#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr0 n SER 2 N 0.00 0.16 -3.68 1.61 2.88 -1.26 -5.03 113.62 108.30 2cr0 n SER 2 Ca 0.00 0.43 -0.24 0.00 -1.33 0.00 0.00 58.87 57.73 2cr0 n SER 2 Cb 0.00 -1.45 -0.17 0.00 -0.75 0.00 0.00 64.21 61.83 2cr0 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cr0 s SER 3 N -2.50 1.97 0.22 -3.46 1.04 -1.26 -4.92 113.70 104.80 2cr0 s SER 3 Ca 0.67 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2cr0 s SER 3 Cb -0.24 -0.31 -0.05 0.00 0.10 0.00 0.00 66.02 65.52 2cr0 s SER 3 CO 0.58 -0.29 0.10 -0.83 0.98 0.00 0.00 173.24 173.78 2cr0 s GLY 4 N 2.07 1.55 -0.26 7.32 0.00 -1.26 -5.08 107.32 111.66 2cr0 s GLY 4 Ca 0.03 -1.77 -0.14 0.00 0.00 0.00 0.00 44.72 42.84 2cr0 s GLY 4 CO -0.06 -1.51 -0.21 -1.26 0.00 0.00 0.00 173.10 170.06 2cr0 n SER 5 N -0.36 1.95 -4.46 1.64 2.88 -1.26 -4.85 113.62 109.15 2cr0 n SER 5 Ca -0.00 0.31 -0.43 0.00 -1.33 0.00 0.00 58.87 57.41 2cr0 n SER 5 Cb 0.66 -0.81 -0.08 0.00 -0.75 0.00 0.00 64.21 63.22 2cr0 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cr0 s SER 6 N -7.27 6.19 1.08 -3.46 1.04 -1.26 -5.04 113.70 104.97 2cr0 s SER 6 Ca -0.36 -0.82 -0.12 0.00 0.48 0.00 0.00 55.95 55.13 2cr0 s SER 6 Cb 0.12 -2.22 0.23 0.00 0.10 0.00 0.00 66.02 64.25 2cr0 s SER 6 CO 0.53 -0.62 1.06 -0.83 0.98 0.00 0.00 173.24 174.36 2cr0 s GLY 7 N 2.03 1.56 0.16 7.32 0.00 -1.26 -5.06 107.32 112.08 2cr0 s GLY 7 Ca 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 44.72 44.74 2cr0 s GLY 7 CO 0.12 0.46 -0.24 -1.59 0.00 0.00 0.00 173.10 171.86 2cr0 s LYS 8 N -4.70 1.54 0.76 2.90 -2.85 -1.26 -4.99 119.74 111.14 2cr0 s LYS 8 Ca 0.67 -1.42 -0.11 0.00 -1.00 0.00 0.00 55.97 54.11 2cr0 s LYS 8 Cb -0.22 -1.91 0.05 0.00 -2.06 0.00 0.00 37.83 33.69 2cr0 s LYS 8 CO 0.61 0.43 1.09 -1.25 0.10 0.00 0.00 175.35 176.33 2cr0 s PRO 9 N -2.42 2.32 0.37 1.78 0.04 -1.26 -2.03 135.00 133.80 2cr0 s PRO 9 Ca 0.18 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.46 2cr0 s PRO 9 Cb -0.09 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2cr0 s PRO 9 CO 0.09 -1.60 0.10 0.54 0.04 0.00 0.00 177.00 176.17 2cr0 s ASN 10 N -3.29 2.56 0.25 6.66 2.20 -1.17 -4.79 114.94 117.36 2cr0 s ASN 10 Ca 0.62 -1.55 -0.06 0.00 -0.94 0.00 0.00 52.86 50.92 2cr0 s ASN 10 Cb -0.18 0.28 0.45 0.00 -2.00 0.00 0.00 41.25 39.81 2cr0 s ASN 10 CO 0.54 -0.81 1.64 -0.07 -2.94 0.00 0.00 177.10 175.47 2cr0 h LEU 11 N 1.93 -0.27 -2.98 3.54 3.38 -1.98 0.13 115.31 119.07 2cr0 h LEU 11 Ca -0.38 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2cr0 h LEU 11 Cb 1.26 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2cr0 h LEU 11 CO 0.62 -0.16 0.01 0.61 0.09 0.00 0.00 178.44 179.61 2cr0 n GLY 12 N -1.40 2.52 3.63 0.83 0.00 -1.26 -4.76 105.19 104.74 2cr0 n GLY 12 Ca 0.14 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 1.44 -1.36 0.00 1.61 3.02 0.46 -1.36 115.26 119.06 2cr0 n ASN 13 Ca 0.01 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2cr0 n ASN 13 Cb 0.50 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2cr0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cr0 n GLY 14 N -0.85 3.20 2.89 7.41 0.00 -1.24 -4.34 105.19 112.26 2cr0 n GLY 14 Ca 0.08 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.59 -0.27 -0.48 4.61 0.00 -1.07 -3.05 121.76 118.90 2cr0 s ALA 15 Ca 0.00 0.66 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 2cr0 s ALA 15 Cb 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2cr0 s ALA 15 CO 0.00 -0.54 1.04 0.34 0.00 0.00 0.00 175.76 176.60 2cr0 s ASP 16 N 2.21 6.54 0.12 0.00 -1.08 -0.86 -3.78 116.67 119.82 2cr0 s ASP 16 Ca 0.01 0.24 0.07 0.00 -0.52 0.00 0.00 52.55 52.35 2cr0 s ASP 16 Cb -0.12 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.80 2cr0 s ASP 16 CO -0.06 -1.19 -0.09 -0.76 0.52 0.00 0.00 175.17 173.59 2cr0 s LEU 17 N 4.18 3.05 0.47 -1.34 1.43 -1.11 -4.32 118.68 121.03 2cr0 s LEU 17 Ca 0.42 -0.42 0.26 0.00 -1.03 0.00 0.00 54.13 53.36 2cr0 s LEU 17 Cb -0.09 -1.82 1.09 0.00 0.03 0.00 0.00 46.19 45.40 2cr0 s LEU 17 CO 0.28 0.16 1.90 1.55 0.23 0.00 0.00 176.35 180.47 2cr0 h PRO 18 N 3.43 0.00 0.09 1.29 0.13 -1.95 -3.05 132.00 131.93 2cr0 h PRO 18 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 2cr0 h PRO 18 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2cr0 h PRO 18 CO 0.53 0.19 -1.59 -0.91 -0.23 0.00 0.00 178.00 175.98 2cr0 h ASN 19 N 0.00 0.29 -4.18 1.44 4.21 -1.98 -3.47 115.58 111.89 2cr0 h ASN 19 Ca -0.00 -0.46 0.15 0.00 1.21 0.00 0.00 56.30 57.20 2cr0 h ASN 19 Cb 0.63 -0.09 -0.20 0.00 -1.12 0.00 0.00 38.32 37.53 2cr0 h ASN 19 CO 0.02 1.39 0.65 -0.72 -1.29 0.00 0.00 177.43 177.48 2cr0 s TYR 20 N -2.61 -0.26 -0.08 1.19 -0.85 -1.15 -4.26 117.35 109.32 2cr0 s TYR 20 Ca -0.09 0.31 0.03 0.00 -0.52 0.00 0.00 57.07 56.79 2cr0 s TYR 20 Cb 0.07 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.89 2cr0 s TYR 20 CO 0.83 -0.33 -0.16 -0.98 -1.52 0.00 0.00 175.55 173.40 2cr0 s ARG 21 N -2.00 2.83 -0.04 -3.49 1.70 -0.44 -2.75 118.95 114.76 2cr0 s ARG 21 Ca 0.04 -0.73 -0.04 0.00 -0.47 0.00 0.00 55.73 54.54 2cr0 s ARG 21 Cb -0.01 -2.43 0.01 0.00 -0.57 0.00 0.00 34.95 31.95 2cr0 s ARG 21 CO -0.04 0.44 0.11 1.67 -1.08 0.00 0.00 175.30 176.40 2cr0 s TRP 22 N -0.25 -0.12 0.11 5.89 1.48 -1.25 0.99 118.94 125.80 2cr0 s TRP 22 Ca 0.01 0.31 0.11 0.00 -1.06 0.00 0.00 56.10 55.46 2cr0 s TRP 22 Cb -0.13 0.03 -0.04 0.00 -1.16 0.00 0.00 33.47 32.17 2cr0 s TRP 22 CO 0.03 -0.07 -0.27 0.95 -4.06 0.00 0.00 176.95 173.53 2cr0 s THR 23 N 0.15 2.23 -0.02 0.66 -4.23 0.92 -2.60 115.64 112.76 2cr0 s THR 23 Ca -0.01 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 2cr0 s THR 23 Cb -0.02 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 2cr0 s THR 23 CO -0.00 0.14 -0.14 0.00 -0.54 0.00 0.00 174.62 174.07 2cr0 s GLN 24 N -1.92 1.31 0.03 3.99 -2.07 -0.47 0.67 119.66 121.21 2cr0 s GLN 24 Ca 0.14 -0.51 0.01 0.00 -1.82 0.00 0.00 55.36 53.18 2cr0 s GLN 24 Cb -0.10 -1.21 -0.02 0.00 -1.09 0.00 0.00 33.01 30.59 2cr0 s GLN 24 CO 0.05 0.26 -0.06 0.95 -1.32 0.00 0.00 175.29 175.17 2cr0 s THR 25 N -0.13 0.39 0.61 3.63 -4.23 0.26 -4.21 115.64 111.95 2cr0 s THR 25 Ca 0.01 -0.89 0.25 0.00 -1.18 0.00 0.00 61.69 59.89 2cr0 s THR 25 Cb -0.08 -0.46 0.37 0.00 1.34 0.00 0.00 72.50 73.67 2cr0 s THR 25 CO 0.00 -0.34 1.30 -0.07 -0.54 0.00 0.00 174.62 174.98 2cr0 h LEU 26 N 4.78 0.00 0.00 4.79 3.38 -1.83 -0.77 115.31 125.65 2cr0 h LEU 26 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2cr0 h LEU 26 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2cr0 h LEU 26 CO 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.92 2cr0 h ALA 27 N 0.53 0.00 -2.91 1.53 0.00 -1.86 -3.29 119.26 113.26 2cr0 h ALA 27 Ca 0.46 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 2cr0 h ALA 27 Cb 2.82 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 20.57 2cr0 h ALA 27 CO -0.00 0.03 -0.14 -1.83 0.00 0.00 0.00 179.25 177.31 2cr0 s GLU 28 N -1.18 1.86 0.37 0.00 4.04 -0.30 -3.70 118.70 119.80 2cr0 s GLU 28 Ca -0.01 -1.62 0.08 0.00 0.04 0.00 0.00 54.97 53.46 2cr0 s GLU 28 Cb 0.00 0.47 -0.05 0.00 0.02 0.00 0.00 34.13 34.57 2cr0 s GLU 28 CO 0.01 -0.78 0.15 -1.17 -1.84 0.00 0.00 175.26 171.63 2cr0 s LEU 29 N -3.17 3.18 -0.09 1.83 0.20 0.67 -0.57 118.68 120.72 2cr0 s LEU 29 Ca 0.27 -0.91 -0.13 0.00 0.69 0.00 0.00 54.13 54.05 2cr0 s LEU 29 Cb -0.01 -1.59 0.03 0.00 -0.43 0.00 0.00 46.19 44.19 2cr0 s LEU 29 CO 0.17 -0.39 0.34 -1.81 -0.29 0.00 0.00 176.35 174.37 2cr0 s ASP 30 N -3.86 -0.31 0.00 3.68 1.01 0.21 -1.90 116.67 115.51 2cr0 s ASP 30 Ca 0.39 0.48 0.02 0.00 0.71 0.00 0.00 52.55 54.16 2cr0 s ASP 30 Cb 0.00 0.57 -0.01 0.00 1.01 0.00 0.00 42.92 44.49 2cr0 s ASP 30 CO 0.22 -0.24 -0.08 -0.22 0.21 0.00 0.00 175.17 175.06 2cr0 s LEU 31 N -0.37 2.06 -0.25 1.23 2.96 -0.99 -0.06 118.68 123.27 2cr0 s LEU 31 Ca -0.05 -0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2cr0 s LEU 31 Cb -0.03 -0.37 0.08 0.00 0.50 0.00 0.00 46.19 46.36 2cr0 s LEU 31 CO 0.02 0.05 0.05 0.00 -1.32 0.00 0.00 176.35 175.15 2cr0 s ALA 32 N -0.38 1.28 -0.62 5.97 0.00 0.28 -1.38 121.76 126.91 2cr0 s ALA 32 Ca 0.01 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 2cr0 s ALA 32 Cb -0.04 -1.38 0.16 0.00 0.00 0.00 0.00 23.12 21.85 2cr0 s ALA 32 CO -0.00 -1.39 0.54 0.08 0.00 0.00 0.00 175.76 174.99 2cr0 s VAL 33 N 1.73 5.00 -0.05 0.00 1.01 -1.17 -1.33 120.40 125.60 2cr0 s VAL 33 Ca 0.03 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 59.76 2cr0 s VAL 33 Cb -0.17 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2cr0 s VAL 33 CO -0.16 -0.90 1.49 -2.16 0.00 0.00 0.00 175.10 173.38 2cr0 s PRO 34 N 1.00 4.22 -0.22 2.72 0.04 -1.26 -2.88 135.00 138.63 2cr0 s PRO 34 Ca 0.09 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.08 2cr0 s PRO 34 Cb -0.23 -3.78 -0.03 0.00 0.04 0.00 0.00 34.50 30.50 2cr0 s PRO 34 CO -0.02 -0.72 0.06 -0.06 0.04 0.00 0.00 177.00 176.30 2cr0 s PHE 35 N 3.32 3.14 -0.70 0.56 0.08 -1.09 -4.96 117.98 118.33 2cr0 s PHE 35 Ca 0.67 -0.20 -0.23 0.00 0.12 0.00 0.00 56.93 57.28 2cr0 s PHE 35 Cb -0.31 -2.16 -0.18 0.00 -0.57 0.00 0.00 43.02 39.80 2cr0 s PHE 35 CO 0.26 -0.13 1.88 -2.13 -0.10 0.00 0.00 175.22 175.00 2cr0 n ARG 36 N 4.28 1.31 -4.42 0.44 0.63 -1.26 -4.74 116.66 112.90 2cr0 n ARG 36 Ca -0.16 -1.77 -0.30 0.00 -0.92 0.00 0.00 57.85 54.70 2cr0 n ARG 36 Cb 0.52 -2.91 -0.11 0.00 0.45 0.00 0.00 32.46 30.40 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 5.67 3.07 -0.39 5.15 -7.23 -1.26 -5.02 120.40 120.39 2cr0 s VAL 37 Ca 0.60 -1.25 0.16 0.00 -1.81 0.00 0.00 61.98 59.68 2cr0 s VAL 37 Cb 0.14 -2.37 0.61 0.00 0.56 0.00 0.00 36.38 35.31 2cr0 s VAL 37 CO 0.15 0.21 1.52 -1.20 -0.31 0.00 0.00 175.10 175.47 2cr0 n SER 38 N 1.10 4.37 -3.03 4.85 7.64 -1.26 -4.97 113.62 122.32 2cr0 n SER 38 Ca -0.15 -2.82 -0.18 0.00 1.01 0.00 0.00 58.87 56.73 2cr0 n SER 38 Cb 0.52 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.08 -0.74 -2.88 1.43 -1.74 -1.26 -5.14 117.46 107.20 2cr0 n PHE 39 Ca 0.23 -2.55 -0.41 0.00 -0.56 0.00 0.00 57.45 54.16 2cr0 n PHE 39 Cb 0.92 0.27 -0.04 0.00 1.52 0.00 0.00 39.48 42.15 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 -3.23 4.54 0.03 3.97 3.52 -1.26 -4.56 118.95 121.97 2cr0 s ARG 40 Ca 0.36 1.19 -0.22 0.00 -0.13 0.00 0.00 55.73 56.93 2cr0 s ARG 40 Cb 0.02 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 2cr0 s ARG 40 CO 0.26 0.17 0.66 -0.51 -0.81 0.00 0.00 175.30 175.07 2cr0 s LEU 41 N 0.29 4.45 -0.04 -0.88 1.43 0.48 -5.00 118.68 119.41 2cr0 s LEU 41 Ca 0.43 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2cr0 s LEU 41 Cb -0.21 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.93 2cr0 s LEU 41 CO 0.25 0.10 -0.04 -0.54 0.23 0.00 0.00 176.35 176.35 2cr0 s LYS 42 N -0.31 2.76 0.49 1.70 -0.14 -1.26 -4.79 119.74 118.19 2cr0 s LYS 42 Ca 0.34 -0.58 0.39 0.00 -1.36 0.00 0.00 55.97 54.76 2cr0 s LYS 42 Cb -0.19 -2.63 1.58 0.00 -1.68 0.00 0.00 37.83 34.91 2cr0 s LYS 42 CO 0.20 0.65 1.60 0.78 -0.76 0.00 0.00 175.35 177.82 2cr0 h GLY 43 N 4.83 0.72 1.64 -3.33 0.00 -1.98 1.56 103.07 106.51 2cr0 h GLY 43 Ca -0.49 -0.06 -0.25 0.00 0.00 0.00 0.00 47.33 46.54 2cr0 h GLY 43 CO 0.54 -0.24 -1.09 0.07 0.00 0.00 0.00 176.54 175.83 2cr0 h LYS 44 N 0.03 0.30 -0.79 4.80 2.10 -2.03 -3.28 116.57 117.69 2cr0 h LYS 44 Ca 0.87 -0.41 0.01 0.00 -2.00 0.00 0.00 60.65 59.12 2cr0 h LYS 44 Cb 3.11 0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 34.54 2cr0 h LYS 44 CO -0.24 1.14 0.52 0.22 -2.00 0.00 0.00 179.45 179.09 2cr0 h ASP 45 N 0.13 0.90 -3.03 7.07 1.82 0.18 -3.42 116.42 120.07 2cr0 h ASP 45 Ca -0.10 -0.02 -0.49 0.00 -0.39 0.00 0.00 57.03 56.03 2cr0 h ASP 45 Cb 1.78 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 41.57 2cr0 h ASP 45 CO 0.18 0.65 -0.14 0.68 -1.61 0.00 0.00 179.24 179.00 2cr0 s VAL 46 N -6.13 5.06 -0.27 2.25 -7.23 -0.89 -0.64 120.40 112.55 2cr0 s VAL 46 Ca -0.13 -0.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 2cr0 s VAL 46 Cb 0.16 -3.82 0.08 0.00 0.56 0.00 0.00 36.38 33.36 2cr0 s VAL 46 CO 0.79 -0.52 0.06 -0.69 -0.31 0.00 0.00 175.10 174.43 2cr0 s VAL 47 N -2.30 0.86 -0.21 1.32 1.01 -0.39 -4.62 120.40 116.06 2cr0 s VAL 47 Ca 0.42 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2cr0 s VAL 47 Cb -0.10 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.81 2cr0 s VAL 47 CO 0.35 -0.48 -0.12 -0.69 0.00 0.00 0.00 175.10 174.16 2cr0 s VAL 48 N 1.66 1.82 -0.37 2.92 1.01 -1.26 -1.66 120.40 124.51 2cr0 s VAL 48 Ca 0.05 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 2cr0 s VAL 48 Cb -0.17 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.40 2cr0 s VAL 48 CO -0.18 0.17 0.17 -0.62 0.00 0.00 0.00 175.10 174.63 2cr0 s ASP 49 N 1.32 5.41 -0.19 3.32 2.15 -0.51 -4.96 116.67 123.20 2cr0 s ASP 49 Ca -0.02 -1.36 -0.12 0.00 0.43 0.00 0.00 52.55 51.48 2cr0 s ASP 49 Cb -0.17 -1.90 -0.05 0.00 -0.30 0.00 0.00 42.92 40.50 2cr0 s ASP 49 CO -0.08 -0.42 0.24 -0.63 -0.17 0.00 0.00 175.17 174.11 2cr0 s ILE 50 N 1.38 5.33 0.27 4.11 1.01 -1.26 -1.47 121.20 130.57 2cr0 s ILE 50 Ca 0.01 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.08 2cr0 s ILE 50 Cb -0.21 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2cr0 s ILE 50 CO 0.02 0.37 0.07 0.00 0.00 0.00 0.00 174.94 175.40 2cr0 n GLN 51 N 3.85 0.86 0.13 2.79 6.02 0.18 -5.00 117.38 126.21 2cr0 n GLN 51 Ca -0.13 -2.20 -0.14 0.00 -0.01 0.00 0.00 57.00 54.53 2cr0 n GLN 51 Cb 0.52 1.02 -0.08 0.00 1.02 0.00 0.00 30.24 32.72 2cr0 n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2cr0 h ARG 52 N 0.00 -0.30 -0.16 -1.09 9.65 -1.97 -3.34 114.38 117.17 2cr0 h ARG 52 Ca -0.22 0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.52 2cr0 h ARG 52 Cb 0.77 0.07 -0.23 0.00 -1.39 0.00 0.00 29.97 29.18 2cr0 h ARG 52 CO 0.35 -0.06 -0.79 -2.13 2.80 0.00 0.00 179.97 180.14 2cr0 n ARG 53 N -5.14 1.43 -3.71 0.20 0.63 -1.26 0.04 116.66 108.84 2cr0 n ARG 53 Ca -0.09 -3.06 -0.13 0.00 -0.92 0.00 0.00 57.85 53.65 2cr0 n ARG 53 Cb 0.20 -1.22 -0.09 0.00 0.45 0.00 0.00 32.46 31.80 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 -2.36 -0.54 -0.04 -0.14 2.46 -1.25 -1.93 115.29 111.49 2cr0 s HIS 54 Ca 0.38 1.31 -0.04 0.00 0.47 0.00 0.00 55.06 57.17 2cr0 s HIS 54 Cb 0.38 0.19 0.01 0.00 -0.13 0.00 0.00 32.58 33.03 2cr0 s HIS 54 CO -0.08 -0.26 0.11 -1.17 -2.47 0.00 0.00 174.74 170.87 2cr0 s LEU 55 N 0.31 1.58 0.01 8.88 2.96 -1.26 0.51 118.68 131.68 2cr0 s LEU 55 Ca -0.00 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2cr0 s LEU 55 Cb -0.04 0.42 -0.01 0.00 0.50 0.00 0.00 46.19 47.06 2cr0 s LEU 55 CO -0.00 -0.09 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.32 2cr0 s ARG 56 N -0.16 0.23 -0.07 1.98 3.52 -0.54 -3.82 118.95 120.09 2cr0 s ARG 56 Ca -0.02 -0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.08 2cr0 s ARG 56 Cb -0.02 0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.41 2cr0 s ARG 56 CO 0.00 -0.02 0.23 0.08 -0.81 0.00 0.00 175.30 174.79 2cr0 s VAL 57 N -0.93 0.02 -1.78 7.11 1.01 -0.61 -1.42 120.40 123.80 2cr0 s VAL 57 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2cr0 s VAL 57 Cb -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.93 2cr0 s VAL 57 CO -0.01 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.61 2cr0 n GLY 58 N 2.51 -0.70 2.93 4.51 0.00 -0.66 -0.51 105.19 113.27 2cr0 n GLY 58 Ca -0.15 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 1.78 0.13 0.99 1.43 -1.26 -1.27 118.68 120.48 2cr0 s LEU 59 Ca 0.00 -0.09 -0.32 0.00 -1.03 0.00 0.00 54.13 52.68 2cr0 s LEU 59 Cb 0.00 -0.30 -0.18 0.00 0.03 0.00 0.00 46.19 45.74 2cr0 s LEU 59 CO 0.00 0.02 0.72 1.17 0.23 0.00 0.00 176.35 178.49 2cr0 n LYS 60 N 3.29 0.00 0.00 1.70 4.81 0.19 -0.60 118.16 127.55 2cr0 n LYS 60 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2cr0 n LYS 60 Cb 0.56 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.43 2cr0 n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cr0 n GLY 61 N 1.81 1.27 3.80 3.14 0.00 -1.26 -4.92 105.19 109.02 2cr0 n GLY 61 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2cr0 n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cr0 s GLN 62 N 0.00 2.59 0.43 1.61 -0.21 0.23 -5.01 119.66 119.31 2cr0 s GLN 62 Ca 0.00 1.00 -0.24 0.00 0.02 0.00 0.00 55.36 56.14 2cr0 s GLN 62 Cb 0.00 -1.95 -0.08 0.00 1.00 0.00 0.00 33.01 31.98 2cr0 s GLN 62 CO 0.00 -1.36 1.17 -1.25 -2.12 0.00 0.00 175.29 171.74 2cr0 s PRO 63 N -5.00 3.89 -0.13 2.91 0.04 -1.26 -4.34 135.00 131.10 2cr0 s PRO 63 Ca 0.59 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 2cr0 s PRO 63 Cb -0.15 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2cr0 s PRO 63 CO 0.55 -0.46 1.55 -1.25 0.04 0.00 0.00 177.00 177.43 2cr0 s PRO 64 N -2.51 4.07 0.19 0.56 0.04 -1.26 -4.40 135.00 131.69 2cr0 s PRO 64 Ca 0.61 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 2cr0 s PRO 64 Cb -0.30 -3.95 0.12 0.00 0.04 0.00 0.00 34.50 30.41 2cr0 s PRO 64 CO 0.37 -0.95 1.81 0.28 0.04 0.00 0.00 177.00 178.55 2cr0 h VAL 65 N 5.73 1.21 -3.61 -0.36 2.07 -1.17 -3.39 116.25 116.73 2cr0 h VAL 65 Ca -0.34 -0.52 -0.67 0.00 0.82 0.00 0.00 66.70 65.98 2cr0 h VAL 65 Cb 1.15 0.30 -0.33 0.00 -1.52 0.00 0.00 31.29 30.89 2cr0 h VAL 65 CO 0.97 0.23 -0.75 -0.69 0.02 0.00 0.00 177.57 177.35 2cr0 s VAL 66 N -5.87 2.74 -0.23 2.57 1.01 -0.97 -5.00 120.40 114.64 2cr0 s VAL 66 Ca -0.13 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 60.60 2cr0 s VAL 66 Cb 0.14 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 34.16 2cr0 s VAL 66 CO 0.79 0.10 0.22 -0.62 0.00 0.00 0.00 175.10 175.59 2cr0 s ASP 67 N 1.27 1.78 -0.30 3.32 -1.08 -1.26 -1.58 116.67 118.82 2cr0 s ASP 67 Ca -0.02 -0.51 -0.29 0.00 -0.52 0.00 0.00 52.55 51.21 2cr0 s ASP 67 Cb -0.18 0.28 0.20 0.00 -1.46 0.00 0.00 42.92 41.76 2cr0 s ASP 67 CO -0.04 -0.36 1.40 -0.83 0.52 0.00 0.00 175.17 175.86 2cr0 s GLY 68 N 2.29 0.11 0.38 2.66 0.00 -1.25 -4.80 107.32 106.72 2cr0 s GLY 68 Ca 0.07 2.89 -0.27 0.00 0.00 0.00 0.00 44.72 47.41 2cr0 s GLY 68 CO -0.20 1.10 1.35 -2.21 0.00 0.00 0.00 173.10 173.14 2cr0 n GLU 69 N 0.48 2.25 -2.54 2.90 2.13 -1.26 -4.02 120.64 120.58 2cr0 n GLU 69 Ca 0.01 0.79 -0.40 0.00 0.66 0.00 0.00 57.16 58.22 2cr0 n GLU 69 Cb 0.59 -2.46 -0.05 0.00 0.27 0.00 0.00 31.44 29.79 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 -1.59 4.56 0.26 4.31 1.43 -0.81 -0.44 118.68 126.41 2cr0 s LEU 70 Ca 0.56 2.19 -0.02 0.00 -1.03 0.00 0.00 54.13 55.84 2cr0 s LEU 70 Cb -0.52 -3.64 0.55 0.00 0.03 0.00 0.00 46.19 42.60 2cr0 s LEU 70 CO 0.61 -0.09 1.71 0.22 0.23 0.00 0.00 176.35 179.03 2cr0 h TYR 71 N 3.84 0.49 -4.27 0.29 3.20 -1.75 -3.44 116.97 115.32 2cr0 h TYR 71 Ca -0.46 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.27 2cr0 h TYR 71 Cb 1.21 -0.09 -0.14 0.00 1.54 0.00 0.00 36.73 39.25 2cr0 h TYR 71 CO 0.59 -0.02 -0.49 1.21 -1.64 0.00 0.00 178.16 177.82 2cr0 s ASN 72 N -5.26 0.13 0.49 -2.11 2.47 -1.26 -5.07 114.94 104.32 2cr0 s ASN 72 Ca -0.12 -1.18 -0.23 0.00 0.42 0.00 0.00 52.86 51.75 2cr0 s ASN 72 Cb 0.22 0.40 -0.07 0.00 -1.45 0.00 0.00 41.25 40.36 2cr0 s ASN 72 CO 0.77 -0.87 1.32 -1.61 -3.72 0.00 0.00 177.10 172.98 2cr0 s GLU 73 N -4.07 3.51 -0.05 0.43 2.02 -1.26 -4.76 118.70 114.51 2cr0 s GLU 73 Ca 0.29 2.16 -0.01 0.00 0.02 0.00 0.00 54.97 57.43 2cr0 s GLU 73 Cb 0.05 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.86 2cr0 s GLU 73 CO 0.07 -0.87 0.00 0.14 0.02 0.00 0.00 175.26 174.62 2cr0 s VAL 74 N -1.33 0.30 -0.95 2.63 -7.23 0.11 -2.94 120.40 110.99 2cr0 s VAL 74 Ca 0.65 0.11 -0.16 0.00 -1.81 0.00 0.00 61.98 60.77 2cr0 s VAL 74 Cb -0.38 -0.43 -0.28 0.00 0.56 0.00 0.00 36.38 35.85 2cr0 s VAL 74 CO 0.47 0.22 2.30 1.17 -0.31 0.00 0.00 175.10 178.95 2cr0 n LYS 75 N 4.76 0.13 -0.06 4.82 4.81 0.28 -4.46 118.16 128.43 2cr0 n LYS 75 Ca -0.14 -0.12 -0.09 0.00 -0.87 0.00 0.00 58.31 57.09 2cr0 n LYS 75 Cb 0.50 -1.59 0.06 0.00 0.02 0.00 0.00 35.03 34.03 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 7.32 1.28 -0.10 3.15 3.04 -1.85 0.36 116.25 129.45 2cr0 h VAL 76 Ca 0.01 -1.51 0.03 0.00 -1.01 0.00 0.00 66.70 64.22 2cr0 h VAL 76 Cb 1.15 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2cr0 h VAL 76 CO 1.47 0.49 0.23 -0.33 -1.01 0.00 0.00 177.57 178.43 2cr0 h GLU 77 N 0.61 0.00 0.00 4.17 5.08 -1.95 -2.53 114.58 119.97 2cr0 h GLU 77 Ca 0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 2cr0 h GLU 77 Cb 0.88 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2cr0 h GLU 77 CO 0.08 0.00 -1.77 0.39 -1.00 0.00 0.00 179.01 176.71 2cr0 n GLU 78 N -3.30 0.96 -1.06 2.33 -0.58 -1.04 -5.03 120.64 112.92 2cr0 n GLU 78 Ca -0.00 0.05 -0.36 0.00 -0.42 0.00 0.00 57.16 56.43 2cr0 n GLU 78 Cb 0.32 -1.28 0.06 0.00 -0.57 0.00 0.00 31.44 29.97 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 -2.74 -3.79 -3.64 1.62 7.64 0.13 -4.96 113.62 107.89 2cr0 n SER 79 Ca -0.22 0.38 0.01 0.00 1.01 0.00 0.00 58.87 60.05 2cr0 n SER 79 Cb 0.79 -0.96 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.30 -0.08 0.16 6.43 0.01 -0.81 -4.95 113.70 113.16 2cr0 s SER 80 Ca 0.52 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.59 2cr0 s SER 80 Cb -0.28 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 2cr0 s SER 80 CO 0.71 -0.38 0.11 -1.66 0.41 0.00 0.00 173.24 172.44 2cr0 s TRP 81 N -2.54 0.90 0.17 2.43 1.48 -1.26 0.10 118.94 120.23 2cr0 s TRP 81 Ca 0.14 -1.23 -0.20 0.00 -1.06 0.00 0.00 56.10 53.75 2cr0 s TRP 81 Cb 0.04 -0.45 0.05 0.00 -1.16 0.00 0.00 33.47 31.94 2cr0 s TRP 81 CO -0.03 -0.58 0.56 -0.48 -4.06 0.00 0.00 176.95 172.35 2cr0 s LEU 82 N -3.07 -0.21 0.00 -4.66 0.05 0.69 -4.97 118.68 106.52 2cr0 s LEU 82 Ca 0.28 -0.23 -0.16 0.00 0.05 0.00 0.00 54.13 54.07 2cr0 s LEU 82 Cb 0.07 2.36 -0.06 0.00 -2.05 0.00 0.00 46.19 46.52 2cr0 s LEU 82 CO 0.05 -1.01 0.45 -0.63 -0.55 0.00 0.00 176.35 174.66 2cr0 s ILE 83 N -3.81 4.99 -0.31 1.48 1.01 -1.26 -0.57 121.20 122.74 2cr0 s ILE 83 Ca 0.04 0.92 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 2cr0 s ILE 83 Cb -0.01 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.75 2cr0 s ILE 83 CO -0.08 0.55 0.02 -1.61 0.00 0.00 0.00 174.94 173.81 2cr0 s GLU 84 N -0.91 2.45 -1.35 2.79 0.41 0.74 -4.58 118.70 118.25 2cr0 s GLU 84 Ca 0.25 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 2cr0 s GLU 84 Cb -0.17 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 2cr0 s GLU 84 CO 0.14 -0.63 0.00 -3.47 -0.49 0.00 0.00 175.26 170.81 2cr0 n ASP 85 N 4.65 -4.55 -1.98 -0.19 2.03 -1.26 -1.66 116.55 113.59 2cr0 n ASP 85 Ca -0.13 0.11 -0.11 0.00 0.52 0.00 0.00 54.79 55.18 2cr0 n ASP 85 Cb 0.43 -3.58 -0.02 0.00 -0.72 0.00 0.00 41.12 37.23 2cr0 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cr0 n GLY 86 N -1.07 0.16 0.51 0.27 0.00 -1.26 -4.65 105.19 99.15 2cr0 n GLY 86 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.35 0.00 -4.05 1.61 2.85 -1.04 -0.39 118.16 114.79 2cr0 n LYS 87 Ca -0.13 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.91 2cr0 n LYS 87 Cb 0.50 -0.55 -0.04 0.00 -0.65 0.00 0.00 35.03 34.30 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 -1.61 4.78 -0.33 0.58 1.01 -0.66 -2.67 120.40 121.49 2cr0 s VAL 88 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.79 2cr0 s VAL 88 Cb 0.00 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.91 2cr0 s VAL 88 CO 0.00 -0.32 0.09 -0.69 0.00 0.00 0.00 175.10 174.18 2cr0 s VAL 89 N -2.04 1.42 0.14 2.92 1.01 -1.14 -0.19 120.40 122.53 2cr0 s VAL 89 Ca 0.33 -1.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 2cr0 s VAL 89 Cb -0.09 -2.06 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 2cr0 s VAL 89 CO 0.26 -0.66 0.70 0.42 0.00 0.00 0.00 175.10 175.83 2cr0 s THR 90 N 1.29 4.51 -0.18 3.92 -4.23 0.27 -3.03 115.64 118.19 2cr0 s THR 90 Ca 0.11 1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 62.11 2cr0 s THR 90 Cb -0.18 -4.03 0.05 0.00 1.34 0.00 0.00 72.50 69.67 2cr0 s THR 90 CO -0.18 0.50 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.66 2cr0 s VAL 91 N -1.18 1.13 -0.18 2.29 1.01 -0.48 -0.22 120.40 122.77 2cr0 s VAL 91 Ca 0.34 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 2cr0 s VAL 91 Cb -0.21 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2cr0 s VAL 91 CO 0.23 0.05 0.78 -2.28 0.00 0.00 0.00 175.10 173.89 2cr0 s HIS 92 N 1.61 3.40 -0.23 5.22 2.46 0.28 -2.35 115.29 125.70 2cr0 s HIS 92 Ca -0.01 1.16 -0.03 0.00 0.47 0.00 0.00 55.06 56.66 2cr0 s HIS 92 Cb -0.16 -2.96 0.01 0.00 -0.13 0.00 0.00 32.58 29.34 2cr0 s HIS 92 CO -0.07 -0.23 -0.06 -0.51 -2.47 0.00 0.00 174.74 171.40 2cr0 s LEU 93 N 2.10 2.95 -0.24 8.88 1.43 -0.80 -1.93 118.68 131.08 2cr0 s LEU 93 Ca 0.36 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 2cr0 s LEU 93 Cb -0.16 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 2cr0 s LEU 93 CO 0.12 -0.07 0.85 -0.70 0.23 0.00 0.00 176.35 176.78 2cr0 s GLU 94 N 1.40 4.18 -0.20 1.70 2.56 -1.26 -0.24 118.70 126.85 2cr0 s GLU 94 Ca 0.04 0.97 -0.29 0.00 0.00 0.00 0.00 54.97 55.68 2cr0 s GLU 94 Cb -0.15 -3.65 -0.00 0.00 2.00 0.00 0.00 34.13 32.33 2cr0 s GLU 94 CO -0.05 -0.54 1.12 0.15 -0.56 0.00 0.00 175.26 175.39 2cr0 s LYS 95 N 2.89 4.26 0.30 4.30 1.02 -1.24 0.10 119.74 131.36 2cr0 s LYS 95 Ca 0.36 1.48 0.04 0.00 0.02 0.00 0.00 55.97 57.86 2cr0 s LYS 95 Cb -0.15 -3.68 0.76 0.00 -0.52 0.00 0.00 37.83 34.24 2cr0 s LYS 95 CO 0.07 -0.64 1.65 0.82 -0.92 0.00 0.00 175.35 176.34 2cr0 h ILE 96 N 5.44 0.33 -3.65 2.17 1.08 -1.87 -3.33 117.51 117.67 2cr0 h ILE 96 Ca -0.23 -0.08 -0.69 0.00 -0.39 0.00 0.00 64.86 63.47 2cr0 h ILE 96 Cb 1.08 0.06 -0.28 0.00 -3.07 0.00 0.00 36.82 34.61 2cr0 h ILE 96 CO 0.97 0.04 -0.62 0.20 -0.69 0.00 0.00 178.15 178.05 2cr0 s ASN 97 N -5.07 5.21 0.00 1.72 -0.87 -1.26 -4.94 114.94 109.73 2cr0 s ASN 97 Ca -0.12 -1.03 0.12 0.00 -1.57 0.00 0.00 52.86 50.27 2cr0 s ASN 97 Cb 0.26 -1.86 0.67 0.00 -0.02 0.00 0.00 41.25 40.31 2cr0 s ASN 97 CO 0.77 -0.28 1.27 0.29 -2.57 0.00 0.00 177.10 176.58 2cr0 n LYS 98 N 4.81 0.25 -1.19 -0.60 4.76 -1.25 -2.12 118.16 122.82 2cr0 n LYS 98 Ca -0.13 0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 2cr0 n LYS 98 Cb 0.45 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.28 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 -1.19 2.41 -4.29 1.97 2.81 -1.24 -4.01 117.12 113.58 2cr0 n MET 99 Ca 0.07 -3.55 -0.18 0.00 -1.81 0.00 0.00 57.70 52.22 2cr0 n MET 99 Cb 0.08 -1.95 -0.13 0.00 -0.71 0.00 0.00 33.22 30.51 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 -3.41 0.80 0.29 0.03 2.56 -0.90 -5.11 118.70 112.96 2cr0 s GLU 100 Ca 0.46 -0.66 0.07 0.00 0.00 0.00 0.00 54.97 54.84 2cr0 s GLU 100 Cb 0.41 -0.76 -0.03 0.00 2.00 0.00 0.00 34.13 35.74 2cr0 s GLU 100 CO -0.01 0.19 0.31 -1.58 -0.56 0.00 0.00 175.26 173.61 2cr0 s TRP 101 N -0.80 3.13 0.02 5.30 0.52 -1.26 -4.35 118.94 121.51 2cr0 s TRP 101 Ca -0.00 -0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.03 2cr0 s TRP 101 Cb -0.07 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 2cr0 s TRP 101 CO 0.01 0.30 -0.22 -1.58 0.02 0.00 0.00 176.95 175.48 2cr0 s TRP 102 N -2.15 2.44 -0.18 -1.98 0.52 -1.26 -5.02 118.94 111.31 2cr0 s TRP 102 Ca 0.38 -0.34 0.21 0.00 0.02 0.00 0.00 56.10 56.37 2cr0 s TRP 102 Cb -0.08 -1.46 -0.09 0.00 -1.15 0.00 0.00 33.47 30.69 2cr0 s TRP 102 CO 0.28 0.15 0.88 -1.71 0.02 0.00 0.00 176.95 176.56 2cr0 n ASN 103 N 1.87 0.72 -3.59 2.95 5.15 -1.26 -4.98 115.26 116.12 2cr0 n ASN 103 Ca -0.17 0.29 -0.04 0.00 -0.60 0.00 0.00 54.58 54.07 2cr0 n ASN 103 Cb 0.52 0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 40.32 2cr0 n ASN 103 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cr0 s ARG 104 N -3.23 0.32 0.06 1.20 1.70 -1.26 -2.57 118.95 115.17 2cr0 s ARG 104 Ca -0.02 -0.12 -0.36 0.00 -0.47 0.00 0.00 55.73 54.75 2cr0 s ARG 104 Cb 0.10 0.15 -0.20 0.00 -0.57 0.00 0.00 34.95 34.42 2cr0 s ARG 104 CO 0.81 -0.14 1.57 1.25 -1.08 0.00 0.00 175.30 177.71 2cr0 h LEU 105 N 2.00 -1.01 -8.28 -1.89 5.85 -1.92 -3.39 115.31 106.67 2cr0 h LEU 105 Ca -0.10 0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.32 2cr0 h LEU 105 Cb 1.17 0.26 -0.21 0.00 0.37 0.00 0.00 40.66 42.25 2cr0 h LEU 105 CO 0.23 -0.71 -0.75 0.68 -0.34 0.00 0.00 178.44 177.55 2cr0 s VAL 106 N -5.94 0.77 0.56 1.05 -7.23 -1.26 -3.61 120.40 104.74 2cr0 s VAL 106 Ca -0.19 -1.22 0.36 0.00 -1.81 0.00 0.00 61.98 59.13 2cr0 s VAL 106 Cb 0.02 -0.84 0.54 0.00 0.56 0.00 0.00 36.38 36.66 2cr0 s VAL 106 CO 0.60 -0.35 1.72 0.71 -0.31 0.00 0.00 175.10 177.47 2cr0 h THR 107 N 4.33 0.29 -0.08 5.32 1.35 -1.01 0.25 112.91 123.36 2cr0 h THR 107 Ca -0.38 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.47 2cr0 h THR 107 Cb 1.20 0.33 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2cr0 h THR 107 CO 0.42 0.00 -0.01 0.28 -0.25 0.00 0.00 175.52 175.96 2cr0 h SER 108 N 0.00 0.15 -4.13 5.36 0.02 -1.87 -3.45 113.55 109.64 2cr0 h SER 108 Ca 0.56 -0.33 -0.51 0.00 -0.84 0.00 0.00 61.79 60.67 2cr0 h SER 108 Cb 2.42 -0.04 0.20 0.00 0.14 0.00 0.00 62.40 65.12 2cr0 h SER 108 CO -0.01 0.45 0.20 -1.81 -1.14 0.00 0.00 176.83 174.52 2cr0 s ASP 109 N -5.69 2.69 0.80 3.07 1.01 0.87 -4.99 116.67 114.44 2cr0 s ASP 109 Ca -0.15 2.08 -0.11 0.00 0.71 0.00 0.00 52.55 55.09 2cr0 s ASP 109 Cb 0.04 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.52 2cr0 s ASP 109 CO 0.70 -3.23 1.09 -2.16 0.21 0.00 0.00 175.17 171.78 2cr0 s PRO 110 N -4.63 2.01 0.27 8.23 0.04 -1.26 -4.85 135.00 134.82 2cr0 s PRO 110 Ca 0.67 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 2cr0 s PRO 110 Cb -0.23 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2cr0 s PRO 110 CO 0.59 -1.79 0.48 -1.21 0.04 0.00 0.00 177.00 175.11 2cr0 s GLU 111 N -4.91 3.53 -0.05 4.56 8.01 -1.26 -4.67 118.70 123.91 2cr0 s GLU 111 Ca 0.62 -0.29 0.01 0.00 0.01 0.00 0.00 54.97 55.31 2cr0 s GLU 111 Cb -0.17 -2.74 0.02 0.00 -4.31 0.00 0.00 34.13 26.93 2cr0 s GLU 111 CO 0.56 0.27 -0.05 0.96 0.01 0.00 0.00 175.26 177.02 2cr0 s ILE 112 N -2.08 0.60 -0.36 -1.63 -4.36 -1.06 -4.99 121.20 107.32 2cr0 s ILE 112 Ca 0.40 -0.15 -0.41 0.00 -0.26 0.00 0.00 60.65 60.23 2cr0 s ILE 112 Cb -0.10 -0.62 -0.16 0.00 1.25 0.00 0.00 42.46 42.82 2cr0 s ILE 112 CO 0.32 0.24 1.84 -3.20 0.24 0.00 0.00 174.94 174.38 2cr0 n ASN 113 N 4.13 1.95 -4.82 4.36 2.85 -1.26 -4.84 115.26 117.62 2cr0 n ASN 113 Ca -0.23 0.95 -0.34 0.00 -0.11 0.00 0.00 54.58 54.85 2cr0 n ASN 113 Cb 0.51 -1.08 -0.07 0.00 1.24 0.00 0.00 39.78 40.38 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 4.32 5.01 -0.18 -0.44 -4.23 -1.26 -5.11 115.64 113.75 2cr0 s THR 114 Ca 1.04 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 61.22 2cr0 s THR 114 Cb -1.17 -3.26 0.06 0.00 1.34 0.00 0.00 72.50 69.46 2cr0 s THR 114 CO 0.66 0.43 0.47 -0.75 -0.54 0.00 0.00 174.62 174.89 2cr0 s LYS 115 N -1.54 0.49 -0.10 3.99 2.47 -1.26 -5.15 119.74 118.64 2cr0 s LYS 115 Ca 0.21 0.78 -0.04 0.00 -1.56 0.00 0.00 55.97 55.36 2cr0 s LYS 115 Cb -0.12 0.12 0.05 0.00 -1.46 0.00 0.00 37.83 36.42 2cr0 s LYS 115 CO 0.12 -0.12 0.21 -1.54 0.16 0.00 0.00 175.35 174.18 2cr0 s SER 116 N 0.94 0.52 -0.52 1.43 1.04 -1.26 -5.10 113.70 110.74 2cr0 s SER 116 Ca -0.06 0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.86 2cr0 s SER 116 Cb -0.06 0.46 0.13 0.00 0.10 0.00 0.00 66.02 66.66 2cr0 s SER 116 CO -0.08 -0.24 0.28 -0.83 0.98 0.00 0.00 173.24 173.35 2cr0 s GLY 117 N 2.28 2.38 -0.45 7.32 0.00 -1.26 -5.07 107.32 112.52 2cr0 s GLY 117 Ca 0.02 -3.23 -0.28 0.00 0.00 0.00 0.00 44.72 41.23 2cr0 s GLY 117 CO -0.07 1.09 1.76 2.56 0.00 0.00 0.00 173.10 178.45 2cr0 s PRO 118 N -0.31 3.10 -0.01 2.90 0.04 -1.26 -4.93 135.00 134.53 2cr0 s PRO 118 Ca 0.18 1.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 2cr0 s PRO 118 Cb -0.24 -4.25 0.10 0.00 0.04 0.00 0.00 34.50 30.16 2cr0 s PRO 118 CO -0.01 -2.15 0.85 -1.54 0.04 0.00 0.00 177.00 174.19 2cr0 s SER 119 N 6.54 -0.41 0.08 6.66 1.04 -1.26 -5.18 113.70 121.18 2cr0 s SER 119 Ca 0.72 0.09 0.06 0.00 0.48 0.00 0.00 55.95 57.30 2cr0 s SER 119 Cb -0.17 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2cr0 s SER 119 CO 0.28 -0.63 -0.08 -0.55 0.98 0.00 0.00 173.24 173.24 2cr0 s SER 120 N -2.27 4.51 0.00 7.02 0.15 -1.26 -5.32 113.70 116.53 2cr0 s SER 120 Ca 0.03 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2cr0 s SER 120 Cb -0.01 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 2cr0 s SER 120 CO -0.07 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.18