#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 4.87 -1.16 1.61 1.04 -1.26 -5.04 113.70 113.76 2cr0 s SER 2 Ca 0.00 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.12 2cr0 s SER 2 Cb 0.00 -1.73 0.17 0.00 0.10 0.00 0.00 66.02 64.55 2cr0 s SER 2 CO 0.00 -0.24 1.37 -0.94 0.98 0.00 0.00 173.24 174.41 2cr0 s SER 3 N 1.30 7.01 1.88 7.02 1.04 -1.26 -4.93 113.70 125.75 2cr0 s SER 3 Ca -0.04 -2.85 0.00 0.00 0.48 0.00 0.00 55.95 53.54 2cr0 s SER 3 Cb -0.19 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2cr0 s SER 3 CO -0.01 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2cr0 n GLY 4 N 4.30 2.75 3.42 7.32 0.00 -1.26 -4.70 105.19 117.02 2cr0 n GLY 4 Ca 0.34 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 2cr0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr0 s SER 5 N -4.00 -0.51 -1.03 1.61 0.01 -1.26 -5.10 113.70 103.42 2cr0 s SER 5 Ca 0.00 0.77 -0.17 0.00 1.31 0.00 0.00 55.95 57.85 2cr0 s SER 5 Cb 0.00 0.77 0.14 0.00 0.21 0.00 0.00 66.02 67.14 2cr0 s SER 5 CO 0.00 -0.37 1.25 -0.55 0.41 0.00 0.00 173.24 173.98 2cr0 s SER 6 N -0.50 6.78 0.00 2.44 0.15 -1.26 -4.76 113.70 116.55 2cr0 s SER 6 Ca -0.06 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.22 2cr0 s SER 6 Cb -0.03 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2cr0 s SER 6 CO 0.04 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2cr0 n GLY 7 N 5.06 0.17 3.17 9.45 0.00 -1.26 -4.98 105.19 116.79 2cr0 n GLY 7 Ca 0.29 0.59 -0.17 0.00 0.00 0.00 0.00 46.02 46.73 2cr0 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cr0 s LYS 8 N 0.00 0.81 0.02 1.61 -2.85 -1.26 -5.00 119.74 113.06 2cr0 s LYS 8 Ca 0.00 -0.97 -0.30 0.00 -1.00 0.00 0.00 55.97 53.69 2cr0 s LYS 8 Cb 0.00 -0.75 -0.06 0.00 -2.06 0.00 0.00 37.83 34.95 2cr0 s LYS 8 CO 0.00 0.16 1.44 -1.25 0.10 0.00 0.00 175.35 175.80 2cr0 s PRO 9 N -1.88 4.27 0.49 1.78 0.04 -1.26 -2.70 135.00 135.75 2cr0 s PRO 9 Ca -0.01 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2cr0 s PRO 9 Cb -0.09 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2cr0 s PRO 9 CO 0.02 -0.59 0.70 0.54 0.04 0.00 0.00 177.00 177.71 2cr0 s ASN 10 N 1.90 5.59 0.34 6.66 2.20 -1.10 -4.91 114.94 125.63 2cr0 s ASN 10 Ca 0.65 0.11 0.14 0.00 -0.94 0.00 0.00 52.86 52.82 2cr0 s ASN 10 Cb -0.33 -1.20 1.10 0.00 -2.00 0.00 0.00 41.25 38.82 2cr0 s ASN 10 CO 0.28 -0.88 1.63 -0.07 -2.94 0.00 0.00 177.10 175.11 2cr0 h LEU 11 N 0.29 0.32 -2.80 3.54 3.38 -1.95 0.53 115.31 118.61 2cr0 h LEU 11 Ca -0.44 0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2cr0 h LEU 11 Cb 1.27 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2cr0 h LEU 11 CO 0.54 -0.25 0.07 0.61 0.09 0.00 0.00 178.44 179.50 2cr0 n GLY 12 N -1.31 2.60 1.89 0.83 0.00 -1.26 -4.76 105.19 103.18 2cr0 n GLY 12 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.03 -0.59 -0.11 1.61 3.02 0.19 -2.20 115.26 118.20 2cr0 n ASN 13 Ca 0.05 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2cr0 n ASN 13 Cb 0.54 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.30 1.87 2.77 7.41 0.00 -1.22 -4.47 105.19 111.26 2cr0 n GLY 14 Ca 0.00 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.99 0.00 -0.47 4.61 0.00 -1.00 -2.71 121.76 119.20 2cr0 s ALA 15 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 2cr0 s ALA 15 Cb 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2cr0 s ALA 15 CO 0.00 -0.50 1.07 -0.51 0.00 0.00 0.00 175.76 175.82 2cr0 s ASP 16 N 2.15 6.60 0.15 0.00 1.01 -1.10 -3.72 116.67 121.77 2cr0 s ASP 16 Ca 0.03 0.38 0.07 0.00 0.71 0.00 0.00 52.55 53.75 2cr0 s ASP 16 Cb -0.12 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2cr0 s ASP 16 CO -0.05 -1.18 -0.05 -0.76 0.21 0.00 0.00 175.17 173.35 2cr0 s LEU 17 N 4.23 3.19 0.49 1.23 1.43 -1.04 -4.37 118.68 123.84 2cr0 s LEU 17 Ca 0.45 -0.41 0.27 0.00 -1.03 0.00 0.00 54.13 53.41 2cr0 s LEU 17 Cb -0.08 -1.89 1.16 0.00 0.03 0.00 0.00 46.19 45.40 2cr0 s LEU 17 CO 0.30 0.12 1.92 1.55 0.23 0.00 0.00 176.35 180.47 2cr0 h PRO 18 N 3.06 0.00 0.07 1.29 0.13 -1.95 -3.06 132.00 131.54 2cr0 h PRO 18 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 2cr0 h PRO 18 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2cr0 h PRO 18 CO 0.56 0.15 -1.69 -0.91 -0.23 0.00 0.00 178.00 175.88 2cr0 h ASN 19 N 0.00 0.24 -4.36 1.44 -0.26 -1.99 -3.49 115.58 107.16 2cr0 h ASN 19 Ca -0.00 -0.43 0.20 0.00 -0.56 0.00 0.00 56.30 55.51 2cr0 h ASN 19 Cb 0.60 -0.08 -0.18 0.00 -1.06 0.00 0.00 38.32 37.60 2cr0 h ASN 19 CO 0.02 1.38 0.70 -0.72 -1.06 0.00 0.00 177.43 177.75 2cr0 s TYR 20 N -2.60 -0.21 -0.08 1.19 -0.85 -1.15 -4.35 117.35 109.30 2cr0 s TYR 20 Ca -0.10 0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.61 2cr0 s TYR 20 Cb 0.07 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 2cr0 s TYR 20 CO 0.82 -0.32 -0.18 -0.98 -1.52 0.00 0.00 175.55 173.36 2cr0 s ARG 21 N -2.62 2.84 -0.01 -3.49 1.70 -0.03 -2.49 118.95 114.85 2cr0 s ARG 21 Ca 0.08 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 2cr0 s ARG 21 Cb -0.01 -2.37 0.01 0.00 -0.57 0.00 0.00 34.95 32.01 2cr0 s ARG 21 CO -0.06 0.38 0.01 1.67 -1.08 0.00 0.00 175.30 176.22 2cr0 s TRP 22 N -0.11 0.02 -0.01 5.89 1.48 -1.24 0.40 118.94 125.37 2cr0 s TRP 22 Ca -0.03 0.06 0.07 0.00 -1.06 0.00 0.00 56.10 55.14 2cr0 s TRP 22 Cb -0.14 -0.12 -0.02 0.00 -1.16 0.00 0.00 33.47 32.03 2cr0 s TRP 22 CO 0.04 -0.04 -0.23 0.95 -4.06 0.00 0.00 176.95 173.61 2cr0 s THR 23 N 0.50 2.32 -0.06 0.66 -4.23 0.87 -2.38 115.64 113.31 2cr0 s THR 23 Ca -0.04 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 2cr0 s THR 23 Cb -0.06 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 2cr0 s THR 23 CO -0.01 0.54 -0.18 0.00 -0.54 0.00 0.00 174.62 174.42 2cr0 s GLN 24 N -0.78 2.62 0.02 3.99 -2.07 -0.94 0.11 119.66 122.61 2cr0 s GLN 24 Ca 0.11 -0.77 0.02 0.00 -1.82 0.00 0.00 55.36 52.90 2cr0 s GLN 24 Cb -0.10 -2.33 -0.01 0.00 -1.09 0.00 0.00 33.01 29.48 2cr0 s GLN 24 CO 0.00 0.49 -0.07 0.95 -1.32 0.00 0.00 175.29 175.34 2cr0 s THR 25 N -0.39 0.54 0.51 3.63 -4.23 0.32 -4.43 115.64 111.59 2cr0 s THR 25 Ca 0.04 -0.65 0.38 0.00 -1.18 0.00 0.00 61.69 60.28 2cr0 s THR 25 Cb -0.12 -0.52 0.56 0.00 1.34 0.00 0.00 72.50 73.76 2cr0 s THR 25 CO 0.02 -0.10 1.32 0.18 -0.54 0.00 0.00 174.62 175.50 2cr0 n LEU 26 N 2.24 0.00 -0.01 4.79 4.77 -1.26 -0.58 117.00 126.95 2cr0 n LEU 26 Ca -0.17 0.82 -0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2cr0 n LEU 26 Cb 0.56 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2cr0 n LEU 26 CO 0.23 -0.82 0.02 0.00 -1.33 0.00 0.00 177.39 175.49 2cr0 h ALA 27 N 0.75 -0.04 -2.94 -1.18 0.00 -1.87 -3.36 119.26 110.63 2cr0 h ALA 27 Ca 0.71 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.49 2cr0 h ALA 27 Cb 3.15 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 20.90 2cr0 h ALA 27 CO -0.01 -0.04 0.00 -1.83 0.00 0.00 0.00 179.25 177.37 2cr0 s GLU 28 N -1.38 1.95 -0.15 0.00 1.03 0.25 -3.80 118.70 116.60 2cr0 s GLU 28 Ca -0.00 -1.52 -0.02 0.00 0.03 0.00 0.00 54.97 53.46 2cr0 s GLU 28 Cb 0.00 0.52 -0.01 0.00 -0.80 0.00 0.00 34.13 33.83 2cr0 s GLU 28 CO 0.01 -0.85 -0.10 -1.17 -1.33 0.00 0.00 175.26 171.82 2cr0 s LEU 29 N -3.13 2.83 -0.25 1.83 0.20 0.63 -0.52 118.68 120.28 2cr0 s LEU 29 Ca 0.23 -0.32 -0.04 0.00 0.69 0.00 0.00 54.13 54.70 2cr0 s LEU 29 Cb -0.02 -1.66 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 2cr0 s LEU 29 CO 0.15 0.12 -0.02 -1.81 -0.29 0.00 0.00 176.35 174.50 2cr0 s ASP 30 N 0.62 4.53 0.09 3.68 1.11 0.12 -0.15 116.67 126.66 2cr0 s ASP 30 Ca -0.06 -0.63 0.03 0.00 0.18 0.00 0.00 52.55 52.07 2cr0 s ASP 30 Cb -0.15 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 42.05 2cr0 s ASP 30 CO 0.03 -0.10 0.11 -0.22 1.18 0.00 0.00 175.17 176.17 2cr0 s LEU 31 N 1.44 3.91 -0.11 1.23 2.96 -0.54 -0.09 118.68 127.47 2cr0 s LEU 31 Ca 0.03 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2cr0 s LEU 31 Cb -0.16 -2.57 0.05 0.00 0.50 0.00 0.00 46.19 44.02 2cr0 s LEU 31 CO -0.02 0.15 0.11 0.00 -1.32 0.00 0.00 176.35 175.27 2cr0 s ALA 32 N -1.47 0.17 -0.33 5.97 0.00 0.16 -1.29 121.76 124.98 2cr0 s ALA 32 Ca 0.31 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2cr0 s ALA 32 Cb -0.12 -0.89 0.08 0.00 0.00 0.00 0.00 23.12 22.19 2cr0 s ALA 32 CO 0.23 -0.84 0.04 0.08 0.00 0.00 0.00 175.76 175.28 2cr0 s VAL 33 N 2.20 2.76 -0.04 0.00 1.01 -0.75 -0.85 120.40 124.73 2cr0 s VAL 33 Ca 0.04 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.93 2cr0 s VAL 33 Cb -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2cr0 s VAL 33 CO -0.07 -0.33 1.48 -2.16 0.00 0.00 0.00 175.10 174.02 2cr0 s PRO 34 N 1.12 4.24 -0.37 2.72 0.04 -1.26 -1.73 135.00 139.77 2cr0 s PRO 34 Ca 0.01 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 2cr0 s PRO 34 Cb -0.20 -3.73 -0.00 0.00 0.04 0.00 0.00 34.50 30.60 2cr0 s PRO 34 CO -0.04 -0.69 0.30 -0.06 0.04 0.00 0.00 177.00 176.55 2cr0 s PHE 35 N 3.10 3.22 -1.04 0.56 0.40 -0.19 -4.99 117.98 119.05 2cr0 s PHE 35 Ca 0.66 -0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 56.43 2cr0 s PHE 35 Cb -0.31 -2.59 -0.20 0.00 0.51 0.00 0.00 43.02 40.44 2cr0 s PHE 35 CO 0.26 -0.47 2.14 0.50 0.70 0.00 0.00 175.22 178.35 2cr0 s ARG 36 N 1.81 1.40 0.03 0.44 3.52 -1.26 -4.78 118.95 120.11 2cr0 s ARG 36 Ca 0.07 -0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2cr0 s ARG 36 Cb -0.18 -4.98 -0.02 0.00 -1.56 0.00 0.00 34.95 28.21 2cr0 s ARG 36 CO 0.11 -5.15 -0.00 0.14 -0.81 0.00 0.00 175.30 169.58 2cr0 s VAL 37 N 15.97 0.15 -0.23 7.11 -7.23 -1.26 -5.05 120.40 129.86 2cr0 s VAL 37 Ca 0.82 -1.25 0.13 0.00 -1.81 0.00 0.00 61.98 59.87 2cr0 s VAL 37 Cb -0.06 -0.82 0.52 0.00 0.56 0.00 0.00 36.38 36.57 2cr0 s VAL 37 CO 0.16 -0.69 1.44 -1.20 -0.31 0.00 0.00 175.10 174.50 2cr0 n SER 38 N 0.92 3.24 -2.11 4.85 7.64 -1.26 -4.97 113.62 121.92 2cr0 n SER 38 Ca -0.20 -3.35 -0.09 0.00 1.01 0.00 0.00 58.87 56.24 2cr0 n SER 38 Cb 0.58 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.82 -0.53 -3.31 1.43 -1.74 -1.26 -5.14 117.46 106.09 2cr0 n PHE 39 Ca 0.27 -1.38 -0.39 0.00 -0.56 0.00 0.00 57.45 55.40 2cr0 n PHE 39 Cb 0.97 0.18 -0.07 0.00 1.52 0.00 0.00 39.48 42.08 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 -2.63 4.19 0.56 3.97 6.06 -1.26 -4.51 118.95 125.34 2cr0 s ARG 40 Ca 0.19 0.33 -0.16 0.00 -2.50 0.00 0.00 55.73 53.60 2cr0 s ARG 40 Cb 0.01 -3.54 -0.05 0.00 0.06 0.00 0.00 34.95 31.42 2cr0 s ARG 40 CO 0.14 -0.09 1.03 -0.51 -2.50 0.00 0.00 175.30 173.36 2cr0 s LEU 41 N 1.45 3.53 -0.07 -0.88 1.43 -0.64 -5.05 118.68 118.44 2cr0 s LEU 41 Ca 0.22 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.06 2cr0 s LEU 41 Cb -0.15 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.54 2cr0 s LEU 41 CO 0.09 -0.92 -0.24 -0.54 0.23 0.00 0.00 176.35 174.97 2cr0 s LYS 42 N -4.16 2.74 0.46 1.70 -0.14 -1.26 -4.93 119.74 114.14 2cr0 s LYS 42 Ca 0.61 -0.89 0.34 0.00 -1.36 0.00 0.00 55.97 54.67 2cr0 s LYS 42 Cb -0.13 -2.23 1.50 0.00 -1.68 0.00 0.00 37.83 35.30 2cr0 s LYS 42 CO 0.36 0.32 1.59 0.78 -0.76 0.00 0.00 175.35 177.64 2cr0 h GLY 43 N 6.27 1.20 1.30 -3.33 0.00 -1.97 1.22 103.07 107.76 2cr0 h GLY 43 Ca -0.28 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 2cr0 h GLY 43 CO 0.47 -0.40 -0.92 0.07 0.00 0.00 0.00 176.54 175.76 2cr0 h LYS 44 N 0.03 0.65 -0.97 4.80 2.10 -2.04 -3.24 116.57 117.90 2cr0 h LYS 44 Ca 0.87 -0.63 0.03 0.00 -2.00 0.00 0.00 60.65 58.92 2cr0 h LYS 44 Cb 2.86 0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 34.30 2cr0 h LYS 44 CO -0.40 1.23 0.63 -0.44 -2.00 0.00 0.00 179.45 178.48 2cr0 h ASP 45 N 0.40 1.07 -3.29 7.07 3.32 0.11 -3.42 116.42 121.67 2cr0 h ASP 45 Ca -0.09 -0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.38 2cr0 h ASP 45 Cb 1.56 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 2cr0 h ASP 45 CO 0.18 0.75 -0.19 0.68 -1.72 0.00 0.00 179.24 178.93 2cr0 s VAL 46 N -6.10 5.02 -0.36 -1.35 -7.23 -0.75 -2.83 120.40 106.80 2cr0 s VAL 46 Ca -0.13 0.37 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2cr0 s VAL 46 Cb 0.18 -3.64 0.11 0.00 0.56 0.00 0.00 36.38 33.59 2cr0 s VAL 46 CO 0.81 0.06 0.11 -0.69 -0.31 0.00 0.00 175.10 175.07 2cr0 s VAL 47 N -1.66 1.85 -0.40 1.32 1.01 0.41 -4.81 120.40 118.11 2cr0 s VAL 47 Ca 0.42 -2.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.17 2cr0 s VAL 47 Cb -0.12 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.01 2cr0 s VAL 47 CO 0.21 -0.67 0.17 -0.69 0.00 0.00 0.00 175.10 174.12 2cr0 s VAL 48 N 0.90 2.98 -0.30 2.92 1.01 -1.26 -2.96 120.40 123.68 2cr0 s VAL 48 Ca 0.12 -2.21 -0.20 0.00 0.00 0.00 0.00 61.98 59.69 2cr0 s VAL 48 Cb -0.20 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2cr0 s VAL 48 CO -0.11 -0.67 0.61 -0.62 0.00 0.00 0.00 175.10 174.31 2cr0 s ASP 49 N 1.45 6.48 -0.29 3.32 -1.08 -0.74 -4.92 116.67 120.89 2cr0 s ASP 49 Ca 0.10 0.40 -0.07 0.00 -0.52 0.00 0.00 52.55 52.46 2cr0 s ASP 49 Cb -0.22 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 2cr0 s ASP 49 CO -0.05 -0.47 0.09 -0.63 0.52 0.00 0.00 175.17 174.63 2cr0 s ILE 50 N 2.57 4.07 0.40 4.11 1.01 -1.26 -1.01 121.20 131.09 2cr0 s ILE 50 Ca 0.24 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2cr0 s ILE 50 Cb -0.15 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2cr0 s ILE 50 CO 0.12 0.11 0.20 0.00 0.00 0.00 0.00 174.94 175.37 2cr0 n GLN 51 N 4.89 0.95 0.28 2.79 1.13 0.16 -4.94 117.38 122.64 2cr0 n GLN 51 Ca -0.15 -2.65 -0.16 0.00 -1.94 0.00 0.00 57.00 52.10 2cr0 n GLN 51 Cb 0.49 0.44 -0.08 0.00 0.11 0.00 0.00 30.24 31.19 2cr0 n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2cr0 h ARG 52 N 0.00 -0.69 -0.43 -1.09 9.65 -1.97 -3.34 114.38 116.52 2cr0 h ARG 52 Ca -0.28 0.05 -0.32 0.00 -1.10 0.00 0.00 59.98 58.33 2cr0 h ARG 52 Cb 0.96 0.16 -0.29 0.00 -1.39 0.00 0.00 29.97 29.40 2cr0 h ARG 52 CO 0.45 -0.40 -0.77 -2.13 2.80 0.00 0.00 179.97 179.92 2cr0 n ARG 53 N -5.34 2.53 -3.61 0.20 0.63 -1.26 -1.29 116.66 108.52 2cr0 n ARG 53 Ca -0.12 -3.68 -0.15 0.00 -0.92 0.00 0.00 57.85 52.99 2cr0 n ARG 53 Cb 0.32 -1.84 -0.07 0.00 0.45 0.00 0.00 32.46 31.32 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 -3.26 -0.72 -0.03 -0.14 2.46 -1.25 -2.53 115.29 109.81 2cr0 s HIS 54 Ca 0.43 1.64 -0.06 0.00 0.47 0.00 0.00 55.06 57.54 2cr0 s HIS 54 Cb 0.39 0.30 0.01 0.00 -0.13 0.00 0.00 32.58 33.14 2cr0 s HIS 54 CO -0.02 -0.43 0.15 -1.17 -2.47 0.00 0.00 174.74 170.80 2cr0 s LEU 55 N -0.07 1.47 0.01 8.88 2.96 -1.26 0.39 118.68 131.07 2cr0 s LEU 55 Ca -0.03 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2cr0 s LEU 55 Cb -0.04 0.62 -0.01 0.00 0.50 0.00 0.00 46.19 47.26 2cr0 s LEU 55 CO 0.03 -0.21 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.22 2cr0 s ARG 56 N -0.65 0.23 -0.08 1.98 3.52 -0.18 -3.92 118.95 119.84 2cr0 s ARG 56 Ca -0.07 -0.37 -0.08 0.00 -0.13 0.00 0.00 55.73 55.08 2cr0 s ARG 56 Cb -0.04 -0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 2cr0 s ARG 56 CO 0.01 -0.01 0.22 0.08 -0.81 0.00 0.00 175.30 174.79 2cr0 s VAL 57 N -0.82 0.00 0.00 7.11 1.01 -0.71 -1.79 120.40 125.19 2cr0 s VAL 57 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2cr0 s VAL 57 Cb -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2cr0 s VAL 57 CO -0.00 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2cr0 n GLY 58 N 2.95 2.84 3.74 4.51 0.00 -1.16 0.18 105.19 118.24 2cr0 n GLY 58 Ca -0.13 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 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 4.48 0.00 0.99 2.01 -1.26 -0.45 118.68 124.45 2cr0 s LEU 59 Ca 0.00 2.07 0.00 0.00 0.01 0.00 0.00 54.13 56.21 2cr0 s LEU 59 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.60 2cr0 s LEU 59 CO 0.00 -0.23 0.60 1.17 1.01 0.00 0.00 176.35 178.90 2cr0 n LYS 60 N 2.49 0.00 -1.27 1.70 0.00 -1.13 -0.51 118.16 119.44 2cr0 n LYS 60 Ca 0.03 0.60 -0.32 0.00 0.00 0.00 0.00 58.31 58.63 2cr0 n LYS 60 Cb 0.46 -0.96 -0.07 0.00 0.00 0.00 0.00 35.03 34.47 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 -0.96 3.97 3.65 3.14 0.00 -1.26 -4.81 105.19 108.93 2cr0 n GLY 61 Ca 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.52 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 1.60 0.94 0.25 1.61 -0.21 0.33 -5.15 119.66 119.03 2cr0 s GLN 62 Ca 0.68 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 2cr0 s GLN 62 Cb 0.22 0.35 -0.09 0.00 1.00 0.00 0.00 33.01 34.49 2cr0 s GLN 62 CO -0.05 -0.42 1.27 -1.25 -2.12 0.00 0.00 175.29 172.72 2cr0 s PRO 63 N -3.08 4.43 -0.33 2.91 0.04 -1.26 -4.51 135.00 133.19 2cr0 s PRO 63 Ca 0.10 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 2cr0 s PRO 63 Cb -0.00 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 2cr0 s PRO 63 CO -0.02 -0.15 1.68 -1.25 0.04 0.00 0.00 177.00 177.30 2cr0 s PRO 64 N -0.83 3.47 0.53 0.56 0.04 -1.26 -4.46 135.00 133.05 2cr0 s PRO 64 Ca 0.52 1.37 0.24 0.00 0.04 0.00 0.00 61.00 63.17 2cr0 s PRO 64 Cb -0.37 -4.13 1.39 0.00 0.04 0.00 0.00 34.50 31.43 2cr0 s PRO 64 CO 0.43 -1.69 2.03 -0.24 0.04 0.00 0.00 177.00 177.57 2cr0 h VAL 65 N 6.62 0.76 -3.51 -0.36 3.04 -0.64 -3.36 116.25 118.80 2cr0 h VAL 65 Ca -0.32 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.78 2cr0 h VAL 65 Cb 1.15 0.79 -0.38 0.00 -2.01 0.00 0.00 31.29 30.84 2cr0 h VAL 65 CO 1.04 0.00 -0.79 -0.69 -1.01 0.00 0.00 177.57 176.12 2cr0 s VAL 66 N -5.00 1.32 -0.20 1.51 1.01 -1.04 -4.99 120.40 113.01 2cr0 s VAL 66 Ca -0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2cr0 s VAL 66 Cb 0.19 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 35.07 2cr0 s VAL 66 CO 0.71 -0.06 0.19 1.51 0.00 0.00 0.00 175.10 177.45 2cr0 s ASP 67 N 1.50 1.68 0.00 3.32 -4.77 -1.26 -1.74 116.67 115.40 2cr0 s ASP 67 Ca -0.04 -0.37 0.00 0.00 -3.30 0.00 0.00 52.55 48.84 2cr0 s ASP 67 Cb -0.18 0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.88 2cr0 s ASP 67 CO -0.07 -0.34 0.00 0.61 0.70 0.00 0.00 175.17 176.07 2cr0 n GLY 68 N 5.31 1.52 3.73 2.12 0.00 -1.25 -4.84 105.19 111.78 2cr0 n GLY 68 Ca -0.06 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 4.16 0.55 1.61 2.12 -1.26 -4.05 118.70 119.83 2cr0 s GLU 69 Ca 0.00 2.51 -0.20 0.00 0.36 0.00 0.00 54.97 57.64 2cr0 s GLU 69 Cb 0.00 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2cr0 s GLU 69 CO 0.00 -0.64 1.23 -0.51 -0.54 0.00 0.00 175.26 174.79 2cr0 s LEU 70 N 0.42 3.80 0.13 2.70 1.43 -1.05 -1.07 118.68 125.03 2cr0 s LEU 70 Ca 0.68 2.44 -0.21 0.00 -1.03 0.00 0.00 54.13 56.01 2cr0 s LEU 70 Cb -0.47 -4.44 -0.03 0.00 0.03 0.00 0.00 46.19 41.28 2cr0 s LEU 70 CO 0.39 -1.40 1.69 0.22 0.23 0.00 0.00 176.35 177.48 2cr0 h TYR 71 N 1.32 -0.20 -4.57 0.29 3.20 -1.74 -3.45 116.97 111.83 2cr0 h TYR 71 Ca -0.50 0.02 -0.44 0.00 3.14 0.00 0.00 58.73 60.94 2cr0 h TYR 71 Cb 1.28 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 39.56 2cr0 h TYR 71 CO 0.48 -0.13 -0.41 -1.71 -1.64 0.00 0.00 178.16 174.75 2cr0 n ASN 72 N -5.23 -0.11 -4.76 -2.11 2.85 -1.26 -5.07 115.26 99.57 2cr0 n ASN 72 Ca -0.03 -2.93 -0.40 0.00 -0.11 0.00 0.00 54.58 51.11 2cr0 n ASN 72 Cb 0.15 1.32 -0.03 0.00 1.24 0.00 0.00 39.78 42.46 2cr0 n ASN 72 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2cr0 s GLU 73 N -3.25 4.48 -0.08 1.20 2.02 -1.26 -4.71 118.70 117.11 2cr0 s GLU 73 Ca 0.30 1.90 -0.01 0.00 0.02 0.00 0.00 54.97 57.18 2cr0 s GLU 73 Cb 0.01 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.20 2cr0 s GLU 73 CO 0.22 0.04 -0.02 0.14 0.02 0.00 0.00 175.26 175.66 2cr0 s VAL 74 N -1.21 0.50 -0.97 2.63 -7.23 -0.41 -3.08 120.40 110.64 2cr0 s VAL 74 Ca 0.48 0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.51 2cr0 s VAL 74 Cb -0.33 -0.62 -0.28 0.00 0.56 0.00 0.00 36.38 35.70 2cr0 s VAL 74 CO 0.43 0.27 2.33 1.17 -0.31 0.00 0.00 175.10 179.00 2cr0 n LYS 75 N 5.00 0.07 -0.14 4.82 4.81 0.23 -4.52 118.16 128.43 2cr0 n LYS 75 Ca -0.10 -0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.16 2cr0 n LYS 75 Cb 0.50 -1.42 -0.01 0.00 0.02 0.00 0.00 35.03 34.12 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 7.36 1.27 -0.03 3.15 3.04 -1.87 0.49 116.25 129.66 2cr0 h VAL 76 Ca 0.00 -1.43 0.01 0.00 -1.01 0.00 0.00 66.70 64.27 2cr0 h VAL 76 Cb 1.18 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2cr0 h VAL 76 CO 1.50 0.49 0.10 -0.33 -1.01 0.00 0.00 177.57 178.32 2cr0 h GLU 77 N 0.78 0.00 0.00 4.17 4.39 -1.94 -2.36 114.58 119.62 2cr0 h GLU 77 Ca 0.09 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.53 2cr0 h GLU 77 Cb 0.85 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 2cr0 h GLU 77 CO 0.07 0.00 -1.98 0.39 -1.16 0.00 0.00 179.01 176.34 2cr0 n GLU 78 N -3.27 1.28 -1.13 2.33 -0.58 -1.03 -5.02 120.64 113.23 2cr0 n GLU 78 Ca -0.02 0.03 -0.36 0.00 -0.42 0.00 0.00 57.16 56.39 2cr0 n GLU 78 Cb 0.17 -1.36 0.07 0.00 -0.57 0.00 0.00 31.44 29.75 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 -2.69 -2.50 -3.61 1.62 7.64 0.17 -4.93 113.62 109.32 2cr0 n SER 79 Ca -0.26 0.48 -0.06 0.00 1.01 0.00 0.00 58.87 60.05 2cr0 n SER 79 Cb 0.91 -1.09 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.44 -0.18 0.39 6.43 0.01 -0.80 -4.96 113.70 113.15 2cr0 s SER 80 Ca 0.58 0.17 0.05 0.00 1.31 0.00 0.00 55.95 58.06 2cr0 s SER 80 Cb -0.31 0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.01 2cr0 s SER 80 CO 0.65 -0.18 0.04 -1.66 0.41 0.00 0.00 173.24 172.49 2cr0 s TRP 81 N -1.27 2.17 -0.18 2.43 1.48 -1.26 0.23 118.94 122.55 2cr0 s TRP 81 Ca 0.05 -0.86 -0.28 0.00 -1.06 0.00 0.00 56.10 53.95 2cr0 s TRP 81 Cb -0.01 -1.52 0.08 0.00 -1.16 0.00 0.00 33.47 30.86 2cr0 s TRP 81 CO -0.04 0.20 0.75 -0.48 -4.06 0.00 0.00 176.95 173.32 2cr0 s LEU 82 N -3.64 -0.66 -0.38 -4.66 0.05 0.10 -4.94 118.68 104.55 2cr0 s LEU 82 Ca 0.31 1.03 -0.25 0.00 0.05 0.00 0.00 54.13 55.28 2cr0 s LEU 82 Cb 0.08 2.41 0.01 0.00 -2.05 0.00 0.00 46.19 46.64 2cr0 s LEU 82 CO 0.15 -0.39 0.86 -0.63 -0.55 0.00 0.00 176.35 175.79 2cr0 s ILE 83 N -0.37 4.63 -0.07 1.48 1.01 -1.26 -0.90 121.20 125.72 2cr0 s ILE 83 Ca -0.04 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 61.39 2cr0 s ILE 83 Cb -0.03 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 2cr0 s ILE 83 CO 0.04 -0.54 0.48 -1.61 0.00 0.00 0.00 174.94 173.31 2cr0 s GLU 84 N 3.35 4.24 -1.64 2.79 2.02 0.36 -4.00 118.70 125.82 2cr0 s GLU 84 Ca 0.35 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.83 2cr0 s GLU 84 Cb -0.12 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2cr0 s GLU 84 CO 0.19 0.33 0.00 -3.47 0.02 0.00 0.00 175.26 172.33 2cr0 n ASP 85 N 3.04 -4.78 -1.13 -0.19 -0.08 -1.26 -0.33 116.55 111.82 2cr0 n ASP 85 Ca -0.09 0.25 -0.06 0.00 -1.51 0.00 0.00 54.79 53.38 2cr0 n ASP 85 Cb 0.52 -4.15 -0.03 0.00 2.34 0.00 0.00 41.12 39.80 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr0 n GLY 86 N -0.62 0.58 0.00 0.27 0.00 -1.26 -4.48 105.19 99.69 2cr0 n GLY 86 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.34 1.91 -4.46 1.61 2.85 -0.77 -1.62 118.16 116.33 2cr0 n LYS 87 Ca -0.06 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.89 2cr0 n LYS 87 Cb 0.21 -0.71 -0.11 0.00 -0.65 0.00 0.00 35.03 33.77 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 -1.34 3.28 -0.37 0.58 1.01 0.55 -1.02 120.40 123.09 2cr0 s VAL 88 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2cr0 s VAL 88 Cb 0.00 -2.44 0.09 0.00 0.00 0.00 0.00 36.38 34.03 2cr0 s VAL 88 CO 0.00 0.30 0.13 -0.69 0.00 0.00 0.00 175.10 174.83 2cr0 s VAL 89 N -1.03 3.05 -0.19 2.92 1.01 -0.70 0.13 120.40 125.59 2cr0 s VAL 89 Ca 0.17 -1.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.07 2cr0 s VAL 89 Cb -0.11 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2cr0 s VAL 89 CO 0.08 -0.53 0.33 0.42 0.00 0.00 0.00 175.10 175.41 2cr0 s THR 90 N 1.13 5.26 -0.21 3.92 -4.23 -0.08 -1.81 115.64 119.61 2cr0 s THR 90 Ca 0.05 0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 2cr0 s THR 90 Cb -0.21 -3.67 -0.00 0.00 1.34 0.00 0.00 72.50 69.95 2cr0 s THR 90 CO -0.04 0.32 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.60 2cr0 s VAL 91 N 0.92 3.16 -0.37 2.29 1.01 -0.41 0.02 120.40 127.02 2cr0 s VAL 91 Ca 0.17 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 2cr0 s VAL 91 Cb -0.14 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2cr0 s VAL 91 CO 0.06 0.44 0.62 -2.28 0.00 0.00 0.00 175.10 173.95 2cr0 s HIS 92 N 1.41 3.14 -0.29 5.22 5.04 0.14 -1.46 115.29 128.48 2cr0 s HIS 92 Ca 0.05 0.25 -0.08 0.00 -1.54 0.00 0.00 55.06 53.74 2cr0 s HIS 92 Cb -0.14 -3.16 -0.01 0.00 0.04 0.00 0.00 32.58 29.31 2cr0 s HIS 92 CO -0.04 -0.67 0.11 -0.51 -2.34 0.00 0.00 174.74 171.28 2cr0 s LEU 93 N 2.70 3.81 -0.13 8.88 1.43 0.79 -1.91 118.68 134.25 2cr0 s LEU 93 Ca 0.23 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 2cr0 s LEU 93 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2cr0 s LEU 93 CO 0.16 -0.14 0.87 -0.70 0.23 0.00 0.00 176.35 176.77 2cr0 s GLU 94 N 1.59 4.36 -0.39 1.70 2.12 -1.26 -0.27 118.70 126.55 2cr0 s GLU 94 Ca 0.05 1.11 -0.28 0.00 0.36 0.00 0.00 54.97 56.21 2cr0 s GLU 94 Cb -0.16 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.70 2cr0 s GLU 94 CO 0.04 -0.27 1.03 0.15 -0.54 0.00 0.00 175.26 175.68 2cr0 s LYS 95 N 1.90 3.86 0.29 4.30 1.02 -1.25 -0.60 119.74 129.26 2cr0 s LYS 95 Ca 0.41 0.70 0.19 0.00 0.02 0.00 0.00 55.97 57.30 2cr0 s LYS 95 Cb -0.17 -3.82 1.01 0.00 -0.52 0.00 0.00 37.83 34.33 2cr0 s LYS 95 CO 0.15 -1.07 1.11 -0.89 -0.92 0.00 0.00 175.35 173.74 2cr0 n ILE 96 N 6.20 -0.23 -4.59 2.17 2.08 -1.18 -3.79 119.36 120.03 2cr0 n ILE 96 Ca 0.10 1.35 -0.29 0.00 0.56 0.00 0.00 62.75 64.47 2cr0 n ILE 96 Cb 0.48 -2.20 -0.17 0.00 -0.75 0.00 0.00 39.64 37.00 2cr0 n ILE 96 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2cr0 s ASN 97 N -4.49 2.49 0.21 4.38 2.47 -1.26 -4.98 114.94 113.75 2cr0 s ASN 97 Ca -0.06 -0.44 0.25 0.00 0.42 0.00 0.00 52.86 53.03 2cr0 s ASN 97 Cb 0.23 -1.13 0.90 0.00 -1.45 0.00 0.00 41.25 39.80 2cr0 s ASN 97 CO 0.57 0.04 1.75 0.29 -3.72 0.00 0.00 177.10 176.03 2cr0 n LYS 98 N 4.05 0.21 -1.29 0.43 4.76 -1.25 -3.08 118.16 121.98 2cr0 n LYS 98 Ca -0.20 0.29 -0.30 0.00 -2.87 0.00 0.00 58.31 55.23 2cr0 n LYS 98 Cb 0.52 -1.80 0.12 0.00 -1.84 0.00 0.00 35.03 32.03 2cr0 n LYS 98 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2cr0 n MET 99 N -2.17 2.52 -4.13 1.97 2.81 -1.26 -4.12 117.12 112.74 2cr0 n MET 99 Ca 0.04 -3.20 -0.15 0.00 -1.81 0.00 0.00 57.70 52.59 2cr0 n MET 99 Cb 0.33 -2.24 -0.13 0.00 -0.71 0.00 0.00 33.22 30.48 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 -3.60 0.52 0.35 0.03 2.56 -1.18 -5.14 118.70 112.23 2cr0 s GLU 100 Ca 0.61 -0.50 0.07 0.00 0.00 0.00 0.00 54.97 55.15 2cr0 s GLU 100 Cb 0.49 -0.40 -0.03 0.00 2.00 0.00 0.00 34.13 36.20 2cr0 s GLU 100 CO 0.04 0.09 0.30 -1.58 -0.56 0.00 0.00 175.26 173.56 2cr0 s TRP 101 N -0.77 2.87 -0.00 5.30 0.52 -1.26 -4.43 118.94 121.17 2cr0 s TRP 101 Ca -0.04 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 55.83 2cr0 s TRP 101 Cb -0.06 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.39 2cr0 s TRP 101 CO 0.00 0.14 -0.25 -1.58 0.02 0.00 0.00 176.95 175.28 2cr0 s TRP 102 N -2.33 2.25 -0.18 -1.98 0.52 -1.26 -5.02 118.94 110.94 2cr0 s TRP 102 Ca 0.42 -0.42 0.22 0.00 0.02 0.00 0.00 56.10 56.34 2cr0 s TRP 102 Cb -0.05 -1.42 -0.13 0.00 -1.15 0.00 0.00 33.47 30.71 2cr0 s TRP 102 CO 0.27 0.00 0.83 -1.71 0.02 0.00 0.00 176.95 176.35 2cr0 n ASN 103 N 2.30 0.51 -3.60 2.95 2.85 -1.26 -4.93 115.26 114.07 2cr0 n ASN 103 Ca -0.16 0.17 -0.05 0.00 -0.11 0.00 0.00 54.58 54.43 2cr0 n ASN 103 Cb 0.51 1.07 -0.03 0.00 1.24 0.00 0.00 39.78 42.57 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cr0 s ARG 104 N -3.41 0.29 0.02 1.20 1.70 -1.26 -1.75 118.95 115.74 2cr0 s ARG 104 Ca -0.03 -0.04 -0.18 0.00 -0.47 0.00 0.00 55.73 55.01 2cr0 s ARG 104 Cb 0.12 0.14 -0.10 0.00 -0.57 0.00 0.00 34.95 34.53 2cr0 s ARG 104 CO 0.84 -0.11 1.20 1.25 -1.08 0.00 0.00 175.30 177.39 2cr0 h LEU 105 N 2.10 -0.54 -8.53 -1.89 5.85 -1.90 -3.39 115.31 107.01 2cr0 h LEU 105 Ca -0.10 0.02 -0.47 0.00 0.84 0.00 0.00 57.88 58.17 2cr0 h LEU 105 Cb 1.17 0.14 -0.21 0.00 0.37 0.00 0.00 40.66 42.13 2cr0 h LEU 105 CO 0.24 -0.37 -0.80 0.68 -0.34 0.00 0.00 178.44 177.85 2cr0 s VAL 106 N -4.28 1.37 0.56 1.05 -7.23 -1.26 -3.07 120.40 107.55 2cr0 s VAL 106 Ca -0.09 -1.43 0.45 0.00 -1.81 0.00 0.00 61.98 59.10 2cr0 s VAL 106 Cb 0.01 -1.29 0.66 0.00 0.56 0.00 0.00 36.38 36.31 2cr0 s VAL 106 CO 0.28 -0.17 1.60 0.71 -0.31 0.00 0.00 175.10 177.20 2cr0 h THR 107 N 4.16 0.09 -0.15 5.32 1.35 -1.38 0.91 112.91 123.22 2cr0 h THR 107 Ca -0.43 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.34 2cr0 h THR 107 Cb 1.19 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2cr0 h THR 107 CO 0.40 0.00 -0.25 -1.28 -0.25 0.00 0.00 175.52 174.14 2cr0 h SER 108 N 0.00 0.48 -4.20 5.36 0.87 -1.88 -3.45 113.55 110.72 2cr0 h SER 108 Ca 0.80 -0.54 -0.54 0.00 -1.23 0.00 0.00 61.79 60.28 2cr0 h SER 108 Cb 3.33 -0.14 0.18 0.00 -0.44 0.00 0.00 62.40 65.34 2cr0 h SER 108 CO -0.01 0.92 0.34 0.47 -0.53 0.00 0.00 176.83 178.02 2cr0 n ASP 109 N -4.44 1.03 -4.77 6.23 9.92 0.32 -4.97 116.55 119.86 2cr0 n ASP 109 Ca -0.06 0.58 -0.33 0.00 -0.53 0.00 0.00 54.79 54.45 2cr0 n ASP 109 Cb 0.44 -1.51 0.04 0.00 -0.64 0.00 0.00 41.12 39.45 2cr0 n ASP 109 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cr0 s PRO 110 N -4.14 2.87 0.22 -0.24 0.04 -1.26 -4.80 135.00 127.69 2cr0 s PRO 110 Ca 0.73 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2cr0 s PRO 110 Cb -0.29 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 2cr0 s PRO 110 CO 0.51 -1.20 0.57 -1.21 0.04 0.00 0.00 177.00 175.71 2cr0 s GLU 111 N -4.01 3.87 -0.06 4.56 2.02 -1.26 -4.63 118.70 119.19 2cr0 s GLU 111 Ca 0.68 0.37 0.02 0.00 0.02 0.00 0.00 54.97 56.06 2cr0 s GLU 111 Cb -0.21 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.36 2cr0 s GLU 111 CO 0.40 0.33 -0.11 0.96 0.02 0.00 0.00 175.26 176.86 2cr0 s ILE 112 N -1.77 1.00 -0.32 -1.63 -4.36 -0.72 -5.04 121.20 108.37 2cr0 s ILE 112 Ca 0.46 -0.40 -0.41 0.00 -0.26 0.00 0.00 60.65 60.03 2cr0 s ILE 112 Cb -0.12 -0.93 -0.16 0.00 1.25 0.00 0.00 42.46 42.50 2cr0 s ILE 112 CO 0.20 0.32 1.72 -3.20 0.24 0.00 0.00 174.94 174.22 2cr0 n ASN 113 N 3.82 2.17 -4.45 4.36 2.85 -1.26 -4.78 115.26 117.96 2cr0 n ASN 113 Ca -0.23 1.10 -0.36 0.00 -0.11 0.00 0.00 54.58 54.97 2cr0 n ASN 113 Cb 0.52 -1.09 -0.12 0.00 1.24 0.00 0.00 39.78 40.32 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 3.42 4.35 0.01 -0.44 -4.23 -1.26 -5.09 115.64 112.40 2cr0 s THR 114 Ca 1.00 -0.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 2cr0 s THR 114 Cb -1.15 -3.03 -0.01 0.00 1.34 0.00 0.00 72.50 69.65 2cr0 s THR 114 CO 0.69 0.34 -0.08 -1.59 -0.54 0.00 0.00 174.62 173.43 2cr0 s LYS 115 N 1.58 0.65 -0.24 3.99 -2.85 -1.26 -5.13 119.74 116.48 2cr0 s LYS 115 Ca 0.06 -0.41 -0.03 0.00 -1.00 0.00 0.00 55.97 54.60 2cr0 s LYS 115 Cb -0.15 -0.60 0.11 0.00 -2.06 0.00 0.00 37.83 35.13 2cr0 s LYS 115 CO 0.04 0.16 0.26 -1.54 0.10 0.00 0.00 175.35 174.36 2cr0 s SER 116 N -0.51 1.43 -0.25 0.03 1.04 -1.26 -5.14 113.70 109.04 2cr0 s SER 116 Ca 0.01 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 55.78 2cr0 s SER 116 Cb -0.05 0.48 0.17 0.00 0.10 0.00 0.00 66.02 66.72 2cr0 s SER 116 CO 0.00 -0.35 1.26 -0.83 0.98 0.00 0.00 173.24 174.30 2cr0 s GLY 117 N 2.35 0.02 0.60 7.32 0.00 -1.26 -5.18 107.32 111.17 2cr0 s GLY 117 Ca 0.08 2.71 -0.10 0.00 0.00 0.00 0.00 44.72 47.42 2cr0 s GLY 117 CO -0.20 1.25 0.53 -1.55 0.00 0.00 0.00 173.10 173.13 2cr0 n PRO 118 N 0.83 -2.06 -2.37 2.90 -0.04 -1.26 -4.99 135.00 128.01 2cr0 n PRO 118 Ca -0.05 -0.85 -0.37 0.00 -0.04 0.00 0.00 63.50 62.19 2cr0 n PRO 118 Cb 0.58 -0.79 -0.02 0.00 -0.04 0.00 0.00 33.50 33.22 2cr0 n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr0 s SER 119 N -2.93 6.50 0.07 3.54 0.15 -1.26 -5.05 113.70 114.72 2cr0 s SER 119 Ca 0.34 2.22 -0.25 0.00 0.70 0.00 0.00 55.95 58.96 2cr0 s SER 119 Cb -0.03 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.74 2cr0 s SER 119 CO 0.26 -0.69 0.61 -0.44 1.20 0.00 0.00 173.24 174.19 2cr0 s SER 120 N -1.36 -0.58 0.00 5.45 0.01 -1.26 -5.34 113.70 110.63 2cr0 s SER 120 Ca 0.59 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2cr0 s SER 120 Cb -0.27 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2cr0 s SER 120 CO 0.33 -0.81 0.38 0.61 0.41 0.00 0.00 173.24 174.16