#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0n s GLY 2 N 0.00 1.45 0.19 3.03 0.00 -1.26 -4.94 107.32 105.79 2i0n s GLY 2 Ca 0.00 1.35 -0.30 0.00 0.00 0.00 0.00 44.72 45.77 2i0n s GLY 2 CO 0.00 2.96 1.17 2.56 0.00 0.00 0.00 173.10 179.79 2i0n s PRO 3 N 2.41 4.52 0.49 2.90 0.04 -1.26 -4.92 135.00 139.19 2i0n s PRO 3 Ca 0.76 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.80 2i0n s PRO 3 Cb -0.43 -3.25 1.19 0.00 0.04 0.00 0.00 34.50 32.05 2i0n s PRO 3 CO 0.34 -0.04 2.08 -0.07 0.04 0.00 0.00 177.00 179.35 2i0n h LEU 4 N 5.14 0.00 0.00 -3.56 3.38 -2.10 -3.46 115.31 114.71 2i0n h LEU 4 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2i0n h LEU 4 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2i0n h LEU 4 CO 0.74 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.97 2i0n n GLY 5 N -1.25 3.00 3.29 0.83 0.00 -1.26 -5.17 105.19 104.64 2i0n n GLY 5 Ca -0.03 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 2i0n n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i0n s SER 6 N 2.00 2.59 -0.75 1.61 0.01 -1.26 -5.07 113.70 112.84 2i0n s SER 6 Ca 0.00 -0.66 -0.26 0.00 1.31 0.00 0.00 55.95 56.34 2i0n s SER 6 Cb 0.00 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2i0n s SER 6 CO 0.00 0.09 1.70 -2.16 0.41 0.00 0.00 173.24 173.28 2i0n s PRO 7 N -1.80 2.84 -0.99 12.44 0.04 -1.26 -4.89 135.00 141.38 2i0n s PRO 7 Ca 0.07 0.04 -0.21 0.00 0.04 0.00 0.00 61.00 60.94 2i0n s PRO 7 Cb -0.10 -4.59 -0.10 0.00 0.04 0.00 0.00 34.50 29.75 2i0n s PRO 7 CO 0.04 -2.68 1.95 -1.91 0.04 0.00 0.00 177.00 174.44 2i0n n GLU 8 N 9.13 1.82 -1.59 4.56 4.07 -1.26 -4.92 120.64 132.44 2i0n n GLU 8 Ca 0.22 -2.20 -0.49 0.00 -0.06 0.00 0.00 57.16 54.63 2i0n n GLU 8 Cb 0.50 -3.20 -0.04 0.00 -0.06 0.00 0.00 31.44 28.64 2i0n n GLU 8 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2i0n n PHE 9 N 9.04 1.46 0.00 4.31 -1.74 -1.26 -4.94 117.46 124.34 2i0n n PHE 9 Ca 0.49 0.63 0.00 0.00 -0.56 0.00 0.00 57.45 58.01 2i0n n PHE 9 Cb 0.42 -2.32 0.00 0.00 1.52 0.00 0.00 39.48 39.10 2i0n n PHE 9 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2i0n n ALA 10 N 1.85 0.00 -1.61 1.98 0.00 -1.26 -5.06 120.51 116.41 2i0n n ALA 10 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 2i0n n ALA 10 Cb 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 2i0n n ALA 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2i0n s LYS 11 N 0.00 1.69 0.41 0.00 -2.85 -1.26 -4.80 119.74 112.92 2i0n s LYS 11 Ca 0.00 0.47 -0.05 0.00 -1.00 0.00 0.00 55.97 55.39 2i0n s LYS 11 Cb 0.00 -4.79 0.08 0.00 -2.06 0.00 0.00 37.83 31.06 2i0n s LYS 11 CO 0.00 -4.33 0.19 0.66 0.10 0.00 0.00 175.35 171.97 2i0n n TYR 12 N 18.23 -1.72 -3.69 1.78 4.01 -0.44 -4.36 117.16 130.96 2i0n n TYR 12 Ca 0.46 -0.06 -0.12 0.00 -0.16 0.00 0.00 57.90 58.02 2i0n n TYR 12 Cb 0.44 -0.52 -0.07 0.00 -0.31 0.00 0.00 39.34 38.89 2i0n n TYR 12 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2i0n s ALA 13 N -2.02 -0.90 -0.20 -0.72 0.00 -1.09 0.46 121.76 117.30 2i0n s ALA 13 Ca 0.15 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2i0n s ALA 13 Cb -0.03 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.48 2i0n s ALA 13 CO 0.12 -0.44 -0.13 0.50 0.00 0.00 0.00 175.76 175.81 2i0n s ARG 14 N -2.52 2.27 -0.16 0.00 6.06 -0.79 0.16 118.95 123.97 2i0n s ARG 14 Ca -0.05 -0.88 -0.36 0.00 -2.50 0.00 0.00 55.73 51.94 2i0n s ARG 14 Cb -0.01 -2.48 -0.13 0.00 0.06 0.00 0.00 34.95 32.40 2i0n s ARG 14 CO -0.03 -0.39 1.84 0.00 -2.50 0.00 0.00 175.30 174.23 2i0n n ALA 15 N 4.65 0.51 0.92 6.12 0.00 0.51 0.08 120.51 133.29 2i0n n ALA 15 Ca -0.16 0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.72 2i0n n ALA 15 Cb 0.47 -2.41 0.43 0.00 0.00 0.00 0.00 19.45 17.95 2i0n n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i0n n LEU 16 N 6.28 0.32 -3.97 0.00 7.99 -0.51 -1.34 117.00 125.77 2i0n n LEU 16 Ca 0.24 0.32 -0.11 0.00 -0.01 0.00 0.00 56.01 56.46 2i0n n LEU 16 Cb 0.24 -0.37 -0.02 0.00 -0.11 0.00 0.00 43.42 43.15 2i0n n LEU 16 CO 0.76 0.01 0.29 -1.59 -1.51 0.00 0.00 177.39 175.35 2i0n s LYS 17 N -3.03 1.89 0.26 3.23 -2.85 -1.25 -4.42 119.74 113.57 2i0n s LYS 17 Ca 0.12 -1.46 -0.29 0.00 -1.00 0.00 0.00 55.97 53.33 2i0n s LYS 17 Cb 0.17 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.37 2i0n s LYS 17 CO 0.61 -0.82 0.96 0.16 0.10 0.00 0.00 175.35 176.35 2i0n s ASP 18 N -3.10 7.56 0.07 0.03 1.47 -1.26 -3.41 116.67 118.01 2i0n s ASP 18 Ca 0.22 1.96 0.07 0.00 1.18 0.00 0.00 52.55 55.98 2i0n s ASP 18 Cb -0.02 -2.61 -0.03 0.00 -0.34 0.00 0.00 42.92 39.92 2i0n s ASP 18 CO 0.14 0.09 -0.18 -0.47 0.68 0.00 0.00 175.17 175.43 2i0n s TYR 19 N -1.25 1.55 -0.04 2.11 5.04 -0.52 -4.91 117.35 119.33 2i0n s TYR 19 Ca 0.43 -0.40 -0.02 0.00 -2.44 0.00 0.00 57.07 54.64 2i0n s TYR 19 Cb -0.25 -0.89 0.03 0.00 0.35 0.00 0.00 41.96 41.20 2i0n s TYR 19 CO 0.32 0.11 0.07 1.21 -1.34 0.00 0.00 175.55 175.92 2i0n s ASN 20 N -1.51 0.60 -0.29 4.32 2.47 -1.26 -2.64 114.94 116.62 2i0n s ASN 20 Ca 0.04 0.13 0.03 0.00 0.42 0.00 0.00 52.86 53.48 2i0n s ASN 20 Cb -0.09 -0.02 0.20 0.00 -1.45 0.00 0.00 41.25 39.88 2i0n s ASN 20 CO 0.03 -0.20 0.60 0.68 -3.72 0.00 0.00 177.10 174.49 2i0n s VAL 21 N 1.73 -0.99 -0.89 -5.21 -7.23 -1.26 -5.02 120.40 101.53 2i0n s VAL 21 Ca -0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 2i0n s VAL 21 Cb -0.12 -0.99 0.22 0.00 0.56 0.00 0.00 36.38 36.04 2i0n s VAL 21 CO -0.04 0.00 0.78 -0.55 -0.31 0.00 0.00 175.10 174.98 2i0n s SER 22 N 2.84 6.10 0.00 4.85 0.15 -1.26 -4.52 113.70 121.86 2i0n s SER 22 Ca 0.15 -3.57 0.00 0.00 0.70 0.00 0.00 55.95 53.22 2i0n s SER 22 Cb -0.12 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2i0n s SER 22 CO -0.24 -0.23 0.00 0.47 1.20 0.00 0.00 173.24 174.44 2i0n n ASP 23 N 2.56 0.00 0.04 5.45 8.00 -1.26 -5.08 116.55 126.26 2i0n n ASP 23 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2i0n n ASP 23 Cb 0.38 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2i0n n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2i0n n THR 24 N -1.95 0.00 -2.21 -3.53 -2.24 -1.26 -4.95 114.28 98.13 2i0n n THR 24 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2i0n n THR 24 Cb 0.00 -0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 2i0n n THR 24 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2i0n n SER 25 N -2.66 4.92 -4.88 3.42 2.88 -1.26 -5.04 113.62 110.99 2i0n n SER 25 Ca 0.00 -3.74 -0.29 0.00 -1.33 0.00 0.00 58.87 53.51 2i0n n SER 25 Cb 0.00 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.00 2i0n n SER 25 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2i0n s LEU 26 N -3.58 4.16 -0.48 2.46 2.01 -1.26 -2.46 118.68 119.52 2i0n s LEU 26 Ca 0.50 0.13 0.03 0.00 0.01 0.00 0.00 54.13 54.80 2i0n s LEU 26 Cb 0.41 -2.77 0.13 0.00 0.01 0.00 0.00 46.19 43.97 2i0n s LEU 26 CO -0.07 0.13 0.25 -0.22 1.01 0.00 0.00 176.35 177.45 2i0n s LEU 27 N -2.74 3.57 0.50 1.79 0.20 -1.17 -4.36 118.68 116.47 2i0n s LEU 27 Ca 0.33 -2.83 -0.20 0.00 0.69 0.00 0.00 54.13 52.12 2i0n s LEU 27 Cb -0.12 -1.36 -0.08 0.00 -0.43 0.00 0.00 46.19 44.20 2i0n s LEU 27 CO 0.26 -0.25 1.04 -2.16 -0.29 0.00 0.00 176.35 174.95 2i0n s PRO 28 N 0.01 3.75 0.36 0.98 0.04 -1.26 -4.67 135.00 134.21 2i0n s PRO 28 Ca 0.17 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 2i0n s PRO 28 Cb -0.25 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.26 2i0n s PRO 28 CO 0.00 -0.47 0.82 -0.59 0.04 0.00 0.00 177.00 176.80 2i0n s PHE 29 N -2.05 0.11 0.36 0.56 -0.12 -1.08 -4.99 117.98 110.77 2i0n s PHE 29 Ca 0.67 -0.76 0.08 0.00 -0.05 0.00 0.00 56.93 56.86 2i0n s PHE 29 Cb -0.16 0.83 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 2i0n s PHE 29 CO 0.22 -1.50 0.21 0.21 -0.05 0.00 0.00 175.22 174.30 2i0n s LYS 30 N -2.29 2.43 1.10 1.99 2.20 -1.26 -1.44 119.74 122.46 2i0n s LYS 30 Ca 0.16 -1.55 -0.17 0.00 -0.36 0.00 0.00 55.97 54.05 2i0n s LYS 30 Cb -0.05 -2.22 0.18 0.00 -1.51 0.00 0.00 37.83 34.22 2i0n s LYS 30 CO 0.11 0.03 0.28 -2.13 -0.36 0.00 0.00 175.35 173.27 2i0n n ARG 31 N -1.26 -2.37 -3.83 4.03 0.00 -1.22 -3.38 116.66 108.63 2i0n n ARG 31 Ca -0.02 -0.70 -0.25 0.00 -0.00 0.00 0.00 57.85 56.89 2i0n n ARG 31 Cb 0.62 -1.60 -0.05 0.00 0.00 0.00 0.00 32.46 31.43 2i0n n ARG 31 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2i0n n ASN 32 N -1.93 -0.36 -4.25 6.15 6.94 -0.45 -4.88 115.26 116.48 2i0n n ASN 32 Ca 0.05 -0.90 -0.21 0.00 -0.02 0.00 0.00 54.58 53.50 2i0n n ASN 32 Cb 0.47 -1.10 -0.12 0.00 -2.36 0.00 0.00 39.78 36.67 2i0n n ASN 32 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2i0n s ASP 33 N -3.97 2.25 0.49 0.53 2.15 -1.11 -4.72 116.67 112.30 2i0n s ASP 33 Ca 0.10 -0.71 -0.06 0.00 0.43 0.00 0.00 52.55 52.32 2i0n s ASP 33 Cb -0.06 -0.11 -0.04 0.00 -0.30 0.00 0.00 42.92 42.42 2i0n s ASP 33 CO 0.69 -0.02 0.81 -0.63 -0.17 0.00 0.00 175.17 175.86 2i0n s ILE 34 N -1.43 4.89 -0.26 4.11 -1.09 -1.26 0.19 121.20 126.35 2i0n s ILE 34 Ca 0.06 0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 58.72 2i0n s ILE 34 Cb -0.09 -3.86 0.09 0.00 -1.58 0.00 0.00 42.46 37.02 2i0n s ILE 34 CO 0.04 -0.88 0.11 -0.63 -1.23 0.00 0.00 174.94 172.35 2i0n s ILE 35 N -2.78 0.17 -0.87 2.92 1.01 0.43 -4.68 121.20 117.38 2i0n s ILE 35 Ca 0.48 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 2i0n s ILE 35 Cb -0.10 -1.03 -0.13 0.00 0.01 0.00 0.00 42.46 41.20 2i0n s ILE 35 CO 0.46 -0.58 2.26 -0.89 0.00 0.00 0.00 174.94 176.19 2i0n s THR 36 N 1.99 3.12 -0.19 2.92 2.01 -0.80 -2.66 115.64 122.04 2i0n s THR 36 Ca 0.07 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2i0n s THR 36 Cb -0.16 -3.42 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2i0n s THR 36 CO -0.26 -0.24 2.16 -0.38 -0.69 0.00 0.00 174.62 175.21 2i0n n ILE 37 N 8.62 0.40 -0.01 1.82 5.41 -1.26 0.39 119.36 134.73 2i0n n ILE 37 Ca 0.45 -0.36 0.01 0.00 1.00 0.00 0.00 62.75 63.84 2i0n n ILE 37 Cb 0.45 -2.35 -0.12 0.00 -0.71 0.00 0.00 39.64 36.91 2i0n n ILE 37 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2i0n n THR 38 N 7.18 0.92 -3.19 1.39 -2.24 0.24 -4.86 114.28 113.72 2i0n n THR 38 Ca 0.30 -0.68 0.01 0.00 -2.27 0.00 0.00 64.05 61.41 2i0n n THR 38 Cb 0.40 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 2i0n n THR 38 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2i0n s PHE 39 N -2.98 -1.55 1.22 4.78 5.36 -0.71 -5.04 117.98 119.05 2i0n s PHE 39 Ca -0.06 1.23 -0.20 0.00 -0.96 0.00 0.00 56.93 56.94 2i0n s PHE 39 Cb 0.09 0.33 0.31 0.00 -0.34 0.00 0.00 43.02 43.42 2i0n s PHE 39 CO 0.84 -0.95 0.86 1.63 -1.46 0.00 0.00 175.22 176.14 2i0n n LYS 40 N 5.41 -3.84 -3.31 10.12 4.01 -1.26 -2.60 118.16 126.69 2i0n n LYS 40 Ca 0.01 -1.42 -0.15 0.00 -0.51 0.00 0.00 58.31 56.24 2i0n n LYS 40 Cb 0.52 -1.59 -0.04 0.00 -0.51 0.00 0.00 35.03 33.41 2i0n n LYS 40 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2i0n n ASP 41 N -5.15 1.87 -0.41 4.39 8.00 -1.26 -4.75 116.55 119.25 2i0n n ASP 41 Ca 0.13 -2.14 0.07 0.00 0.71 0.00 0.00 54.79 53.56 2i0n n ASP 41 Cb 0.53 0.37 0.13 0.00 -0.02 0.00 0.00 41.12 42.13 2i0n n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i0n n GLN 42 N -0.56 1.10 0.00 -1.24 6.02 -1.26 -4.67 117.38 116.76 2i0n n GLN 42 Ca -0.07 -2.54 0.00 0.00 -0.01 0.00 0.00 57.00 54.38 2i0n n GLN 42 Cb 0.32 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2i0n n GLN 42 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2i0n n GLU 43 N -0.99 0.11 -2.18 -1.09 1.02 -1.26 -5.00 120.64 111.25 2i0n n GLU 43 Ca 0.14 -0.41 -0.13 0.00 -0.02 0.00 0.00 57.16 56.74 2i0n n GLU 43 Cb 0.71 -0.69 -0.02 0.00 -0.02 0.00 0.00 31.44 31.42 2i0n n GLU 43 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2i0n n ASN 44 N -0.06 -3.99 0.02 1.62 4.13 -1.26 -4.78 115.26 110.94 2i0n n ASN 44 Ca 0.00 0.21 -0.02 0.00 1.68 0.00 0.00 54.58 56.45 2i0n n ASN 44 Cb 0.24 -3.45 -0.01 0.00 -1.54 0.00 0.00 39.78 35.02 2i0n n ASN 44 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2i0n n LYS 45 N -2.60 0.11 -4.11 3.52 4.76 -1.26 -4.64 118.16 113.93 2i0n n LYS 45 Ca -0.15 0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.11 2i0n n LYS 45 Cb 0.58 -0.67 -0.04 0.00 -1.84 0.00 0.00 35.03 33.05 2i0n n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2i0n s TRP 46 N -2.14 3.09 -0.04 2.13 0.52 -1.26 -0.64 118.94 120.60 2i0n s TRP 46 Ca -0.06 -0.12 -0.02 0.00 0.02 0.00 0.00 56.10 55.92 2i0n s TRP 46 Cb 0.01 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.94 2i0n s TRP 46 CO 0.09 0.51 0.08 -0.06 0.02 0.00 0.00 176.95 177.60 2i0n s PHE 47 N -2.15 -0.08 -0.55 -1.98 0.08 -0.80 -4.42 117.98 108.09 2i0n s PHE 47 Ca 0.33 0.26 -0.18 0.00 0.12 0.00 0.00 56.93 57.45 2i0n s PHE 47 Cb -0.08 -0.04 0.09 0.00 -0.57 0.00 0.00 43.02 42.42 2i0n s PHE 47 CO 0.25 -0.08 0.63 1.41 -0.10 0.00 0.00 175.22 177.33 2i0n s MET 48 N 0.45 3.06 0.49 0.44 1.75 -1.07 -2.40 119.30 122.01 2i0n s MET 48 Ca -0.03 -1.21 0.03 0.00 -1.25 0.00 0.00 55.69 53.23 2i0n s MET 48 Cb -0.05 -4.20 -0.03 0.00 2.84 0.00 0.00 34.83 33.40 2i0n s MET 48 CO -0.02 -1.36 0.03 0.20 -0.65 0.00 0.00 175.02 173.23 2i0n s GLY 49 N 3.19 2.85 -0.00 2.11 0.00 -1.05 -0.59 107.32 113.83 2i0n s GLY 49 Ca 0.11 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 2i0n s GLY 49 CO 0.08 -2.15 0.01 1.62 0.00 0.00 0.00 173.10 172.65 2i0n s GLN 50 N -3.87 -0.00 0.00 2.90 0.74 0.16 -1.55 119.66 118.05 2i0n s GLN 50 Ca 0.15 0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.59 2i0n s GLN 50 Cb 0.03 -0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.11 2i0n s GLN 50 CO 0.08 -0.03 0.00 -0.11 -0.55 0.00 0.00 175.29 174.68 2i0n n LEU 51 N 3.25 0.00 -4.54 3.68 7.94 0.13 -1.90 117.00 125.56 2i0n n LEU 51 Ca -0.14 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.60 2i0n n LEU 51 Cb 0.58 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.41 2i0n n LEU 51 CO 0.25 0.00 1.48 0.59 -1.11 0.00 0.00 177.39 178.60 2i0n n ASN 52 N 0.00 0.77 -3.65 1.96 3.02 -1.26 -2.62 115.26 113.48 2i0n n ASN 52 Ca 0.00 -1.22 -0.23 0.00 -0.03 0.00 0.00 54.58 53.10 2i0n n ASN 52 Cb 0.00 -1.31 0.04 0.00 -0.61 0.00 0.00 39.78 37.90 2i0n n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i0n n GLY 53 N 6.39 -0.54 3.35 7.41 0.00 -1.26 -4.98 105.19 115.56 2i0n n GLY 53 Ca 0.53 0.25 0.02 0.00 0.00 0.00 0.00 46.02 46.82 2i0n n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i0n s LYS 54 N -5.80 0.51 -0.35 1.61 -0.14 -1.08 -5.13 119.74 109.38 2i0n s LYS 54 Ca 0.15 1.09 -0.11 0.00 -1.36 0.00 0.00 55.97 55.75 2i0n s LYS 54 Cb -0.04 0.63 0.01 0.00 -1.68 0.00 0.00 37.83 36.75 2i0n s LYS 54 CO 0.81 -0.38 0.19 -2.00 -0.76 0.00 0.00 175.35 173.21 2i0n s GLU 55 N 2.84 3.05 0.00 1.68 2.12 -1.26 0.18 118.70 127.31 2i0n s GLU 55 Ca 0.07 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.48 2i0n s GLU 55 Cb -0.13 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.59 2i0n s GLU 55 CO -0.19 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 2i0n n GLY 56 N 5.00 5.39 3.31 -1.50 0.00 -0.59 -4.60 105.19 112.19 2i0n n GLY 56 Ca -0.13 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 2i0n n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i0n s SER 57 N 1.00 1.16 -0.29 1.61 0.01 -1.03 -2.53 113.70 113.64 2i0n s SER 57 Ca 0.00 -1.45 -0.24 0.00 1.31 0.00 0.00 55.95 55.57 2i0n s SER 57 Cb 0.00 0.27 0.15 0.00 0.21 0.00 0.00 66.02 66.65 2i0n s SER 57 CO 0.00 -0.80 1.19 0.72 0.41 0.00 0.00 173.24 174.76 2i0n s PHE 58 N -3.76 -0.31 0.59 2.43 -0.12 -1.01 -3.04 117.98 112.77 2i0n s PHE 58 Ca 0.37 0.74 -0.18 0.00 -0.05 0.00 0.00 56.93 57.81 2i0n s PHE 58 Cb 0.07 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 2i0n s PHE 58 CO 0.15 -0.15 1.18 -1.25 -0.05 0.00 0.00 175.22 175.09 2i0n s PRO 59 N 0.27 3.02 0.00 1.99 0.04 -1.26 -1.90 135.00 137.16 2i0n s PRO 59 Ca 0.03 1.72 0.11 0.00 0.04 0.00 0.00 61.00 62.91 2i0n s PRO 59 Cb -0.05 -1.95 0.53 0.00 0.04 0.00 0.00 34.50 33.08 2i0n s PRO 59 CO -0.11 -1.14 1.32 0.28 0.04 0.00 0.00 177.00 177.39 2i0n n VAL 60 N -1.65 0.98 0.26 -0.36 0.31 0.18 -2.86 118.33 115.20 2i0n n VAL 60 Ca 0.13 0.25 0.07 0.00 -0.01 0.00 0.00 64.34 64.77 2i0n n VAL 60 Cb 0.50 -1.05 0.33 0.00 -0.91 0.00 0.00 33.84 32.71 2i0n n VAL 60 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2i0n n ASP 61 N -1.40 0.28 -2.74 4.52 2.03 -1.26 -3.59 116.55 114.39 2i0n n ASP 61 Ca 0.04 0.60 -0.09 0.00 0.52 0.00 0.00 54.79 55.86 2i0n n ASP 61 Cb 0.11 -0.65 0.06 0.00 -0.72 0.00 0.00 41.12 39.93 2i0n n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i0n n HIS 62 N -1.85 -0.56 -3.66 -0.67 1.44 -1.13 -4.92 115.22 103.87 2i0n n HIS 62 Ca 0.01 -2.55 -0.11 0.00 -2.01 0.00 0.00 57.72 53.06 2i0n n HIS 62 Cb 0.10 0.48 -0.08 0.00 0.12 0.00 0.00 29.99 30.61 2i0n n HIS 62 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2i0n s VAL 63 N -1.60 -0.00 0.40 0.61 -7.23 -1.24 -1.43 120.40 109.91 2i0n s VAL 63 Ca 0.26 0.02 0.06 0.00 -1.81 0.00 0.00 61.98 60.51 2i0n s VAL 63 Cb 0.41 -0.85 0.07 0.00 0.56 0.00 0.00 36.38 36.57 2i0n s VAL 63 CO -0.03 0.01 0.56 1.21 -0.31 0.00 0.00 175.10 176.54 2i0n n GLU 64 N 3.45 0.71 -4.21 4.82 2.13 0.11 -4.80 120.64 122.85 2i0n n GLU 64 Ca -0.17 -2.15 -0.25 0.00 0.66 0.00 0.00 57.16 55.24 2i0n n GLU 64 Cb 0.57 -0.18 -0.17 0.00 0.27 0.00 0.00 31.44 31.93 2i0n n GLU 64 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2i0n s ILE 65 N -1.51 1.04 -0.47 6.31 -1.09 -1.26 -1.89 121.20 122.34 2i0n s ILE 65 Ca 0.42 -0.36 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 2i0n s ILE 65 Cb -0.03 -1.02 0.10 0.00 -1.58 0.00 0.00 42.46 39.94 2i0n s ILE 65 CO 0.27 0.35 0.37 -0.76 -1.23 0.00 0.00 174.94 173.94 2i0n s LEU 66 N 1.22 5.66 0.26 2.97 1.43 0.17 -4.89 118.68 125.51 2i0n s LEU 66 Ca -0.04 -1.70 0.24 0.00 -1.03 0.00 0.00 54.13 51.60 2i0n s LEU 66 Cb -0.14 -2.07 0.50 0.00 0.03 0.00 0.00 46.19 44.51 2i0n s LEU 66 CO -0.03 -0.69 1.57 0.25 0.23 0.00 0.00 176.35 177.68 2i0n h LEU 67 N 8.58 0.00 -2.33 1.79 6.46 -1.87 -1.16 115.31 126.78 2i0n h LEU 67 Ca -0.25 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2i0n h LEU 67 Cb 1.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2i0n h LEU 67 CO 0.88 0.02 0.03 0.28 -0.62 0.00 0.00 178.44 179.03 2i0n h SER 68 N 0.00 0.00 -3.36 1.25 0.02 -1.95 -3.45 113.55 106.05 2i0n h SER 68 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 2i0n h SER 68 Cb 0.84 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.39 2i0n h SER 68 CO 0.00 0.00 -0.54 -0.67 -1.14 0.00 0.00 176.83 174.48 2i0n n ASP 69 N -2.75 -5.79 -4.17 3.07 -0.08 -1.23 -4.98 116.55 100.61 2i0n n ASP 69 Ca -0.02 -0.11 -0.24 0.00 -1.51 0.00 0.00 54.79 52.90 2i0n n ASP 69 Cb 0.08 -4.74 -0.15 0.00 2.34 0.00 0.00 41.12 38.65 2i0n n ASP 69 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2i0n s VAL 70 N -3.05 1.36 -0.35 5.18 -7.23 -1.26 -5.09 120.40 109.96 2i0n s VAL 70 Ca 0.11 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 2i0n s VAL 70 Cb -0.05 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.75 2i0n s VAL 70 CO 0.13 0.36 1.41 -2.16 -0.31 0.00 0.00 175.10 174.54 2i0n s PRO 71 N -0.47 3.70 0.92 4.82 0.04 -1.26 -5.01 135.00 137.75 2i0n s PRO 71 Ca 0.06 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.12 2i0n s PRO 71 Cb -0.07 -3.98 0.14 0.00 0.04 0.00 0.00 34.50 30.63 2i0n s PRO 71 CO -0.00 -1.40 1.17 -1.25 0.04 0.00 0.00 177.00 175.56 2i0n s PRO 72 N 4.68 1.07 -0.77 0.56 0.04 -1.26 -4.93 135.00 134.39 2i0n s PRO 72 Ca 0.62 0.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.54 2i0n s PRO 72 Cb -0.16 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2i0n s PRO 72 CO 0.29 -2.21 1.71 -1.25 0.04 0.00 0.00 177.00 175.57 2i0n s PRO 73 N -5.43 2.85 0.18 0.56 0.04 -1.26 -4.97 135.00 126.98 2i0n s PRO 73 Ca 0.65 -0.04 0.07 0.00 0.04 0.00 0.00 61.00 61.73 2i0n s PRO 73 Cb -0.12 -4.66 -0.04 0.00 0.04 0.00 0.00 34.50 29.72 2i0n s PRO 73 CO 0.53 -2.71 0.01 1.14 0.04 0.00 0.00 177.00 176.01 2i0n s GLN 74 N 6.49 2.44 0.03 4.56 -2.07 -1.26 -5.08 119.66 124.77 2i0n s GLN 74 Ca 0.58 -1.11 -0.30 0.00 -1.82 0.00 0.00 55.36 52.71 2i0n s GLN 74 Cb -0.08 -2.37 -0.05 0.00 -1.09 0.00 0.00 33.01 29.42 2i0n s GLN 74 CO 0.10 0.45 1.26 -1.25 -1.32 0.00 0.00 175.29 174.52 2i0n s PRO 75 N -3.04 4.37 -0.19 9.60 0.04 -1.26 -5.01 135.00 139.51 2i0n s PRO 75 Ca 0.28 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 2i0n s PRO 75 Cb -0.09 -3.42 0.08 0.00 0.04 0.00 0.00 34.50 31.11 2i0n s PRO 75 CO 0.19 -0.38 0.18 0.08 0.04 0.00 0.00 177.00 177.12 2i0n s VAL 76 N 1.55 -0.25 0.37 -0.36 1.01 -1.26 -5.06 120.40 116.40 2i0n s VAL 76 Ca 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2i0n s VAL 76 Cb -0.30 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2i0n s VAL 76 CO 0.27 -0.22 0.00 1.57 0.00 0.00 0.00 175.10 176.73 2i0n n HIS 77 N 5.31 -4.24 -2.28 5.22 -0.00 -1.26 -4.74 115.22 113.23 2i0n n HIS 77 Ca -0.06 2.21 -0.43 0.00 0.46 0.00 0.00 57.72 59.91 2i0n n HIS 77 Cb 0.49 -3.42 -0.02 0.00 -0.12 0.00 0.00 29.99 26.92 2i0n n HIS 77 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2i0n s PRO 78 N -2.69 3.57 -0.20 1.57 0.04 -1.26 -4.99 135.00 131.04 2i0n s PRO 78 Ca 0.00 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 2i0n s PRO 78 Cb 0.00 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.45 2i0n s PRO 78 CO 0.00 -1.57 0.13 0.08 0.04 0.00 0.00 177.00 175.68 2i0n s VAL 79 N 5.59 5.41 -2.14 -0.36 1.01 -1.26 -5.33 120.40 123.33 2i0n s VAL 79 Ca 0.65 0.19 0.31 0.00 0.00 0.00 0.00 61.98 63.12 2i0n s VAL 79 Cb -0.16 -3.47 0.81 0.00 0.00 0.00 0.00 36.38 33.56 2i0n s VAL 79 CO 0.32 0.44 2.10 0.00 0.00 0.00 0.00 175.10 177.96