -0.33 2.92 1.01 -1.26 -0.77 120.40 125.21 2cr0 s VAL 48 Ca -0.01 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.63 2cr0 s VAL 48 Cb -0.19 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2cr0 s VAL 48 CO -0.09 0.13 0.14 -0.62 0.00 0.00 0.00 175.10 174.66 2cr0 s ASP 49 N 1.27 5.47 -0.27 3.32 2.15 0.11 -4.94 116.67 123.77 2cr0 s ASP 49 Ca -0.03 -0.80 -0.07 0.00 0.43 0.00 0.00 52.55 52.07 2cr0 s ASP 49 Cb -0.17 -1.96 -0.02 0.00 -0.30 0.00 0.00 42.92 40.47 2cr0 s ASP 49 CO -0.08 -0.27 0.08 -0.63 -0.17 0.00 0.00 175.17 174.10 2cr0 s ILE 50 N 1.54 4.20 0.48 4.11 1.01 -1.26 0.27 121.20 131.54 2cr0 s ILE 50 Ca 0.02 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2cr0 s ILE 50 Cb -0.18 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2cr0 s ILE 50 CO 0.05 0.25 0.02 -1.10 0.00 0.00 0.00 174.94 174.15 2cr0 s GLN 51 N 1.58 2.11 0.11 2.79 -0.21 0.20 -4.97 119.66 121.27 2cr0 s GLN 51 Ca 0.05 -2.32 -0.23 0.00 0.02 0.00 0.00 55.36 52.89 2cr0 s GLN 51 Cb -0.16 -1.45 -0.08 0.00 1.00 0.00 0.00 33.01 32.32 2cr0 s GLN 51 CO 0.03 -0.31 1.70 -0.09 -2.12 0.00 0.00 175.29 174.50 2cr0 h ARG 52 N 1.49 -0.12 -0.59 2.91 9.65 -1.97 -3.29 114.38 122.46 2cr0 h ARG 52 Ca -0.43 0.01 -0.38 0.00 -1.10 0.00 0.00 59.98 58.08 2cr0 h ARG 52 Cb 1.30 0.03 -0.41 0.00 -1.39 0.00 0.00 29.97 29.49 2cr0 h ARG 52 CO 0.74 -0.08 -0.99 -2.13 2.80 0.00 0.00 179.97 180.31 2cr0 n ARG 53 N -5.21 2.54 -3.62 0.20 0.63 -1.26 -1.35 116.66 108.59 2cr0 n ARG 53 Ca -0.05 -3.80 -0.03 0.00 -0.92 0.00 0.00 57.85 53.05 2cr0 n ARG 53 Cb 0.14 -1.90 -0.06 0.00 0.45 0.00 0.00 32.46 31.10 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 -3.71 -1.06 0.01 -0.14 2.46 -1.24 -2.58 115.29 109.03 2cr0 s HIS 54 Ca 0.37 1.98 0.07 0.00 0.47 0.00 0.00 55.06 57.95 2cr0 s HIS 54 Cb 0.36 0.64 -0.02 0.00 -0.13 0.00 0.00 32.58 33.43 2cr0 s HIS 54 CO -0.01 -0.53 -0.21 -1.17 -2.47 0.00 0.00 174.74 170.36 2cr0 s LEU 55 N 2.13 2.09 0.00 8.88 2.96 -1.23 0.59 118.68 134.10 2cr0 s LEU 55 Ca -0.08 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2cr0 s LEU 55 Cb -0.07 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.58 2cr0 s LEU 55 CO -0.19 0.22 -0.00 -0.60 -1.32 0.00 0.00 176.35 174.46 2cr0 s ARG 56 N -0.76 0.08 -0.09 1.98 3.52 0.14 -3.38 118.95 120.44 2cr0 s ARG 56 Ca 0.08 -0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 55.42 2cr0 s ARG 56 Cb -0.08 0.03 0.03 0.00 -1.56 0.00 0.00 34.95 33.37 2cr0 s ARG 56 CO 0.00 -0.01 0.30 0.08 -0.81 0.00 0.00 175.30 174.86 2cr0 s VAL 57 N -0.35 0.01 -2.23 7.11 1.01 0.46 0.06 120.40 126.47 2cr0 s VAL 57 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2cr0 s VAL 57 Cb -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2cr0 s VAL 57 CO -0.00 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2cr0 n GLY 58 N 2.54 -0.64 3.06 4.51 0.00 0.05 -0.62 105.19 114.08 2cr0 n GLY 58 Ca -0.15 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 2.06 0.12 0.99 1.43 -1.26 -0.28 118.68 121.73 2cr0 s LEU 59 Ca 0.00 -0.25 -0.33 0.00 -1.03 0.00 0.00 54.13 52.52 2cr0 s LEU 59 Cb 0.00 -0.51 -0.18 0.00 0.03 0.00 0.00 46.19 45.53 2cr0 s LEU 59 CO 0.00 0.09 0.82 1.17 0.23 0.00 0.00 176.35 178.65 2cr0 n LYS 60 N 2.60 0.13 0.00 1.70 3.00 -0.22 -1.44 118.16 123.93 2cr0 n LYS 60 Ca -0.15 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2cr0 n LYS 60 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.29 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 1.78 1.16 3.65 3.14 0.00 -1.26 -4.91 105.19 108.75 2cr0 n GLY 61 Ca 0.18 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 0.76 0.41 1.61 -0.21 -0.52 -4.96 119.66 116.74 2cr0 s GLN 62 Ca 0.00 1.39 -0.25 0.00 0.02 0.00 0.00 55.36 56.52 2cr0 s GLN 62 Cb 0.00 -1.71 -0.08 0.00 1.00 0.00 0.00 33.01 32.22 2cr0 s GLN 62 CO 0.00 -2.76 1.19 -1.25 -2.12 0.00 0.00 175.29 170.35 2cr0 s PRO 63 N -4.64 4.02 -0.28 2.91 0.04 -1.26 -4.38 135.00 131.40 2cr0 s PRO 63 Ca 0.67 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2cr0 s PRO 63 Cb -0.23 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 2cr0 s PRO 63 CO 0.59 -0.36 1.65 -1.25 0.04 0.00 0.00 177.00 177.67 2cr0 s PRO 64 N -2.32 3.62 0.43 0.56 0.04 -1.26 -4.38 135.00 131.68 2cr0 s PRO 64 Ca 0.58 1.49 0.14 0.00 0.04 0.00 0.00 61.00 63.25 2cr0 s PRO 64 Cb -0.31 -4.09 1.03 0.00 0.04 0.00 0.00 34.50 31.16 2cr0 s PRO 64 CO 0.40 -1.51 1.96 -0.24 0.04 0.00 0.00 177.00 177.64 2cr0 h VAL 65 N 6.41 0.86 -3.22 -0.36 3.04 -1.24 -3.38 116.25 118.36 2cr0 h VAL 65 Ca -0.33 -0.15 -0.54 0.00 -1.01 0.00 0.00 66.70 64.68 2cr0 h VAL 65 Cb 1.15 0.40 -0.37 0.00 -2.01 0.00 0.00 31.29 30.46 2cr0 h VAL 65 CO 1.02 0.08 -0.80 -0.69 -1.01 0.00 0.00 177.57 176.17 2cr0 s VAL 66 N -5.41 1.07 -0.24 1.51 1.01 -0.75 -5.00 120.40 112.59 2cr0 s VAL 66 Ca -0.08 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2cr0 s VAL 66 Cb 0.20 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.56 2cr0 s VAL 66 CO 0.76 0.30 0.49 1.51 0.00 0.00 0.00 175.10 178.15 2cr0 s ASP 67 N 1.68 -0.51 0.00 3.32 -4.77 -1.26 -0.40 116.67 114.72 2cr0 s ASP 67 Ca 0.04 1.01 0.00 0.00 -3.30 0.00 0.00 52.55 50.29 2cr0 s ASP 67 Cb -0.13 1.63 0.00 0.00 -1.09 0.00 0.00 42.92 43.33 2cr0 s ASP 67 CO -0.08 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.16 2cr0 n GLY 68 N 5.41 1.61 3.73 2.12 0.00 -1.22 -4.85 105.19 111.99 2cr0 n GLY 68 Ca -0.08 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 4.23 0.16 1.61 2.12 -1.26 -3.55 118.70 120.01 2cr0 s GLU 69 Ca 0.00 2.36 -0.30 0.00 0.36 0.00 0.00 54.97 57.39 2cr0 s GLU 69 Cb 0.00 -3.12 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 2cr0 s GLU 69 CO 0.00 -0.52 1.24 -0.51 -0.54 0.00 0.00 175.26 174.93 2cr0 s LEU 70 N 0.21 4.42 0.28 2.70 1.43 -1.06 -1.45 118.68 125.21 2cr0 s LEU 70 Ca 0.64 2.25 -0.04 0.00 -1.03 0.00 0.00 54.13 55.95 2cr0 s LEU 70 Cb -0.43 -3.60 0.55 0.00 0.03 0.00 0.00 46.19 42.74 2cr0 s LEU 70 CO 0.39 -0.45 1.59 0.22 0.23 0.00 0.00 176.35 178.33 2cr0 h TYR 71 N 5.63 -0.20 -4.64 0.29 3.20 -1.76 -3.43 116.97 116.06 2cr0 h TYR 71 Ca -0.44 0.07 -0.46 0.00 3.14 0.00 0.00 58.73 61.04 2cr0 h TYR 71 Cb 1.21 0.23 -0.13 0.00 1.54 0.00 0.00 36.73 39.58 2cr0 h TYR 71 CO 0.63 -0.37 -0.50 1.21 -1.64 0.00 0.00 178.16 177.49 2cr0 s ASN 72 N -5.15 1.69 0.60 -2.11 3.04 -1.26 -5.08 114.94 106.67 2cr0 s ASN 72 Ca -0.14 -1.73 -0.18 0.00 0.04 0.00 0.00 52.86 50.86 2cr0 s ASN 72 Cb 0.26 0.54 -0.03 0.00 -1.54 0.00 0.00 41.25 40.48 2cr0 s ASN 72 CO 0.77 -1.03 1.14 -1.61 -3.04 0.00 0.00 177.10 173.32 2cr0 s GLU 73 N -3.53 3.04 -0.13 0.43 2.02 -1.26 -4.76 118.70 114.51 2cr0 s GLU 73 Ca 0.39 1.57 -0.05 0.00 0.02 0.00 0.00 54.97 56.90 2cr0 s GLU 73 Cb 0.03 -1.97 0.06 0.00 0.10 0.00 0.00 34.13 32.35 2cr0 s GLU 73 CO 0.25 -1.10 0.26 0.14 0.02 0.00 0.00 175.26 174.83 2cr0 s VAL 74 N -1.96 -0.37 -0.93 2.63 -7.23 -0.46 -3.68 120.40 108.40 2cr0 s VAL 74 Ca 0.71 0.27 -0.23 0.00 -1.81 0.00 0.00 61.98 60.93 2cr0 s VAL 74 Cb -0.24 -0.43 -0.24 0.00 0.56 0.00 0.00 36.38 36.03 2cr0 s VAL 74 CO 0.34 0.11 2.46 1.17 -0.31 0.00 0.00 175.10 178.88 2cr0 n LYS 75 N 5.24 0.15 0.02 4.82 4.81 0.18 -4.53 118.16 128.83 2cr0 n LYS 75 Ca -0.08 -0.06 -0.15 0.00 -0.87 0.00 0.00 58.31 57.15 2cr0 n LYS 75 Cb 0.50 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.82 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 7.61 1.32 -0.02 3.15 3.04 -1.88 0.40 116.25 129.87 2cr0 h VAL 76 Ca -0.04 -2.10 0.01 0.00 -1.01 0.00 0.00 66.70 63.56 2cr0 h VAL 76 Cb 1.22 2.11 -0.00 0.00 -2.01 0.00 0.00 31.29 32.61 2cr0 h VAL 76 CO 1.42 0.65 0.03 -0.33 -1.01 0.00 0.00 177.57 178.33 2cr0 h GLU 77 N 0.41 0.00 0.00 4.17 4.39 -1.95 -2.90 114.58 118.70 2cr0 h GLU 77 Ca -0.06 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.35 2cr0 h GLU 77 Cb 1.43 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.02 2cr0 h GLU 77 CO 0.16 0.00 -2.09 0.39 -1.16 0.00 0.00 179.01 176.30 2cr0 n GLU 78 N -3.62 0.54 -1.27 2.33 -0.58 -1.16 -5.01 120.64 111.87 2cr0 n GLU 78 Ca -0.02 0.10 -0.37 0.00 -0.42 0.00 0.00 57.16 56.45 2cr0 n GLU 78 Cb 0.12 -1.39 0.06 0.00 -0.57 0.00 0.00 31.44 29.66 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 -3.04 -1.55 -3.59 1.62 7.64 0.14 -4.98 113.62 109.86 2cr0 n SER 79 Ca -0.34 0.59 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 2cr0 n SER 79 Cb 0.87 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.39 -0.09 0.23 6.43 0.01 -1.01 -4.91 113.70 112.96 2cr0 s SER 80 Ca 0.64 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.40 2cr0 s SER 80 Cb -0.36 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2cr0 s SER 80 CO 0.59 -0.88 0.19 -1.66 0.41 0.00 0.00 173.24 171.89 2cr0 s TRP 81 N -2.76 1.17 -0.13 2.43 1.48 -1.26 0.13 118.94 119.99 2cr0 s TRP 81 Ca 0.16 -1.36 -0.27 0.00 -1.06 0.00 0.00 56.10 53.57 2cr0 s TRP 81 Cb -0.01 -0.50 0.07 0.00 -1.16 0.00 0.00 33.47 31.87 2cr0 s TRP 81 CO 0.03 -0.72 0.66 -0.48 -4.06 0.00 0.00 176.95 172.38 2cr0 s LEU 82 N -3.18 -0.54 -0.12 -4.66 0.05 -0.16 -4.99 118.68 105.08 2cr0 s LEU 82 Ca 0.37 0.94 -0.28 0.00 0.05 0.00 0.00 54.13 55.22 2cr0 s LEU 82 Cb 0.05 2.38 -0.01 0.00 -2.05 0.00 0.00 46.19 46.56 2cr0 s LEU 82 CO 0.14 -0.45 0.94 -0.63 -0.55 0.00 0.00 176.35 175.80 2cr0 s ILE 83 N -0.58 4.83 -0.21 1.48 1.01 -1.26 -1.78 121.20 124.69 2cr0 s ILE 83 Ca -0.07 1.89 -0.09 0.00 0.00 0.00 0.00 60.65 62.38 2cr0 s ILE 83 Cb -0.02 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2cr0 s ILE 83 CO 0.06 0.03 0.11 -1.61 0.00 0.00 0.00 174.94 173.53 2cr0 s GLU 84 N 1.93 4.05 -1.37 2.79 0.41 0.11 -4.45 118.70 122.17 2cr0 s GLU 84 Ca 0.45 -0.29 -0.16 0.00 -0.41 0.00 0.00 54.97 54.56 2cr0 s GLU 84 Cb -0.18 -3.37 0.15 0.00 -1.78 0.00 0.00 34.13 28.95 2cr0 s GLU 84 CO 0.17 0.20 0.48 -0.25 -0.49 0.00 0.00 175.26 175.37 2cr0 n ASP 85 N 3.81 -2.19 -1.87 -0.19 8.00 -1.26 -0.42 116.55 122.42 2cr0 n ASP 85 Ca -0.16 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2cr0 n ASP 85 Cb 0.52 -1.89 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 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 -1.01 -0.31 0.00 0.44 0.00 -1.26 -4.47 105.19 98.58 2cr0 n GLY 86 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.82 2.33 -4.35 1.61 2.85 0.44 -1.51 118.16 117.70 2cr0 n LYS 87 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 2cr0 n LYS 87 Cb 0.31 -0.78 -0.10 0.00 -0.65 0.00 0.00 35.03 33.81 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 -1.46 1.83 -0.32 0.58 1.01 -0.01 -0.14 120.40 121.90 2cr0 s VAL 88 Ca 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 61.98 59.89 2cr0 s VAL 88 Cb 0.00 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.50 2cr0 s VAL 88 CO 0.00 -0.47 0.06 -0.69 0.00 0.00 0.00 175.10 174.00 2cr0 s VAL 89 N -2.55 1.64 0.07 2.92 1.01 -0.98 0.08 120.40 122.59 2cr0 s VAL 89 Ca 0.20 -1.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.10 2cr0 s VAL 89 Cb -0.03 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 2cr0 s VAL 89 CO 0.07 -0.58 0.66 0.42 0.00 0.00 0.00 175.10 175.67 2cr0 s THR 90 N 1.24 4.68 -0.15 3.92 -4.23 -0.74 -2.83 115.64 117.53 2cr0 s THR 90 Ca 0.09 1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 62.01 2cr0 s THR 90 Cb -0.18 -4.00 0.04 0.00 1.34 0.00 0.00 72.50 69.69 2cr0 s THR 90 CO -0.15 0.48 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.67 2cr0 s VAL 91 N -0.73 1.06 -0.20 2.29 1.01 -0.72 -0.99 120.40 122.12 2cr0 s VAL 91 Ca 0.33 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 2cr0 s VAL 91 Cb -0.20 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2cr0 s VAL 91 CO 0.21 0.17 0.64 -2.28 0.00 0.00 0.00 175.10 173.83 2cr0 s HIS 92 N 1.66 3.37 -0.24 5.22 2.46 0.12 -2.46 115.29 125.41 2cr0 s HIS 92 Ca 0.02 0.93 -0.03 0.00 0.47 0.00 0.00 55.06 56.44 2cr0 s HIS 92 Cb -0.15 -2.81 0.01 0.00 -0.13 0.00 0.00 32.58 29.50 2cr0 s HIS 92 CO -0.08 -0.19 -0.03 -0.51 -2.47 0.00 0.00 174.74 171.46 2cr0 s LEU 93 N 1.96 3.15 -0.14 8.88 1.43 0.66 -2.41 118.68 132.20 2cr0 s LEU 93 Ca 0.29 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.50 2cr0 s LEU 93 Cb -0.16 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2cr0 s LEU 93 CO 0.10 -0.09 0.87 -0.70 0.23 0.00 0.00 176.35 176.77 2cr0 s GLU 94 N 1.42 4.34 -0.49 1.70 2.56 -1.26 -0.22 118.70 126.76 2cr0 s GLU 94 Ca 0.03 1.11 -0.27 0.00 0.00 0.00 0.00 54.97 55.85 2cr0 s GLU 94 Cb -0.16 -3.56 0.03 0.00 2.00 0.00 0.00 34.13 32.45 2cr0 s GLU 94 CO -0.03 -0.29 1.02 0.15 -0.56 0.00 0.00 175.26 175.55 2cr0 s LYS 95 N 2.01 3.56 0.24 4.30 1.02 -1.25 -0.65 119.74 128.97 2cr0 s LYS 95 Ca 0.41 0.24 0.08 0.00 0.02 0.00 0.00 55.97 56.72 2cr0 s LYS 95 Cb -0.17 -3.95 0.73 0.00 -0.52 0.00 0.00 37.83 33.93 2cr0 s LYS 95 CO 0.14 -1.35 1.09 -0.89 -0.92 0.00 0.00 175.35 173.42 2cr0 n ILE 96 N 6.55 -0.29 -4.02 2.17 2.08 -1.24 -3.55 119.36 121.07 2cr0 n ILE 96 Ca 0.08 1.47 -0.34 0.00 0.56 0.00 0.00 62.75 64.52 2cr0 n ILE 96 Cb 0.49 -2.26 -0.15 0.00 -0.75 0.00 0.00 39.64 36.96 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 -4.84 3.99 0.47 4.38 0.01 -1.26 -4.97 114.94 112.71 2cr0 s ASN 97 Ca -0.08 -0.83 0.31 0.00 -0.71 0.00 0.00 52.86 51.56 2cr0 s ASN 97 Cb 0.22 -1.60 1.33 0.00 0.41 0.00 0.00 41.25 41.61 2cr0 s ASN 97 CO 0.54 -0.09 1.92 0.11 -1.51 0.00 0.00 177.10 178.08 2cr0 h LYS 98 N 7.97 0.00 -1.05 -0.60 1.79 -1.71 -2.71 116.57 120.26 2cr0 h LYS 98 Ca -0.36 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.67 2cr0 h LYS 98 Cb 1.11 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.52 2cr0 h LYS 98 CO 0.58 0.00 0.57 -1.33 -1.08 0.00 0.00 179.45 178.19 2cr0 n MET 99 N -2.81 2.09 -4.11 3.15 2.81 -1.26 -4.12 117.12 112.87 2cr0 n MET 99 Ca 0.01 -2.46 -0.14 0.00 -1.81 0.00 0.00 57.70 53.29 2cr0 n MET 99 Cb 0.26 -1.97 -0.13 0.00 -0.71 0.00 0.00 33.22 30.67 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 -2.75 0.45 0.54 0.03 2.56 -1.02 -5.14 118.70 113.37 2cr0 s GLU 100 Ca 0.47 -0.42 0.09 0.00 0.00 0.00 0.00 54.97 55.11 2cr0 s GLU 100 Cb 0.39 -0.34 0.07 0.00 2.00 0.00 0.00 34.13 36.24 2cr0 s GLU 100 CO 0.06 0.08 0.71 -1.58 -0.56 0.00 0.00 175.26 173.97 2cr0 s TRP 101 N -0.66 1.74 -0.02 5.30 0.52 -1.26 -4.49 118.94 120.07 2cr0 s TRP 101 Ca -0.03 -0.66 0.03 0.00 0.02 0.00 0.00 56.10 55.46 2cr0 s TRP 101 Cb -0.05 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 30.04 2cr0 s TRP 101 CO 0.00 -0.93 -0.12 -1.58 0.02 0.00 0.00 176.95 174.34 2cr0 s TRP 102 N -2.61 1.13 -0.16 -1.98 0.52 -1.26 -5.03 118.94 109.55 2cr0 s TRP 102 Ca 0.58 -0.25 0.17 0.00 0.02 0.00 0.00 56.10 56.63 2cr0 s TRP 102 Cb -0.06 -0.75 -0.04 0.00 -1.15 0.00 0.00 33.47 31.47 2cr0 s TRP 102 CO 0.36 -0.06 1.07 -0.97 0.02 0.00 0.00 176.95 177.38 2cr0 h ASN 103 N 6.03 0.00 -5.75 2.95 -0.73 -1.97 -3.47 115.58 112.65 2cr0 h ASN 103 Ca -0.33 0.00 0.32 0.00 1.87 0.00 0.00 56.30 58.16 2cr0 h ASN 103 Cb 1.17 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 39.64 2cr0 h ASN 103 CO 0.49 0.44 0.81 0.00 -0.37 0.00 0.00 177.43 178.79 2cr0 s ARG 104 N -3.02 0.46 -0.05 6.67 1.70 -1.26 -2.51 118.95 120.94 2cr0 s ARG 104 Ca -0.00 -0.26 -0.16 0.00 -0.47 0.00 0.00 55.73 54.85 2cr0 s ARG 104 Cb 0.08 0.16 -0.10 0.00 -0.57 0.00 0.00 34.95 34.52 2cr0 s ARG 104 CO 0.78 -0.21 0.65 1.25 -1.08 0.00 0.00 175.30 176.69 2cr0 h LEU 105 N 2.00 -0.34 -8.15 -1.89 5.85 -1.92 -3.39 115.31 107.47 2cr0 h LEU 105 Ca -0.30 -0.09 -0.35 0.00 0.84 0.00 0.00 57.88 57.97 2cr0 h LEU 105 Cb 1.20 0.09 -0.25 0.00 0.37 0.00 0.00 40.66 42.08 2cr0 h LEU 105 CO 0.28 0.13 -0.76 0.68 -0.34 0.00 0.00 178.44 178.43 2cr0 s VAL 106 N -3.21 0.72 0.35 1.05 -7.23 -1.26 -3.34 120.40 107.47 2cr0 s VAL 106 Ca -0.09 -0.79 0.16 0.00 -1.81 0.00 0.00 61.98 59.46 2cr0 s VAL 106 Cb 0.01 -0.68 0.35 0.00 0.56 0.00 0.00 36.38 36.62 2cr0 s VAL 106 CO 0.29 -0.08 1.52 0.35 -0.31 0.00 0.00 175.10 176.87 2cr0 n THR 107 N 2.09 -0.41 -0.30 5.32 -2.24 -0.53 0.17 114.28 118.38 2cr0 n THR 107 Ca -0.18 2.00 0.02 0.00 -2.27 0.00 0.00 64.05 63.62 2cr0 n THR 107 Cb 0.56 -3.17 0.16 0.00 -2.10 0.00 0.00 70.33 65.77 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 0.78 -4.29 3.42 0.87 -1.89 -3.43 113.55 109.01 2cr0 h SER 108 Ca 0.77 0.03 -0.52 0.00 -1.23 0.00 0.00 61.79 60.84 2cr0 h SER 108 Cb 1.97 -0.13 0.16 0.00 -0.44 0.00 0.00 62.40 63.96 2cr0 h SER 108 CO -0.78 0.47 0.28 -1.81 -0.53 0.00 0.00 176.83 174.46 2cr0 s ASP 109 N -5.70 3.80 0.99 6.23 1.11 0.45 -5.02 116.67 118.53 2cr0 s ASP 109 Ca -0.12 1.99 -0.12 0.00 0.18 0.00 0.00 52.55 54.48 2cr0 s ASP 109 Cb 0.19 -2.54 0.18 0.00 1.07 0.00 0.00 42.92 41.82 2cr0 s ASP 109 CO 0.79 -2.51 1.09 -2.16 1.18 0.00 0.00 175.17 173.56 2cr0 s PRO 110 N -4.77 0.51 0.08 8.23 0.04 -1.26 -4.85 135.00 132.98 2cr0 s PRO 110 Ca 0.64 0.56 0.02 0.00 0.04 0.00 0.00 61.00 62.26 2cr0 s PRO 110 Cb -0.20 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2cr0 s PRO 110 CO 0.57 -2.69 0.14 -1.21 0.04 0.00 0.00 177.00 173.85 2cr0 s GLU 111 N -4.95 3.12 -0.02 4.56 2.02 -1.26 -4.62 118.70 117.54 2cr0 s GLU 111 Ca 0.65 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.06 2cr0 s GLU 111 Cb -0.19 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2cr0 s GLU 111 CO 0.58 0.57 -0.07 0.96 0.02 0.00 0.00 175.26 177.32 2cr0 s ILE 112 N -1.48 0.62 -0.12 -1.63 -4.36 -1.04 -5.06 121.20 108.13 2cr0 s ILE 112 Ca 0.32 -0.28 -0.35 0.00 -0.26 0.00 0.00 60.65 60.09 2cr0 s ILE 112 Cb -0.12 -0.56 -0.12 0.00 1.25 0.00 0.00 42.46 42.90 2cr0 s ILE 112 CO 0.25 0.20 1.89 -3.20 0.24 0.00 0.00 174.94 174.32 2cr0 n ASN 113 N 3.31 3.34 -4.45 4.36 2.85 -1.26 -4.78 115.26 118.62 2cr0 n ASN 113 Ca -0.18 0.94 -0.34 0.00 -0.11 0.00 0.00 54.58 54.90 2cr0 n ASN 113 Cb 0.55 -1.35 -0.13 0.00 1.24 0.00 0.00 39.78 40.08 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2cr0 s THR 114 N 4.28 3.64 0.14 -0.44 -4.23 -1.26 -5.11 115.64 112.65 2cr0 s THR 114 Ca 0.94 -0.44 0.05 0.00 -1.18 0.00 0.00 61.69 61.06 2cr0 s THR 114 Cb -0.72 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 2cr0 s THR 114 CO 0.52 0.49 0.07 -0.75 -0.54 0.00 0.00 174.62 174.42 2cr0 s LYS 115 N 0.45 2.72 -0.07 3.99 2.47 -1.26 -5.12 119.74 122.92 2cr0 s LYS 115 Ca -0.05 -0.88 0.00 0.00 -1.56 0.00 0.00 55.97 53.48 2cr0 s LYS 115 Cb -0.15 -2.58 0.02 0.00 -1.46 0.00 0.00 37.83 33.67 2cr0 s LYS 115 CO 0.03 0.50 -0.05 0.45 0.16 0.00 0.00 175.35 176.45 2cr0 s SER 116 N -2.79 1.54 0.01 1.43 0.15 -1.26 -5.03 113.70 107.75 2cr0 s SER 116 Ca 0.29 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.77 2cr0 s SER 116 Cb -0.11 -0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 63.60 2cr0 s SER 116 CO 0.21 -0.10 -0.05 -0.83 1.20 0.00 0.00 173.24 173.68 2cr0 s GLY 117 N 1.39 0.27 0.00 9.45 0.00 -1.26 -5.01 107.32 112.16 2cr0 s GLY 117 Ca -0.03 -0.39 0.11 0.00 0.00 0.00 0.00 44.72 44.41 2cr0 s GLY 117 CO -0.03 -0.40 1.08 -1.55 0.00 0.00 0.00 173.10 172.20 2cr0 n PRO 118 N 2.35 0.49 -0.98 2.90 -0.04 -1.26 -4.89 135.00 133.57 2cr0 n PRO 118 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 2cr0 n PRO 118 Cb 0.57 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.65 2cr0 n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr0 n SER 119 N -0.84 -0.39 -3.86 3.54 2.88 -1.26 -4.53 113.62 109.15 2cr0 n SER 119 Ca 0.08 0.77 -0.53 0.00 -1.33 0.00 0.00 58.87 57.86 2cr0 n SER 119 Cb 0.04 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 62.79 2cr0 n SER 119 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cr0 n SER 120 N 1.17 0.54 0.00 -3.46 2.88 -1.26 -5.28 113.62 108.21 2cr0 n SER 120 Ca 0.13 0.98 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 2cr0 n SER 120 Cb 0.11 -0.75 0.70 0.00 -0.75 0.00 0.00 64.21 63.52 2cr0 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42