#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 -0.45 -0.20 1.61 1.04 -1.26 -5.08 113.70 109.36 2cr0 s SER 2 Ca 0.00 0.83 -0.17 0.00 0.48 0.00 0.00 55.95 57.09 2cr0 s SER 2 Cb 0.00 0.83 -0.14 0.00 0.10 0.00 0.00 66.02 66.81 2cr0 s SER 2 CO 0.00 -0.17 -0.00 -1.20 0.98 0.00 0.00 173.24 172.84 2cr0 n SER 3 N 2.06 1.87 0.00 7.02 7.64 -1.26 -4.92 113.62 126.04 2cr0 n SER 3 Ca -0.12 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2cr0 n SER 3 Cb 0.56 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2cr0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cr0 n GLY 4 N 1.44 0.92 3.20 0.23 0.00 -1.26 -4.69 105.19 105.03 2cr0 n GLY 4 Ca -0.30 0.76 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 2cr0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cr0 n SER 5 N 3.11 -1.87 -4.89 1.61 3.41 -1.26 -4.89 113.62 108.84 2cr0 n SER 5 Ca 0.00 -0.15 -0.31 0.00 -0.26 0.00 0.00 58.87 58.15 2cr0 n SER 5 Cb 0.00 -1.67 -0.05 0.00 -0.26 0.00 0.00 64.21 62.24 2cr0 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr0 s SER 6 N -2.46 6.56 0.00 4.04 0.01 -1.26 -4.28 113.70 116.31 2cr0 s SER 6 Ca 0.29 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2cr0 s SER 6 Cb -0.17 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2cr0 s SER 6 CO 0.36 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2cr0 n GLY 7 N -0.19 2.08 3.20 3.44 0.00 -1.26 -4.35 105.19 108.12 2cr0 n GLY 7 Ca -0.01 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 2cr0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr0 s LYS 8 N -0.65 0.92 -0.23 1.61 1.02 -1.16 -4.84 119.74 116.40 2cr0 s LYS 8 Ca 0.00 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 2cr0 s LYS 8 Cb 0.00 -0.78 -0.02 0.00 -0.52 0.00 0.00 37.83 36.50 2cr0 s LYS 8 CO 0.00 0.15 1.62 -1.25 -0.92 0.00 0.00 175.35 174.95 2cr0 s PRO 9 N -2.44 3.76 0.50 -1.68 0.04 -1.26 -0.32 135.00 133.60 2cr0 s PRO 9 Ca 0.05 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.66 2cr0 s PRO 9 Cb -0.06 -4.04 0.11 0.00 0.04 0.00 0.00 34.50 30.55 2cr0 s PRO 9 CO 0.02 -1.34 0.69 0.27 0.04 0.00 0.00 177.00 176.68 2cr0 n ASN 10 N 8.58 0.41 -0.21 6.66 0.23 -1.24 -4.89 115.26 124.79 2cr0 n ASN 10 Ca 0.19 -1.47 0.03 0.00 -0.53 0.00 0.00 54.58 52.81 2cr0 n ASN 10 Cb 0.45 -0.49 0.29 0.00 -2.08 0.00 0.00 39.78 37.95 2cr0 n ASN 10 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2cr0 h LEU 11 N 0.00 0.79 -2.99 -4.53 3.38 -1.94 -2.40 115.31 107.61 2cr0 h LEU 11 Ca -0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2cr0 h LEU 11 Cb 0.71 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2cr0 h LEU 11 CO 0.19 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2cr0 n GLY 12 N -1.43 2.49 3.22 0.83 0.00 -1.26 -4.76 105.19 104.28 2cr0 n GLY 12 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 1.49 -1.14 0.00 1.61 3.02 -0.90 -1.79 115.26 117.54 2cr0 n ASN 13 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 2cr0 n ASN 13 Cb 0.50 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.76 3.75 3.14 7.41 0.00 -1.25 -4.42 105.19 113.05 2cr0 n GLY 14 Ca 0.06 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.44 -0.87 -0.50 4.61 0.00 -1.05 -3.58 121.76 117.92 2cr0 s ALA 15 Ca 0.00 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2cr0 s ALA 15 Cb 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.97 2cr0 s ALA 15 CO 0.00 -0.70 1.00 0.34 0.00 0.00 0.00 175.76 176.39 2cr0 s ASP 16 N 2.52 6.48 0.13 0.00 -1.08 0.56 -3.69 116.67 121.59 2cr0 s ASP 16 Ca -0.00 0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.16 2cr0 s ASP 16 Cb -0.12 -2.48 -0.04 0.00 -1.46 0.00 0.00 42.92 38.82 2cr0 s ASP 16 CO -0.11 -1.17 0.04 -0.76 0.52 0.00 0.00 175.17 173.69 2cr0 s LEU 17 N 4.06 3.55 0.53 -1.34 1.43 -0.94 -3.01 118.68 122.96 2cr0 s LEU 17 Ca 0.38 -0.20 0.33 0.00 -1.03 0.00 0.00 54.13 53.62 2cr0 s LEU 17 Cb -0.10 -2.23 1.38 0.00 0.03 0.00 0.00 46.19 45.28 2cr0 s LEU 17 CO 0.26 0.13 1.98 1.55 0.23 0.00 0.00 176.35 180.49 2cr0 h PRO 18 N 2.98 0.00 0.02 1.29 0.13 -1.96 -2.99 132.00 131.47 2cr0 h PRO 18 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.33 2cr0 h PRO 18 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2cr0 h PRO 18 CO 0.61 0.00 -1.90 0.09 -0.23 0.00 0.00 178.00 176.56 2cr0 n ASN 19 N -3.01 1.00 -3.56 1.44 4.13 -1.26 -5.03 115.26 108.98 2cr0 n ASN 19 Ca 0.01 0.29 -0.06 0.00 1.68 0.00 0.00 54.58 56.49 2cr0 n ASN 19 Cb 0.29 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.46 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 -0.22 -0.07 3.10 -0.85 -1.13 -4.31 117.35 111.30 2cr0 s TYR 20 Ca -0.10 0.14 0.05 0.00 -0.52 0.00 0.00 57.07 56.64 2cr0 s TYR 20 Cb 0.07 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 2cr0 s TYR 20 CO 0.81 -0.34 -0.22 -0.98 -1.52 0.00 0.00 175.55 173.29 2cr0 s ARG 21 N -2.68 2.68 -0.01 -3.49 1.70 -0.89 -2.21 118.95 114.05 2cr0 s ARG 21 Ca 0.07 -0.85 -0.02 0.00 -0.47 0.00 0.00 55.73 54.46 2cr0 s ARG 21 Cb -0.01 -2.25 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 2cr0 s ARG 21 CO -0.06 0.38 0.05 1.67 -1.08 0.00 0.00 175.30 176.25 2cr0 s TRP 22 N -0.14 0.01 0.46 5.89 1.48 -1.24 -0.95 118.94 124.44 2cr0 s TRP 22 Ca -0.04 0.00 0.05 0.00 -1.06 0.00 0.00 56.10 55.05 2cr0 s TRP 22 Cb -0.14 -0.02 -0.04 0.00 -1.16 0.00 0.00 33.47 32.11 2cr0 s TRP 22 CO 0.04 -0.08 0.08 0.95 -4.06 0.00 0.00 176.95 173.88 2cr0 s THR 23 N -0.35 1.74 -0.20 0.66 -4.23 0.78 -2.54 115.64 111.50 2cr0 s THR 23 Ca -0.04 -1.89 -0.16 0.00 -1.18 0.00 0.00 61.69 58.43 2cr0 s THR 23 Cb -0.03 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.24 2cr0 s THR 23 CO 0.00 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.59 2cr0 s GLN 24 N -3.86 0.56 0.21 3.99 -2.07 -0.74 -1.73 119.66 116.03 2cr0 s GLN 24 Ca 0.26 0.80 0.03 0.00 -1.82 0.00 0.00 55.36 54.63 2cr0 s GLN 24 Cb 0.05 0.20 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 2cr0 s GLN 24 CO 0.14 -0.10 0.11 0.25 -1.32 0.00 0.00 175.29 174.37 2cr0 n THR 25 N 3.34 0.00 0.81 3.63 -2.24 -0.87 -4.37 114.28 114.58 2cr0 n THR 25 Ca -0.17 -1.33 -0.01 0.00 -2.27 0.00 0.00 64.05 60.27 2cr0 n THR 25 Cb 0.56 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 69.36 2cr0 n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2cr0 n LEU 26 N 0.00 2.60 0.04 3.22 4.77 -1.26 -3.82 117.00 122.55 2cr0 n LEU 26 Ca -0.01 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2cr0 n LEU 26 Cb 0.34 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2cr0 n LEU 26 CO 0.18 0.45 -0.09 0.00 -1.33 0.00 0.00 177.39 176.59 2cr0 n ALA 27 N 0.24 3.00 -3.83 -1.18 0.00 -1.25 -4.26 120.51 113.24 2cr0 n ALA 27 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 2cr0 n ALA 27 Cb 0.50 0.11 0.01 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.00 1.91 -0.10 0.00 1.03 -1.25 -3.66 118.70 114.63 2cr0 s GLU 28 Ca 0.00 -1.17 0.02 0.00 0.03 0.00 0.00 54.97 53.84 2cr0 s GLU 28 Cb 0.00 0.58 -0.02 0.00 -0.80 0.00 0.00 34.13 33.89 2cr0 s GLU 28 CO 0.00 -0.89 -0.14 -1.17 -1.33 0.00 0.00 175.26 171.73 2cr0 s LEU 29 N -3.05 2.68 -0.09 1.83 0.20 0.64 -2.05 118.68 118.84 2cr0 s LEU 29 Ca 0.14 -0.29 0.00 0.00 0.69 0.00 0.00 54.13 54.68 2cr0 s LEU 29 Cb -0.05 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2cr0 s LEU 29 CO 0.09 0.23 -0.09 -1.81 -0.29 0.00 0.00 176.35 174.48 2cr0 s ASP 30 N -0.07 4.39 -0.04 3.68 1.11 -0.70 -1.03 116.67 124.01 2cr0 s ASP 30 Ca -0.03 -0.15 0.02 0.00 0.18 0.00 0.00 52.55 52.58 2cr0 s ASP 30 Cb -0.14 -1.30 0.01 0.00 1.07 0.00 0.00 42.92 42.56 2cr0 s ASP 30 CO 0.04 0.28 -0.10 -0.22 1.18 0.00 0.00 175.17 176.35 2cr0 s LEU 31 N -0.33 1.71 -0.20 1.23 2.96 -1.14 -0.16 118.68 122.75 2cr0 s LEU 31 Ca 0.04 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2cr0 s LEU 31 Cb -0.13 -0.62 0.05 0.00 0.50 0.00 0.00 46.19 46.00 2cr0 s LEU 31 CO 0.02 0.05 -0.01 0.00 -1.32 0.00 0.00 176.35 175.09 2cr0 s ALA 32 N 0.37 1.41 -0.46 5.97 0.00 -0.12 -1.34 121.76 127.58 2cr0 s ALA 32 Ca -0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 2cr0 s ALA 32 Cb -0.11 -1.23 0.10 0.00 0.00 0.00 0.00 23.12 21.88 2cr0 s ALA 32 CO 0.01 -1.06 0.34 0.08 0.00 0.00 0.00 175.76 175.14 2cr0 s VAL 33 N 1.66 4.49 -0.05 0.00 1.01 -1.15 -2.10 120.40 124.25 2cr0 s VAL 33 Ca -0.02 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 2cr0 s VAL 33 Cb -0.17 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2cr0 s VAL 33 CO -0.07 -0.67 1.50 -2.16 0.00 0.00 0.00 175.10 173.69 2cr0 s PRO 34 N 1.45 4.22 -0.28 2.72 0.04 -1.26 -2.18 135.00 139.72 2cr0 s PRO 34 Ca 0.04 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 2cr0 s PRO 34 Cb -0.25 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2cr0 s PRO 34 CO 0.02 -0.73 0.06 -0.06 0.04 0.00 0.00 177.00 176.32 2cr0 s PHE 35 N 3.35 3.11 -0.87 0.56 0.08 0.13 -4.97 117.98 119.37 2cr0 s PHE 35 Ca 0.67 -0.92 -0.25 0.00 0.12 0.00 0.00 56.93 56.54 2cr0 s PHE 35 Cb -0.31 -2.22 -0.20 0.00 -0.57 0.00 0.00 43.02 39.72 2cr0 s PHE 35 CO 0.26 -0.55 1.92 -2.13 -0.10 0.00 0.00 175.22 174.62 2cr0 n ARG 36 N 4.86 0.89 -4.54 0.44 0.63 -1.26 -4.68 116.66 112.99 2cr0 n ARG 36 Ca -0.15 -1.88 -0.25 0.00 -0.92 0.00 0.00 57.85 54.65 2cr0 n ARG 36 Cb 0.49 -3.41 -0.14 0.00 0.45 0.00 0.00 32.46 29.85 2cr0 n ARG 36 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2cr0 s VAL 37 N 10.89 1.66 -0.29 5.15 -7.23 -1.26 -5.03 120.40 124.29 2cr0 s VAL 37 Ca 0.70 -1.29 0.11 0.00 -1.81 0.00 0.00 61.98 59.69 2cr0 s VAL 37 Cb 0.04 -1.47 0.64 0.00 0.56 0.00 0.00 36.38 36.16 2cr0 s VAL 37 CO 0.19 0.13 1.65 -1.20 -0.31 0.00 0.00 175.10 175.56 2cr0 n SER 38 N 1.65 4.08 -2.76 4.85 7.64 -1.26 -4.89 113.62 122.93 2cr0 n SER 38 Ca -0.18 -3.31 -0.14 0.00 1.01 0.00 0.00 58.87 56.26 2cr0 n SER 38 Cb 0.53 -0.68 -0.04 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 -0.49 -1.10 -3.23 1.43 -1.74 -1.26 -5.14 117.46 105.92 2cr0 n PHE 39 Ca 0.36 -2.12 -0.39 0.00 -0.56 0.00 0.00 57.45 54.74 2cr0 n PHE 39 Cb 1.21 0.40 -0.06 0.00 1.52 0.00 0.00 39.48 42.55 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 -2.83 4.26 0.39 3.97 3.52 -1.26 -4.48 118.95 122.52 2cr0 s ARG 40 Ca 0.28 0.49 -0.22 0.00 -0.13 0.00 0.00 55.73 56.15 2cr0 s ARG 40 Cb -0.00 -3.52 -0.10 0.00 -1.56 0.00 0.00 34.95 29.77 2cr0 s ARG 40 CO 0.20 -0.05 0.92 -0.51 -0.81 0.00 0.00 175.30 175.05 2cr0 s LEU 41 N 1.30 4.06 0.08 -0.88 1.43 -1.14 -5.01 118.68 118.52 2cr0 s LEU 41 Ca 0.26 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 55.09 2cr0 s LEU 41 Cb -0.16 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 2cr0 s LEU 41 CO 0.10 -0.26 -0.05 -0.54 0.23 0.00 0.00 176.35 175.83 2cr0 s LYS 42 N -2.85 2.39 0.46 1.70 -0.14 -1.26 -4.83 119.74 115.20 2cr0 s LYS 42 Ca 0.58 -0.89 0.22 0.00 -1.36 0.00 0.00 55.97 54.53 2cr0 s LYS 42 Cb -0.12 -2.44 1.22 0.00 -1.68 0.00 0.00 37.83 34.81 2cr0 s LYS 42 CO 0.16 0.54 1.87 0.78 -0.76 0.00 0.00 175.35 177.94 2cr0 h GLY 43 N 3.72 0.57 1.72 -3.33 0.00 -1.98 0.14 103.07 103.92 2cr0 h GLY 43 Ca -0.48 -0.12 -0.24 0.00 0.00 0.00 0.00 47.33 46.49 2cr0 h GLY 43 CO 0.56 -0.01 -1.19 0.07 0.00 0.00 0.00 176.54 175.97 2cr0 h LYS 44 N 0.26 0.06 -0.72 4.80 2.10 -2.03 -3.31 116.57 117.73 2cr0 h LYS 44 Ca 0.45 -0.11 -0.05 0.00 -2.00 0.00 0.00 60.65 58.95 2cr0 h LYS 44 Cb 1.34 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.68 2cr0 h LYS 44 CO -0.12 0.97 0.27 -0.44 -2.00 0.00 0.00 179.45 178.13 2cr0 h ASP 45 N 0.02 1.01 -3.35 7.07 5.19 -1.16 -3.44 116.42 121.76 2cr0 h ASP 45 Ca -0.09 -0.18 -0.55 0.00 -0.62 0.00 0.00 57.03 55.59 2cr0 h ASP 45 Cb 1.86 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 41.08 2cr0 h ASP 45 CO 0.14 0.92 -0.17 0.68 -3.12 0.00 0.00 179.24 177.68 2cr0 s VAL 46 N -5.52 5.00 -0.33 -1.35 -7.23 -0.70 -0.32 120.40 109.95 2cr0 s VAL 46 Ca -0.12 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 2cr0 s VAL 46 Cb 0.15 -3.62 0.08 0.00 0.56 0.00 0.00 36.38 33.54 2cr0 s VAL 46 CO 0.83 -0.06 0.05 -0.69 -0.31 0.00 0.00 175.10 174.92 2cr0 s VAL 47 N -1.79 2.78 -0.27 1.32 1.01 0.32 -4.75 120.40 119.02 2cr0 s VAL 47 Ca 0.45 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.60 2cr0 s VAL 47 Cb -0.11 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.54 2cr0 s VAL 47 CO 0.23 -0.38 -0.03 -0.69 0.00 0.00 0.00 175.10 174.23 2cr0 s VAL 48 N 1.11 1.77 -0.34 2.92 1.01 -1.26 -0.79 120.40 124.83 2cr0 s VAL 48 Ca 0.02 -1.59 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 2cr0 s VAL 48 Cb -0.20 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2cr0 s VAL 48 CO -0.04 -0.26 0.20 -0.62 0.00 0.00 0.00 175.10 174.37 2cr0 s ASP 49 N 1.24 5.77 -0.30 3.32 2.15 0.70 -4.93 116.67 124.62 2cr0 s ASP 49 Ca -0.01 -0.61 -0.08 0.00 0.43 0.00 0.00 52.55 52.28 2cr0 s ASP 49 Cb -0.19 -2.06 -0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2cr0 s ASP 49 CO -0.08 -0.26 0.11 -0.63 -0.17 0.00 0.00 175.17 174.13 2cr0 s ILE 50 N 1.64 4.25 0.45 4.11 1.01 -1.26 0.84 121.20 132.24 2cr0 s ILE 50 Ca 0.05 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2cr0 s ILE 50 Cb -0.18 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2cr0 s ILE 50 CO 0.08 0.09 0.10 -1.10 0.00 0.00 0.00 174.94 174.11 2cr0 s GLN 51 N 1.56 2.14 0.08 2.79 -0.21 0.23 -4.95 119.66 121.28 2cr0 s GLN 51 Ca 0.04 -2.10 -0.26 0.00 0.02 0.00 0.00 55.36 53.05 2cr0 s GLN 51 Cb -0.17 -1.76 -0.16 0.00 1.00 0.00 0.00 33.01 31.92 2cr0 s GLN 51 CO 0.04 -0.22 1.68 -0.09 -2.12 0.00 0.00 175.29 174.58 2cr0 h ARG 52 N 1.44 -0.29 -0.54 2.91 9.65 -1.98 -3.28 114.38 122.30 2cr0 h ARG 52 Ca -0.43 0.02 -0.40 0.00 -1.10 0.00 0.00 59.98 58.08 2cr0 h ARG 52 Cb 1.27 0.06 -0.34 0.00 -1.39 0.00 0.00 29.97 29.57 2cr0 h ARG 52 CO 0.73 -0.17 -0.80 -2.13 2.80 0.00 0.00 179.97 180.40 2cr0 n ARG 53 N -5.21 2.88 -3.60 0.20 0.63 -1.26 0.14 116.66 110.45 2cr0 n ARG 53 Ca -0.09 -3.85 -0.12 0.00 -0.92 0.00 0.00 57.85 52.86 2cr0 n ARG 53 Cb 0.15 -2.00 -0.06 0.00 0.45 0.00 0.00 32.46 31.00 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 -3.43 -0.53 0.01 -0.14 2.46 -1.24 -1.95 115.29 110.47 2cr0 s HIS 54 Ca 0.45 1.13 0.00 0.00 0.47 0.00 0.00 55.06 57.12 2cr0 s HIS 54 Cb 0.39 0.38 -0.01 0.00 -0.13 0.00 0.00 32.58 33.21 2cr0 s HIS 54 CO 0.00 -0.36 -0.03 -1.17 -2.47 0.00 0.00 174.74 170.72 2cr0 s LEU 55 N -0.40 2.14 0.00 8.88 2.96 -1.23 0.74 118.68 131.77 2cr0 s LEU 55 Ca -0.01 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2cr0 s LEU 55 Cb -0.03 0.01 -0.00 0.00 0.50 0.00 0.00 46.19 46.67 2cr0 s LEU 55 CO 0.00 -0.16 0.00 -0.60 -1.32 0.00 0.00 176.35 174.28 2cr0 s ARG 56 N -0.88 0.06 -0.08 1.98 3.52 0.25 -3.38 118.95 120.42 2cr0 s ARG 56 Ca -0.09 -0.10 -0.12 0.00 -0.13 0.00 0.00 55.73 55.29 2cr0 s ARG 56 Cb -0.06 0.02 0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2cr0 s ARG 56 CO -0.00 -0.01 0.31 0.08 -0.81 0.00 0.00 175.30 174.87 2cr0 s VAL 57 N -0.25 0.02 -3.49 7.11 1.01 0.50 -0.22 120.40 125.09 2cr0 s VAL 57 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2cr0 s VAL 57 Cb -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2cr0 s VAL 57 CO -0.00 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2cr0 n GLY 58 N 2.28 -0.55 3.20 4.51 0.00 0.03 -0.84 105.19 113.83 2cr0 n GLY 58 Ca -0.16 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 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 2.25 0.26 0.99 1.43 -1.26 -0.52 118.68 121.82 2cr0 s LEU 59 Ca 0.00 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 2cr0 s LEU 59 Cb 0.00 -0.65 -0.15 0.00 0.03 0.00 0.00 46.19 45.43 2cr0 s LEU 59 CO 0.00 -0.01 0.97 1.17 0.23 0.00 0.00 176.35 178.72 2cr0 n LYS 60 N 1.40 1.14 0.00 1.70 3.00 0.56 -2.21 118.16 123.75 2cr0 n LYS 60 Ca -0.20 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2cr0 n LYS 60 Cb 0.54 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.83 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 1.47 1.13 3.68 3.14 0.00 -1.26 -4.91 105.19 108.45 2cr0 n GLY 61 Ca 0.12 -0.02 -0.30 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 1.10 0.41 1.61 -0.21 -0.94 -4.97 119.66 116.66 2cr0 s GLN 62 Ca 0.00 1.25 -0.25 0.00 0.02 0.00 0.00 55.36 56.38 2cr0 s GLN 62 Cb 0.00 -1.76 -0.08 0.00 1.00 0.00 0.00 33.01 32.17 2cr0 s GLN 62 CO 0.00 -2.48 1.19 -1.25 -2.12 0.00 0.00 175.29 170.63 2cr0 s PRO 63 N -4.73 3.97 -0.36 2.91 0.04 -1.26 -4.43 135.00 131.13 2cr0 s PRO 63 Ca 0.65 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 63.27 2cr0 s PRO 63 Cb -0.21 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 2cr0 s PRO 63 CO 0.58 -0.40 1.71 -1.25 0.04 0.00 0.00 177.00 177.68 2cr0 s PRO 64 N -2.38 3.36 0.45 0.56 0.04 -1.26 -4.40 135.00 131.36 2cr0 s PRO 64 Ca 0.59 1.26 0.22 0.00 0.04 0.00 0.00 61.00 63.11 2cr0 s PRO 64 Cb -0.31 -4.16 1.20 0.00 0.04 0.00 0.00 34.50 31.27 2cr0 s PRO 64 CO 0.39 -1.83 1.83 -0.24 0.04 0.00 0.00 177.00 177.19 2cr0 h VAL 65 N 6.72 0.59 -3.25 -0.36 3.04 -1.36 -3.37 116.25 118.27 2cr0 h VAL 65 Ca -0.32 -0.10 -0.52 0.00 -1.01 0.00 0.00 66.70 64.75 2cr0 h VAL 65 Cb 1.15 0.27 -0.38 0.00 -2.01 0.00 0.00 31.29 30.33 2cr0 h VAL 65 CO 1.05 0.05 -0.79 -0.69 -1.01 0.00 0.00 177.57 176.19 2cr0 s VAL 66 N -5.32 0.93 -0.26 1.51 1.01 -0.76 -5.00 120.40 112.51 2cr0 s VAL 66 Ca -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2cr0 s VAL 66 Cb 0.23 -1.06 0.15 0.00 0.00 0.00 0.00 36.38 35.69 2cr0 s VAL 66 CO 0.79 0.22 0.45 1.51 0.00 0.00 0.00 175.10 178.07 2cr0 s ASP 67 N 1.73 -0.29 0.00 3.32 -4.77 -1.26 -0.37 116.67 115.03 2cr0 s ASP 67 Ca 0.03 0.48 0.00 0.00 -3.30 0.00 0.00 52.55 49.76 2cr0 s ASP 67 Cb -0.14 1.46 0.00 0.00 -1.09 0.00 0.00 42.92 43.15 2cr0 s ASP 67 CO -0.08 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.12 2cr0 n GLY 68 N 5.39 1.24 3.69 2.12 0.00 -1.22 -4.88 105.19 111.53 2cr0 n GLY 68 Ca -0.03 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.20 2.39 -2.22 1.61 2.13 -1.26 -3.56 120.64 119.53 2cr0 n GLU 69 Ca 0.00 0.86 -0.41 0.00 0.66 0.00 0.00 57.16 58.27 2cr0 n GLU 69 Cb 0.00 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.04 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 0.76 4.41 0.31 4.31 1.43 -0.82 -1.28 118.68 127.80 2cr0 s LEU 70 Ca 0.75 2.37 0.06 0.00 -1.03 0.00 0.00 54.13 56.28 2cr0 s LEU 70 Cb -0.60 -3.60 0.85 0.00 0.03 0.00 0.00 46.19 42.87 2cr0 s LEU 70 CO 0.38 -0.54 1.64 0.22 0.23 0.00 0.00 176.35 178.28 2cr0 h TYR 71 N 5.65 0.48 -4.53 0.29 3.20 -1.78 -3.43 116.97 116.85 2cr0 h TYR 71 Ca -0.44 0.05 -0.24 0.00 3.14 0.00 0.00 58.73 61.24 2cr0 h TYR 71 Cb 1.21 -0.06 -0.14 0.00 1.54 0.00 0.00 36.73 39.28 2cr0 h TYR 71 CO 0.63 -0.25 -0.57 1.21 -1.64 0.00 0.00 178.16 177.54 2cr0 s ASN 72 N -4.99 0.23 0.48 -2.11 2.47 -1.26 -5.06 114.94 104.70 2cr0 s ASN 72 Ca -0.11 -1.37 -0.22 0.00 0.42 0.00 0.00 52.86 51.57 2cr0 s ASN 72 Cb 0.28 0.41 -0.07 0.00 -1.45 0.00 0.00 41.25 40.42 2cr0 s ASN 72 CO 0.78 -0.88 1.16 -1.61 -3.72 0.00 0.00 177.10 172.82 2cr0 s GLU 73 N -4.09 3.67 -0.03 0.43 2.02 -1.26 -4.71 118.70 114.72 2cr0 s GLU 73 Ca 0.38 1.75 -0.01 0.00 0.02 0.00 0.00 54.97 57.10 2cr0 s GLU 73 Cb 0.06 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.99 2cr0 s GLU 73 CO 0.13 -0.62 0.06 0.14 0.02 0.00 0.00 175.26 174.99 2cr0 s VAL 74 N -1.59 -0.09 -0.89 2.63 -7.23 0.12 -3.45 120.40 109.90 2cr0 s VAL 74 Ca 0.65 0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 60.93 2cr0 s VAL 74 Cb -0.28 -0.13 -0.22 0.00 0.56 0.00 0.00 36.38 36.31 2cr0 s VAL 74 CO 0.33 0.14 2.45 1.17 -0.31 0.00 0.00 175.10 178.88 2cr0 n LYS 75 N 4.80 0.23 -0.05 4.82 4.81 0.13 -4.42 118.16 128.48 2cr0 n LYS 75 Ca -0.14 -0.11 -0.15 0.00 -0.87 0.00 0.00 58.31 57.05 2cr0 n LYS 75 Cb 0.50 -1.92 -0.03 0.00 0.02 0.00 0.00 35.03 33.60 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 7.60 1.28 -0.07 3.15 3.04 -1.88 0.35 116.25 129.73 2cr0 h VAL 76 Ca -0.05 -1.81 0.02 0.00 -1.01 0.00 0.00 66.70 63.86 2cr0 h VAL 76 Cb 1.21 1.74 -0.00 0.00 -2.01 0.00 0.00 31.29 32.22 2cr0 h VAL 76 CO 1.38 0.58 0.13 1.05 -1.01 0.00 0.00 177.57 179.70 2cr0 h GLU 77 N 0.60 0.00 0.00 4.17 4.11 -1.95 -2.73 114.58 118.78 2cr0 h GLU 77 Ca -0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.13 2cr0 h GLU 77 Cb 1.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2cr0 h GLU 77 CO 0.13 0.00 -2.15 0.39 0.07 0.00 0.00 179.01 177.45 2cr0 n GLU 78 N -3.50 0.50 -1.47 1.06 -0.58 -1.12 -5.01 120.64 110.52 2cr0 n GLU 78 Ca -0.01 0.12 -0.38 0.00 -0.42 0.00 0.00 57.16 56.46 2cr0 n GLU 78 Cb 0.22 -1.40 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 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 -3.09 -0.96 -3.59 1.62 7.64 0.12 -4.97 113.62 110.40 2cr0 n SER 79 Ca -0.36 0.75 -0.11 0.00 1.01 0.00 0.00 58.87 60.16 2cr0 n SER 79 Cb 0.88 -1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 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 -1.16 -0.41 0.43 6.43 1.04 -0.96 -4.92 113.70 114.15 2cr0 s SER 80 Ca 0.69 0.55 0.06 0.00 0.48 0.00 0.00 55.95 57.73 2cr0 s SER 80 Cb -0.45 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 2cr0 s SER 80 CO 0.54 -0.32 0.13 -1.66 0.98 0.00 0.00 173.24 172.92 2cr0 s TRP 81 N -0.79 2.42 -0.24 5.02 1.48 -1.26 -1.20 118.94 124.38 2cr0 s TRP 81 Ca -0.01 -0.67 -0.26 0.00 -1.06 0.00 0.00 56.10 54.10 2cr0 s TRP 81 Cb -0.02 -1.87 0.07 0.00 -1.16 0.00 0.00 33.47 30.49 2cr0 s TRP 81 CO 0.00 0.21 0.72 -0.48 -4.06 0.00 0.00 176.95 173.34 2cr0 s LEU 82 N -3.88 -0.73 -0.03 -4.66 0.05 0.14 -4.97 118.68 104.60 2cr0 s LEU 82 Ca 0.35 1.33 -0.30 0.00 0.05 0.00 0.00 54.13 55.56 2cr0 s LEU 82 Cb 0.05 2.47 -0.03 0.00 -2.05 0.00 0.00 46.19 46.62 2cr0 s LEU 82 CO 0.19 -0.30 1.12 -0.63 -0.55 0.00 0.00 176.35 176.18 2cr0 s ILE 83 N 0.14 4.42 -0.23 1.48 1.01 -1.26 -2.07 121.20 124.69 2cr0 s ILE 83 Ca -0.02 1.73 -0.07 0.00 0.00 0.00 0.00 60.65 62.29 2cr0 s ILE 83 Cb -0.04 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 2cr0 s ILE 83 CO 0.02 0.06 0.07 -1.61 0.00 0.00 0.00 174.94 173.48 2cr0 s GLU 84 N 1.66 3.78 -1.08 2.79 0.41 0.84 -4.50 118.70 122.60 2cr0 s GLU 84 Ca 0.54 -0.43 -0.09 0.00 -0.41 0.00 0.00 54.97 54.59 2cr0 s GLU 84 Cb -0.24 -3.29 0.08 0.00 -1.78 0.00 0.00 34.13 28.90 2cr0 s GLU 84 CO 0.24 -0.02 0.35 -0.25 -0.49 0.00 0.00 175.26 175.09 2cr0 n ASP 85 N 4.43 -2.74 -2.24 -0.19 8.00 -1.26 -0.64 116.55 121.91 2cr0 n ASP 85 Ca -0.16 -0.29 -0.00 0.00 0.71 0.00 0.00 54.79 55.04 2cr0 n ASP 85 Cb 0.52 -2.34 -0.00 0.00 -0.02 0.00 0.00 41.12 39.28 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 -0.96 -0.41 0.00 0.44 0.00 -1.26 -4.53 105.19 98.46 2cr0 n GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.24 2.19 -4.35 1.61 2.85 0.19 -2.91 118.16 115.49 2cr0 n LYS 87 Ca -0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.04 2cr0 n LYS 87 Cb 0.41 -0.76 -0.11 0.00 -0.65 0.00 0.00 35.03 33.93 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 1.88 -0.37 0.58 1.01 -0.18 0.17 120.40 122.02 2cr0 s VAL 88 Ca 0.00 -2.02 0.03 0.00 0.00 0.00 0.00 61.98 59.99 2cr0 s VAL 88 Cb 0.00 -1.93 0.11 0.00 0.00 0.00 0.00 36.38 34.56 2cr0 s VAL 88 CO 0.00 -0.37 0.11 -0.69 0.00 0.00 0.00 175.10 174.15 2cr0 s VAL 89 N -2.26 1.96 0.06 2.92 1.01 -0.93 -0.11 120.40 123.06 2cr0 s VAL 89 Ca 0.18 -2.34 -0.24 0.00 0.00 0.00 0.00 61.98 59.58 2cr0 s VAL 89 Cb -0.05 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 2cr0 s VAL 89 CO 0.07 -0.68 0.75 0.42 0.00 0.00 0.00 175.10 175.66 2cr0 s THR 90 N 0.79 4.69 -0.21 3.92 -4.23 -0.88 -2.93 115.64 116.79 2cr0 s THR 90 Ca 0.12 1.59 -0.00 0.00 -1.18 0.00 0.00 61.69 62.22 2cr0 s THR 90 Cb -0.20 -4.09 0.05 0.00 1.34 0.00 0.00 72.50 69.60 2cr0 s THR 90 CO -0.09 0.40 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.66 2cr0 s VAL 91 N -0.28 1.25 -0.29 2.29 1.01 -0.45 -0.68 120.40 123.25 2cr0 s VAL 91 Ca 0.37 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 2cr0 s VAL 91 Cb -0.21 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2cr0 s VAL 91 CO 0.23 -0.05 0.89 -2.28 0.00 0.00 0.00 175.10 173.88 2cr0 s HIS 92 N 1.53 3.22 -0.26 5.22 5.04 -0.34 -2.89 115.29 126.82 2cr0 s HIS 92 Ca -0.03 1.03 -0.05 0.00 -1.54 0.00 0.00 55.06 54.46 2cr0 s HIS 92 Cb -0.18 -3.31 0.00 0.00 0.04 0.00 0.00 32.58 29.14 2cr0 s HIS 92 CO -0.07 -0.58 0.02 -0.51 -2.34 0.00 0.00 174.74 171.26 2cr0 s LEU 93 N 3.13 3.38 -0.21 8.88 1.43 -0.20 -2.28 118.68 132.82 2cr0 s LEU 93 Ca 0.37 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.66 2cr0 s LEU 93 Cb -0.14 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2cr0 s LEU 93 CO 0.12 -0.10 0.88 -0.70 0.23 0.00 0.00 176.35 176.77 2cr0 s GLU 94 N 1.49 4.25 -0.26 1.70 2.56 -1.26 -0.26 118.70 126.92 2cr0 s GLU 94 Ca 0.04 1.08 -0.29 0.00 0.00 0.00 0.00 54.97 55.79 2cr0 s GLU 94 Cb -0.16 -3.61 0.00 0.00 2.00 0.00 0.00 34.13 32.36 2cr0 s GLU 94 CO -0.00 -0.46 1.23 0.15 -0.56 0.00 0.00 175.26 175.61 2cr0 s LYS 95 N 2.62 4.07 0.38 4.30 1.02 -1.24 -0.70 119.74 130.19 2cr0 s LYS 95 Ca 0.39 1.35 0.18 0.00 0.02 0.00 0.00 55.97 57.91 2cr0 s LYS 95 Cb -0.16 -3.80 1.14 0.00 -0.52 0.00 0.00 37.83 34.49 2cr0 s LYS 95 CO 0.09 -0.91 1.70 0.82 -0.92 0.00 0.00 175.35 176.13 2cr0 h ILE 96 N 5.73 0.36 -3.11 2.17 1.08 -1.91 -2.90 117.51 118.93 2cr0 h ILE 96 Ca -0.25 -0.11 -0.63 0.00 -0.39 0.00 0.00 64.86 63.48 2cr0 h ILE 96 Cb 1.09 0.00 -0.41 0.00 -3.07 0.00 0.00 36.82 34.43 2cr0 h ILE 96 CO 1.01 0.06 -0.52 0.20 -0.69 0.00 0.00 178.15 178.21 2cr0 s ASN 97 N -4.96 4.97 0.58 1.72 -0.87 -1.26 -4.92 114.94 110.20 2cr0 s ASN 97 Ca -0.09 -3.85 0.36 0.00 -1.57 0.00 0.00 52.86 47.70 2cr0 s ASN 97 Cb 0.28 -1.67 1.32 0.00 -0.02 0.00 0.00 41.25 41.16 2cr0 s ASN 97 CO 0.80 -0.09 1.51 0.11 -2.57 0.00 0.00 177.10 176.86 2cr0 h LYS 98 N 5.46 0.00 -0.99 -0.60 1.57 -1.77 1.33 116.57 121.58 2cr0 h LYS 98 Ca 0.15 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 2cr0 h LYS 98 Cb 0.76 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.98 2cr0 h LYS 98 CO 0.74 0.00 0.19 -1.33 -0.57 0.00 0.00 179.45 178.48 2cr0 n MET 99 N -3.62 1.49 -4.05 3.15 2.81 -1.26 -3.77 117.12 111.87 2cr0 n MET 99 Ca 0.28 -0.98 -0.13 0.00 -1.81 0.00 0.00 57.70 55.07 2cr0 n MET 99 Cb 1.55 -1.42 -0.12 0.00 -0.71 0.00 0.00 33.22 32.52 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 -1.12 0.41 0.45 0.03 2.56 0.46 -5.14 118.70 116.35 2cr0 s GLU 100 Ca 0.18 -0.53 0.08 0.00 0.00 0.00 0.00 54.97 54.70 2cr0 s GLU 100 Cb 0.15 -0.20 0.02 0.00 2.00 0.00 0.00 34.13 36.11 2cr0 s GLU 100 CO 0.04 0.04 0.60 -1.58 -0.56 0.00 0.00 175.26 173.79 2cr0 s TRP 101 N -1.00 2.52 0.02 5.30 0.52 -1.26 -4.72 118.94 120.32 2cr0 s TRP 101 Ca -0.08 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.64 2cr0 s TRP 101 Cb -0.07 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.90 2cr0 s TRP 101 CO -0.00 -0.54 -0.21 -1.58 0.02 0.00 0.00 176.95 174.64 2cr0 s TRP 102 N -2.42 1.83 -0.18 -1.98 0.52 -1.26 -5.03 118.94 110.42 2cr0 s TRP 102 Ca 0.56 -0.37 0.19 0.00 0.02 0.00 0.00 56.10 56.50 2cr0 s TRP 102 Cb -0.09 -1.12 -0.05 0.00 -1.15 0.00 0.00 33.47 31.07 2cr0 s TRP 102 CO 0.34 0.05 0.99 -0.91 0.02 0.00 0.00 176.95 177.43 2cr0 h ASN 103 N 5.12 0.00 -5.62 2.95 4.21 -1.97 -3.47 115.58 116.81 2cr0 h ASN 103 Ca -0.41 0.00 0.27 0.00 1.21 0.00 0.00 56.30 57.37 2cr0 h ASN 103 Cb 1.15 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.25 2cr0 h ASN 103 CO 0.45 0.33 0.71 0.00 -1.29 0.00 0.00 177.43 177.63 2cr0 s ARG 104 N -3.11 0.70 0.02 0.81 1.70 -1.26 -2.20 118.95 115.61 2cr0 s ARG 104 Ca -0.01 -0.39 -0.21 0.00 -0.47 0.00 0.00 55.73 54.65 2cr0 s ARG 104 Cb 0.09 0.23 -0.17 0.00 -0.57 0.00 0.00 34.95 34.53 2cr0 s ARG 104 CO 0.79 -0.32 1.27 1.25 -1.08 0.00 0.00 175.30 177.21 2cr0 h LEU 105 N 2.00 0.36 -7.89 -1.89 5.85 -1.94 -3.40 115.31 108.39 2cr0 h LEU 105 Ca -0.28 -0.55 -0.08 0.00 0.84 0.00 0.00 57.88 57.82 2cr0 h LEU 105 Cb 1.21 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 2cr0 h LEU 105 CO 0.28 0.84 -0.22 0.68 -0.34 0.00 0.00 178.44 179.68 2cr0 s VAL 106 N -4.03 0.06 0.47 1.05 -7.23 -1.26 -3.55 120.40 105.92 2cr0 s VAL 106 Ca -0.14 -1.14 0.20 0.00 -1.81 0.00 0.00 61.98 59.09 2cr0 s VAL 106 Cb 0.04 -1.66 0.38 0.00 0.56 0.00 0.00 36.38 35.70 2cr0 s VAL 106 CO 0.76 -0.29 1.95 0.71 -0.31 0.00 0.00 175.10 177.91 2cr0 h THR 107 N 2.46 0.76 -0.12 5.32 1.35 -1.48 -1.49 112.91 119.72 2cr0 h THR 107 Ca -0.31 -0.08 -0.08 0.00 -0.55 0.00 0.00 66.41 65.39 2cr0 h THR 107 Cb 1.24 0.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 2cr0 h THR 107 CO 0.46 0.04 0.08 -1.54 -0.25 0.00 0.00 175.52 174.32 2cr0 n SER 108 N -4.43 5.61 -3.86 5.36 3.41 -1.26 -4.81 113.62 113.64 2cr0 n SER 108 Ca 0.13 -2.57 -0.09 0.00 -0.26 0.00 0.00 58.87 56.08 2cr0 n SER 108 Cb 0.58 -1.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.33 2cr0 n SER 108 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2cr0 s ASP 109 N 1.58 0.12 0.44 4.04 1.01 -0.56 -5.02 116.67 118.28 2cr0 s ASP 109 Ca 0.09 -0.63 -0.24 0.00 0.71 0.00 0.00 52.55 52.49 2cr0 s ASP 109 Cb 0.07 0.33 -0.08 0.00 1.01 0.00 0.00 42.92 44.25 2cr0 s ASP 109 CO -0.00 -0.71 1.17 -2.16 0.21 0.00 0.00 175.17 173.67 2cr0 s PRO 110 N -3.76 3.83 0.14 8.23 0.04 -1.26 -4.93 135.00 137.29 2cr0 s PRO 110 Ca 0.04 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.69 2cr0 s PRO 110 Cb 0.04 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 2cr0 s PRO 110 CO -0.10 -0.50 0.64 -1.21 0.04 0.00 0.00 177.00 175.87 2cr0 s GLU 111 N -2.59 4.24 -0.05 4.56 2.02 -1.26 -4.69 118.70 120.93 2cr0 s GLU 111 Ca 0.62 0.80 0.04 0.00 0.02 0.00 0.00 54.97 56.46 2cr0 s GLU 111 Cb -0.29 -3.10 -0.00 0.00 0.10 0.00 0.00 34.13 30.84 2cr0 s GLU 111 CO 0.36 0.54 -0.18 0.96 0.02 0.00 0.00 175.26 176.96 2cr0 s ILE 112 N -1.28 1.52 0.02 -1.63 -4.36 -0.94 -5.07 121.20 109.46 2cr0 s ILE 112 Ca 0.35 -0.76 -0.34 0.00 -0.26 0.00 0.00 60.65 59.64 2cr0 s ILE 112 Cb -0.19 -1.31 -0.13 0.00 1.25 0.00 0.00 42.46 42.09 2cr0 s ILE 112 CO 0.21 0.44 1.74 -3.20 0.24 0.00 0.00 174.94 174.36 2cr0 n ASN 113 N 3.20 3.24 -4.27 4.36 5.15 -1.26 -4.75 115.26 120.93 2cr0 n ASN 113 Ca -0.18 1.02 -0.37 0.00 -0.60 0.00 0.00 54.58 54.45 2cr0 n ASN 113 Cb 0.53 -1.39 -0.13 0.00 -0.53 0.00 0.00 39.78 38.26 2cr0 n ASN 113 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2cr0 s THR 114 N 2.65 3.57 -0.36 -0.44 -4.23 -1.26 -5.06 115.64 110.50 2cr0 s THR 114 Ca 0.87 -1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.07 2cr0 s THR 114 Cb -0.70 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2cr0 s THR 114 CO 0.46 -0.02 1.46 -0.75 -0.54 0.00 0.00 174.62 175.22 2cr0 s LYS 115 N 1.40 3.63 0.09 3.99 2.20 -1.26 -4.99 119.74 124.79 2cr0 s LYS 115 Ca -0.01 1.13 0.04 0.00 -0.36 0.00 0.00 55.97 56.77 2cr0 s LYS 115 Cb -0.18 -4.02 -0.03 0.00 -1.51 0.00 0.00 37.83 32.08 2cr0 s LYS 115 CO 0.01 -1.49 -0.10 -1.12 -0.36 0.00 0.00 175.35 172.28 2cr0 s SER 116 N 4.02 1.41 0.00 1.43 0.01 -1.26 -5.07 113.70 114.24 2cr0 s SER 116 Ca 0.64 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2cr0 s SER 116 Cb -0.16 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2cr0 s SER 116 CO 0.31 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2cr0 n GLY 117 N 0.72 -2.57 3.66 3.44 0.00 -1.26 -5.00 105.19 104.18 2cr0 n GLY 117 Ca -0.17 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 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 4.13 -1.79 1.61 0.04 -1.26 -3.44 135.00 132.30 2cr0 s PRO 118 Ca 0.00 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.80 2cr0 s PRO 118 Cb 0.00 -3.93 0.19 0.00 0.04 0.00 0.00 34.50 30.80 2cr0 s PRO 118 CO 0.00 -0.88 0.47 0.43 0.04 0.00 0.00 177.00 177.06 2cr0 n SER 119 N 7.19 -1.25 -4.64 6.66 7.64 -1.26 -4.73 113.62 123.23 2cr0 n SER 119 Ca 0.17 -1.23 -0.47 0.00 1.01 0.00 0.00 58.87 58.34 2cr0 n SER 119 Cb 0.44 -1.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.03 2cr0 n SER 119 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cr0 n SER 120 N -2.48 3.37 0.00 6.43 3.41 -1.22 -5.24 113.62 117.88 2cr0 n SER 120 Ca 0.03 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 2cr0 n SER 120 Cb 0.49 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 2cr0 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49