#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0n n GLY 2 N 0.00 -3.39 3.58 3.03 0.00 -1.26 -4.57 105.19 102.58 2i0n n GLY 2 Ca 0.00 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 2i0n n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i0n s PRO 3 N -4.74 3.12 -0.17 1.61 0.04 -1.26 -4.53 135.00 129.08 2i0n s PRO 3 Ca 0.00 -1.47 -0.04 0.00 0.04 0.00 0.00 61.00 59.53 2i0n s PRO 3 Cb 0.00 -5.36 0.02 0.00 0.04 0.00 0.00 34.50 29.20 2i0n s PRO 3 CO 0.00 -3.24 0.09 -0.11 0.04 0.00 0.00 177.00 173.78 2i0n n LEU 4 N 11.86 -6.12 0.11 -3.56 0.00 -1.26 -5.01 117.00 113.02 2i0n n LEU 4 Ca 0.46 1.49 0.00 0.00 0.00 0.00 0.00 56.01 57.96 2i0n n LEU 4 Cb 0.46 -2.75 0.00 0.00 0.00 0.00 0.00 43.42 41.14 2i0n n LEU 4 CO 0.71 -3.15 -0.01 0.61 0.00 0.00 0.00 177.39 175.55 2i0n n GLY 5 N 1.45 -0.24 3.38 -3.96 0.00 -1.26 -5.15 105.19 99.41 2i0n n GLY 5 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.14 -0.15 0.39 1.61 0.01 -1.26 -5.17 113.70 103.99 2i0n s SER 6 Ca 0.00 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2i0n s SER 6 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2i0n s SER 6 CO 0.00 -0.92 0.00 -0.81 0.41 0.00 0.00 173.24 171.92 2i0n n PRO 7 N -0.25 0.29 -1.37 12.44 -0.04 -1.26 -4.88 135.00 139.94 2i0n n PRO 7 Ca -0.12 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 2i0n n PRO 7 Cb 0.63 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.05 2i0n n PRO 7 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2i0n n GLU 8 N -0.55 2.29 -2.12 0.54 4.07 -1.26 -4.95 120.64 118.66 2i0n n GLU 8 Ca 0.00 -2.21 -0.28 0.00 -0.06 0.00 0.00 57.16 54.61 2i0n n GLU 8 Cb 0.00 -2.05 0.18 0.00 -0.06 0.00 0.00 31.44 29.52 2i0n n GLU 8 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2i0n s PHE 9 N -1.76 1.30 -0.30 4.31 0.40 -1.26 -5.09 117.98 115.59 2i0n s PHE 9 Ca 0.54 0.06 -0.15 0.00 -0.60 0.00 0.00 56.93 56.78 2i0n s PHE 9 Cb 0.36 -3.91 0.16 0.00 0.51 0.00 0.00 43.02 40.14 2i0n s PHE 9 CO -0.18 -2.57 1.00 0.00 0.70 0.00 0.00 175.22 174.17 2i0n s ALA 10 N -3.75 -2.66 -0.17 5.36 0.00 -1.26 -4.98 121.76 114.30 2i0n s ALA 10 Ca 0.74 2.07 -0.25 0.00 0.00 0.00 0.00 51.96 54.52 2i0n s ALA 10 Cb -0.03 -2.01 -0.23 0.00 0.00 0.00 0.00 23.12 20.86 2i0n s ALA 10 CO 0.52 -0.85 0.50 -0.22 0.00 0.00 0.00 175.76 175.70 2i0n h LYS 11 N 7.23 0.02 0.00 0.00 3.64 -1.80 -3.50 116.57 122.17 2i0n h LYS 11 Ca -0.18 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.08 2i0n h LYS 11 Cb 1.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2i0n h LYS 11 CO 0.10 1.02 -0.06 0.66 -2.27 0.00 0.00 179.45 178.90 2i0n n TYR 12 N -4.47 -0.62 -3.63 1.91 4.01 -1.08 -4.24 117.16 109.03 2i0n n TYR 12 Ca -0.21 -0.68 -0.15 0.00 -0.16 0.00 0.00 57.90 56.69 2i0n n TYR 12 Cb 0.61 0.14 -0.14 0.00 -0.31 0.00 0.00 39.34 39.64 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 -2.00 -0.40 -0.45 -0.72 0.00 -1.09 -1.79 121.76 115.30 2i0n s ALA 13 Ca 0.09 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2i0n s ALA 13 Cb -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.14 2i0n s ALA 13 CO 0.06 -0.72 0.48 0.50 0.00 0.00 0.00 175.76 176.08 2i0n s ARG 14 N 2.37 3.08 -0.13 0.00 3.00 0.97 0.41 118.95 128.65 2i0n s ARG 14 Ca 0.03 -0.91 -0.36 0.00 -1.00 0.00 0.00 55.73 53.48 2i0n s ARG 14 Cb -0.13 -4.03 -0.13 0.00 0.00 0.00 0.00 34.95 30.66 2i0n s ARG 14 CO -0.08 -0.98 1.81 0.00 0.00 0.00 0.00 175.30 176.04 2i0n n ALA 15 N 5.67 0.50 0.81 6.12 0.00 0.35 -2.37 120.51 131.58 2i0n n ALA 15 Ca -0.08 0.33 0.02 0.00 0.00 0.00 0.00 53.44 53.72 2i0n n ALA 15 Cb 0.46 -2.39 0.10 0.00 0.00 0.00 0.00 19.45 17.63 2i0n n ALA 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2i0n n LEU 16 N 5.94 1.85 0.00 0.00 -0.00 -1.16 -1.33 117.00 122.30 2i0n n LEU 16 Ca 0.23 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 55.31 2i0n n LEU 16 Cb 0.24 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2i0n n LEU 16 CO 0.75 0.32 0.00 2.29 -0.00 0.00 0.00 177.39 180.75 2i0n n LYS 17 N 0.15 0.00 -4.18 1.47 2.85 -1.26 -4.65 118.16 112.54 2i0n n LYS 17 Ca 0.07 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.99 2i0n n LYS 17 Cb 0.38 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.68 2i0n n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2i0n s ASP 18 N 1.74 5.63 0.03 -5.58 1.11 -1.26 0.85 116.67 119.18 2i0n s ASP 18 Ca 0.00 0.22 0.05 0.00 0.18 0.00 0.00 52.55 53.00 2i0n s ASP 18 Cb 0.00 -1.65 -0.02 0.00 1.07 0.00 0.00 42.92 42.32 2i0n s ASP 18 CO 0.00 0.35 -0.15 -0.47 1.18 0.00 0.00 175.17 176.09 2i0n s TYR 19 N -1.01 1.28 0.21 4.23 5.04 -0.76 -4.91 117.35 121.43 2i0n s TYR 19 Ca 0.17 -0.33 0.10 0.00 -2.44 0.00 0.00 57.07 54.57 2i0n s TYR 19 Cb -0.12 -0.77 -0.05 0.00 0.35 0.00 0.00 41.96 41.38 2i0n s TYR 19 CO 0.06 0.03 -0.20 1.21 -1.34 0.00 0.00 175.55 175.31 2i0n s ASN 20 N -0.99 3.15 0.17 4.32 3.04 -1.26 -2.64 114.94 120.73 2i0n s ASN 20 Ca 0.03 -0.94 -0.09 0.00 0.04 0.00 0.00 52.86 51.89 2i0n s ASN 20 Cb -0.07 -0.23 -0.01 0.00 -1.54 0.00 0.00 41.25 39.40 2i0n s ASN 20 CO 0.01 0.01 0.31 0.68 -3.04 0.00 0.00 177.10 175.07 2i0n s VAL 21 N -2.22 0.06 -0.46 -5.21 -7.23 -1.26 -4.93 120.40 99.14 2i0n s VAL 21 Ca 0.22 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2i0n s VAL 21 Cb -0.05 -1.86 0.16 0.00 0.56 0.00 0.00 36.38 35.19 2i0n s VAL 21 CO 0.10 -0.26 0.34 -0.94 -0.31 0.00 0.00 175.10 174.03 2i0n s SER 22 N -2.97 2.49 -0.04 4.85 1.04 -1.26 -5.01 113.70 112.81 2i0n s SER 22 Ca 0.17 -3.07 -0.12 0.00 0.48 0.00 0.00 55.95 53.42 2i0n s SER 22 Cb 0.03 -0.73 0.04 0.00 0.10 0.00 0.00 66.02 65.46 2i0n s SER 22 CO 0.01 -0.18 0.52 0.47 0.98 0.00 0.00 173.24 175.04 2i0n n ASP 23 N 2.89 -0.39 -1.11 7.02 8.00 -1.26 -5.01 116.55 126.68 2i0n n ASP 23 Ca 0.24 -1.01 0.08 0.00 0.71 0.00 0.00 54.79 54.81 2i0n n ASP 23 Cb 0.43 0.58 0.29 0.00 -0.02 0.00 0.00 41.12 42.40 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 -0.38 2.34 -1.40 -3.53 -2.24 -1.26 -4.41 114.28 103.39 2i0n n THR 24 Ca 0.03 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 2i0n n THR 24 Cb 0.22 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2i0n n THR 24 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2i0n n SER 25 N -0.20 0.00 -5.00 3.42 3.41 -1.26 -5.08 113.62 108.91 2i0n n SER 25 Ca 0.22 -1.40 -0.18 0.00 -0.26 0.00 0.00 58.87 57.25 2i0n n SER 25 Cb 0.94 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.84 2i0n n SER 25 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2i0n s LEU 26 N 0.00 3.50 -0.45 1.04 2.01 -1.26 -3.21 118.68 120.31 2i0n s LEU 26 Ca 0.00 -0.39 0.02 0.00 0.01 0.00 0.00 54.13 53.77 2i0n s LEU 26 Cb 0.00 -2.56 0.14 0.00 0.01 0.00 0.00 46.19 43.79 2i0n s LEU 26 CO 0.00 -0.94 0.27 -0.22 1.01 0.00 0.00 176.35 176.47 2i0n s LEU 27 N -4.49 2.55 0.18 1.79 2.96 -1.04 -4.06 118.68 116.57 2i0n s LEU 27 Ca 0.57 -2.74 -0.30 0.00 -0.22 0.00 0.00 54.13 51.43 2i0n s LEU 27 Cb -0.09 -0.95 -0.08 0.00 0.50 0.00 0.00 46.19 45.57 2i0n s LEU 27 CO 0.35 -0.24 1.13 -2.16 -1.32 0.00 0.00 176.35 174.11 2i0n s PRO 28 N 0.23 4.56 0.02 0.98 0.04 -1.26 -4.73 135.00 134.84 2i0n s PRO 28 Ca 0.20 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2i0n s PRO 28 Cb -0.19 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 2i0n s PRO 28 CO -0.04 0.03 0.02 1.97 0.04 0.00 0.00 177.00 179.02 2i0n n PHE 29 N 2.36 -0.34 -4.42 0.56 1.16 -1.08 -4.99 117.46 110.71 2i0n n PHE 29 Ca 0.03 -0.12 -0.21 0.00 -1.87 0.00 0.00 57.45 55.29 2i0n n PHE 29 Cb 0.46 0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.24 2i0n n PHE 29 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2i0n s LYS 30 N -2.05 1.57 0.99 3.97 2.20 -1.26 -1.82 119.74 123.34 2i0n s LYS 30 Ca 0.02 -1.83 -0.16 0.00 -0.36 0.00 0.00 55.97 53.63 2i0n s LYS 30 Cb -0.00 -0.91 0.08 0.00 -1.51 0.00 0.00 37.83 35.48 2i0n s LYS 30 CO 0.01 -0.10 -0.12 -2.13 -0.36 0.00 0.00 175.35 172.65 2i0n n ARG 31 N -0.61 -1.51 -3.82 4.03 0.63 0.25 -3.12 116.66 112.51 2i0n n ARG 31 Ca -0.04 -0.44 -0.24 0.00 -0.92 0.00 0.00 57.85 56.21 2i0n n ARG 31 Cb 0.65 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 32.08 2i0n n ARG 31 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2i0n n ASN 32 N -0.20 0.34 -4.19 6.15 6.94 -0.44 -4.78 115.26 119.07 2i0n n ASN 32 Ca 0.02 -0.94 -0.33 0.00 -0.02 0.00 0.00 54.58 53.32 2i0n n ASN 32 Cb 0.47 -1.17 -0.16 0.00 -2.36 0.00 0.00 39.78 36.55 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 -3.77 3.23 -0.59 0.53 2.15 -1.10 -4.77 116.67 112.33 2i0n s ASP 33 Ca 0.11 -0.57 -0.22 0.00 0.43 0.00 0.00 52.55 52.29 2i0n s ASP 33 Cb -0.06 -1.47 0.06 0.00 -0.30 0.00 0.00 42.92 41.14 2i0n s ASP 33 CO 0.74 0.08 0.89 -0.63 -0.17 0.00 0.00 175.17 176.08 2i0n s ILE 34 N 0.79 4.46 -0.37 4.11 1.09 -1.26 0.13 121.20 130.15 2i0n s ILE 34 Ca -0.07 -0.16 -0.24 0.00 -1.10 0.00 0.00 60.65 59.08 2i0n s ILE 34 Cb -0.16 -4.56 0.01 0.00 -1.06 0.00 0.00 42.46 36.70 2i0n s ILE 34 CO -0.01 -1.21 0.81 -0.63 -0.10 0.00 0.00 174.94 173.80 2i0n s ILE 35 N 3.74 4.70 -0.45 2.92 1.01 0.17 -4.84 121.20 128.44 2i0n s ILE 35 Ca 0.24 0.90 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 2i0n s ILE 35 Cb -0.16 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 2i0n s ILE 35 CO 0.14 -0.48 2.36 0.41 0.00 0.00 0.00 174.94 177.37 2i0n n THR 36 N 5.85 0.08 -1.56 2.92 -1.04 -0.55 -2.66 114.28 117.34 2i0n n THR 36 Ca 0.04 -0.52 -0.13 0.00 -2.04 0.00 0.00 64.05 61.39 2i0n n THR 36 Cb 0.48 -2.26 -0.08 0.00 -1.82 0.00 0.00 70.33 66.64 2i0n n THR 36 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2i0n n ILE 37 N 7.73 0.00 0.09 12.58 2.08 -1.26 -2.34 119.36 138.24 2i0n n ILE 37 Ca 0.39 -0.43 -0.07 0.00 0.56 0.00 0.00 62.75 63.20 2i0n n ILE 37 Cb 0.40 -1.89 -0.04 0.00 -0.75 0.00 0.00 39.64 37.36 2i0n n ILE 37 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2i0n h THR 38 N 7.52 1.58 -0.46 1.39 1.35 -1.85 -3.45 112.91 119.00 2i0n h THR 38 Ca 0.00 -2.92 0.16 0.00 -0.55 0.00 0.00 66.41 63.10 2i0n h THR 38 Cb 1.01 2.62 -0.19 0.00 -1.73 0.00 0.00 68.15 69.85 2i0n h THR 38 CO 1.03 0.84 -0.12 0.12 -0.25 0.00 0.00 175.52 177.14 2i0n s PHE 39 N -3.01 -0.85 0.00 4.73 5.36 1.00 -5.00 117.98 120.20 2i0n s PHE 39 Ca -0.01 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 2i0n s PHE 39 Cb 0.10 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2i0n s PHE 39 CO 0.82 -0.50 0.00 0.36 -1.46 0.00 0.00 175.22 174.44 2i0n n LYS 40 N 5.13 2.01 -4.24 10.12 -0.00 -1.26 -1.00 118.16 128.91 2i0n n LYS 40 Ca 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.26 2i0n n LYS 40 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.50 2i0n n LYS 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2i0n s ASP 41 N -1.00 1.19 0.12 -5.58 1.11 -1.25 -4.78 116.67 106.48 2i0n s ASP 41 Ca 0.00 -1.18 0.22 0.00 0.18 0.00 0.00 52.55 51.77 2i0n s ASP 41 Cb 0.00 0.12 -0.13 0.00 1.07 0.00 0.00 42.92 43.99 2i0n s ASP 41 CO 0.00 -0.58 0.83 1.67 1.18 0.00 0.00 175.17 178.27 2i0n n GLN 42 N -0.25 0.63 0.01 8.23 7.27 -1.26 -3.98 117.38 128.02 2i0n n GLN 42 Ca -0.06 0.01 0.06 0.00 0.07 0.00 0.00 57.00 57.08 2i0n n GLN 42 Cb 0.63 -1.72 0.26 0.00 2.41 0.00 0.00 30.24 31.83 2i0n n GLN 42 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2i0n n GLU 43 N -2.54 0.01 -3.55 3.69 0.28 -1.26 -4.87 120.64 112.41 2i0n n GLU 43 Ca -0.02 0.31 -0.21 0.00 -0.16 0.00 0.00 57.16 57.09 2i0n n GLU 43 Cb 0.57 -1.53 0.08 0.00 1.43 0.00 0.00 31.44 31.99 2i0n n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2i0n n ASN 44 N -1.55 -3.59 0.00 -1.84 4.05 -1.26 -4.89 115.26 106.19 2i0n n ASN 44 Ca 0.03 -0.63 0.00 0.00 0.45 0.00 0.00 54.58 54.43 2i0n n ASN 44 Cb 0.14 -4.90 0.00 0.00 1.23 0.00 0.00 39.78 36.25 2i0n n ASN 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2i0n n LYS 45 N -4.48 0.03 -4.00 1.20 5.02 -1.26 -4.74 118.16 109.93 2i0n n LYS 45 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 2i0n n LYS 45 Cb 0.62 -0.81 -0.11 0.00 -0.02 0.00 0.00 35.03 34.71 2i0n n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2i0n s TRP 46 N -1.62 0.35 0.03 2.13 0.52 -1.26 -3.32 118.94 115.77 2i0n s TRP 46 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 56.10 55.71 2i0n s TRP 46 Cb 0.00 -0.23 -0.02 0.00 -1.15 0.00 0.00 33.47 32.07 2i0n s TRP 46 CO 0.00 -0.14 -0.17 -0.06 0.02 0.00 0.00 176.95 176.60 2i0n s PHE 47 N -1.29 1.47 -0.34 -1.98 0.40 -0.86 -3.74 117.98 111.64 2i0n s PHE 47 Ca -0.13 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2i0n s PHE 47 Cb -0.09 -0.89 0.08 0.00 0.51 0.00 0.00 43.02 42.63 2i0n s PHE 47 CO -0.01 0.04 0.07 1.41 0.70 0.00 0.00 175.22 177.43 2i0n s MET 48 N -0.95 2.04 0.17 0.44 1.75 -0.17 -2.41 119.30 120.17 2i0n s MET 48 Ca 0.05 -1.60 0.03 0.00 -1.25 0.00 0.00 55.69 52.91 2i0n s MET 48 Cb -0.08 -3.29 -0.01 0.00 2.84 0.00 0.00 34.83 34.30 2i0n s MET 48 CO 0.01 -0.84 0.11 0.41 -0.65 0.00 0.00 175.02 174.06 2i0n n GLY 49 N 4.50 3.57 3.43 2.11 0.00 -1.05 -0.00 105.19 117.74 2i0n n GLY 49 Ca -0.06 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 2i0n n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2i0n s GLN 50 N -2.67 0.91 0.00 1.61 -0.44 -0.99 -1.51 119.66 116.58 2i0n s GLN 50 Ca 0.16 0.15 0.00 0.00 -2.50 0.00 0.00 55.36 53.16 2i0n s GLN 50 Cb 0.01 0.42 0.00 0.00 -1.64 0.00 0.00 33.01 31.80 2i0n s GLN 50 CO 0.11 -0.27 0.00 1.47 0.50 0.00 0.00 175.29 177.10 2i0n n LEU 51 N 1.14 0.00 -4.52 3.68 -0.00 0.83 -1.48 117.00 116.65 2i0n n LEU 51 Ca -0.20 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.56 2i0n n LEU 51 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.84 2i0n n LEU 51 CO 0.22 0.00 1.89 -3.20 -0.00 0.00 0.00 177.39 176.30 2i0n n ASN 52 N 0.00 0.24 -4.11 1.45 5.15 -1.26 -2.67 115.26 114.06 2i0n n ASN 52 Ca 0.00 -0.63 -0.35 0.00 -0.60 0.00 0.00 54.58 53.00 2i0n n ASN 52 Cb 0.00 -1.04 -0.07 0.00 -0.53 0.00 0.00 39.78 38.13 2i0n n ASN 52 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2i0n n GLY 53 N 6.12 -0.29 3.13 8.20 0.00 -1.26 -4.88 105.19 116.20 2i0n n GLY 53 Ca 0.58 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 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 -6.47 0.26 -0.12 1.61 -0.14 -1.09 -5.14 119.74 108.66 2i0n s LYS 54 Ca 0.55 0.68 -0.00 0.00 -1.36 0.00 0.00 55.97 55.84 2i0n s LYS 54 Cb -0.32 -0.05 0.03 0.00 -1.68 0.00 0.00 37.83 35.81 2i0n s LYS 54 CO 0.88 -0.19 -0.08 -2.00 -0.76 0.00 0.00 175.35 173.20 2i0n s GLU 55 N 1.58 1.55 0.00 1.68 2.12 -1.26 -0.12 118.70 124.25 2i0n s GLU 55 Ca -0.07 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 54.98 2i0n s GLU 55 Cb -0.10 -1.62 0.00 0.00 0.26 0.00 0.00 34.13 32.66 2i0n s GLU 55 CO -0.10 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 2i0n n GLY 56 N 4.94 3.59 3.38 -1.50 0.00 -0.57 -4.62 105.19 110.40 2i0n n GLY 56 Ca -0.13 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 2.00 1.97 -0.30 1.61 0.01 -1.20 -2.53 113.70 115.27 2i0n s SER 57 Ca 0.00 -1.62 -0.23 0.00 1.31 0.00 0.00 55.95 55.40 2i0n s SER 57 Cb 0.00 0.44 0.19 0.00 0.21 0.00 0.00 66.02 66.86 2i0n s SER 57 CO 0.00 -0.92 1.35 0.72 0.41 0.00 0.00 173.24 174.80 2i0n s PHE 58 N -3.45 -0.12 0.61 2.43 -0.12 -1.01 -2.48 117.98 113.83 2i0n s PHE 58 Ca 0.33 0.28 -0.18 0.00 -0.05 0.00 0.00 56.93 57.31 2i0n s PHE 58 Cb 0.04 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2i0n s PHE 58 CO 0.18 -0.06 1.18 -1.25 -0.05 0.00 0.00 175.22 175.22 2i0n s PRO 59 N 0.26 2.95 0.00 1.99 0.04 -1.26 -2.02 135.00 136.96 2i0n s PRO 59 Ca 0.04 1.71 0.11 0.00 0.04 0.00 0.00 61.00 62.89 2i0n s PRO 59 Cb -0.04 -1.94 0.48 0.00 0.04 0.00 0.00 34.50 33.04 2i0n s PRO 59 CO -0.14 -1.20 1.32 0.28 0.04 0.00 0.00 177.00 177.31 2i0n n VAL 60 N -1.76 1.14 0.25 -0.36 0.31 -1.21 -2.86 118.33 113.83 2i0n n VAL 60 Ca 0.13 0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.79 2i0n n VAL 60 Cb 0.50 -1.10 0.24 0.00 -0.91 0.00 0.00 33.84 32.58 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 -1.45 0.15 -1.59 4.52 -0.08 -1.26 -3.42 116.55 113.41 2i0n n ASP 61 Ca 0.03 0.55 -0.01 0.00 -1.51 0.00 0.00 54.79 53.86 2i0n n ASP 61 Cb 0.12 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.00 2i0n n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2i0n n HIS 62 N -1.68 -0.02 -3.89 -0.67 1.44 -1.14 -5.08 115.22 104.18 2i0n n HIS 62 Ca 0.01 -0.79 -0.19 0.00 -2.01 0.00 0.00 57.72 54.74 2i0n n HIS 62 Cb 0.09 0.19 -0.17 0.00 0.12 0.00 0.00 29.99 30.22 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 -0.44 0.25 0.13 0.61 -7.23 -1.22 -2.99 120.40 109.51 2i0n s VAL 63 Ca 0.20 0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 60.47 2i0n s VAL 63 Cb 0.26 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.79 2i0n s VAL 63 CO -0.10 0.19 0.31 -0.70 -0.31 0.00 0.00 175.10 174.50 2i0n s GLU 64 N 1.39 3.50 -0.27 4.82 2.12 -1.00 -4.89 118.70 124.38 2i0n s GLU 64 Ca -0.04 -0.36 -0.08 0.00 0.36 0.00 0.00 54.97 54.85 2i0n s GLU 64 Cb -0.13 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 2i0n s GLU 64 CO -0.03 0.50 0.09 0.42 -0.54 0.00 0.00 175.26 175.70 2i0n s ILE 65 N -1.69 4.28 -0.38 -3.70 -1.09 -1.26 -0.02 121.20 117.34 2i0n s ILE 65 Ca 0.37 -0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 58.35 2i0n s ILE 65 Cb -0.12 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 2i0n s ILE 65 CO 0.28 0.24 0.23 -1.48 -1.23 0.00 0.00 174.94 172.98 2i0n s LEU 66 N 1.59 4.80 0.00 2.97 2.34 -0.74 -4.93 118.68 124.71 2i0n s LEU 66 Ca 0.05 -0.95 0.00 0.00 0.06 0.00 0.00 54.13 53.30 2i0n s LEU 66 Cb -0.16 -2.06 0.00 0.00 -0.56 0.00 0.00 46.19 43.41 2i0n s LEU 66 CO 0.04 -0.39 0.06 0.18 -1.06 0.00 0.00 176.35 175.18 2i0n n LEU 67 N 5.04 2.18 0.10 1.48 4.32 -1.26 -2.64 117.00 126.22 2i0n n LEU 67 Ca -0.12 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2i0n n LEU 67 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 2i0n n LEU 67 CO 0.38 0.00 -0.02 -0.24 -1.22 0.00 0.00 177.39 176.29 2i0n n SER 68 N -0.42 0.29 0.28 -1.43 2.88 -1.26 -4.54 113.62 109.41 2i0n n SER 68 Ca 0.00 0.33 0.14 0.00 -1.33 0.00 0.00 58.87 58.01 2i0n n SER 68 Cb 0.00 0.12 0.74 0.00 -0.75 0.00 0.00 64.21 64.31 2i0n n SER 68 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2i0n h ASP 69 N 0.00 0.00 -3.48 -3.46 2.03 -2.01 -3.39 116.42 106.11 2i0n h ASP 69 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 2i0n h ASP 69 Cb 0.04 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.42 2i0n h ASP 69 CO 0.00 0.00 0.17 -0.69 -1.03 0.00 0.00 179.24 177.69 2i0n s VAL 70 N -3.87 4.97 -0.12 4.15 1.01 -1.26 -5.02 120.40 120.27 2i0n s VAL 70 Ca -0.03 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 2i0n s VAL 70 Cb 0.08 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2i0n s VAL 70 CO 0.25 0.00 1.03 -2.16 0.00 0.00 0.00 175.10 174.22 2i0n s PRO 71 N 2.53 4.40 -0.36 2.72 0.04 -1.26 -4.74 135.00 138.33 2i0n s PRO 71 Ca 0.26 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 2i0n s PRO 71 Cb -0.15 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.84 2i0n s PRO 71 CO 0.09 -0.36 1.37 -1.25 0.04 0.00 0.00 177.00 176.88 2i0n s PRO 72 N 2.17 3.72 -0.83 0.56 0.04 -1.26 -4.95 135.00 134.45 2i0n s PRO 72 Ca 0.48 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 2i0n s PRO 72 Cb -0.18 -3.96 0.02 0.00 0.04 0.00 0.00 34.50 30.41 2i0n s PRO 72 CO 0.17 -1.37 1.50 -1.25 0.04 0.00 0.00 177.00 176.08 2i0n s PRO 73 N 4.60 3.16 -0.49 0.56 0.04 -1.26 -4.95 135.00 136.66 2i0n s PRO 73 Ca 0.59 -0.40 -0.07 0.00 0.04 0.00 0.00 61.00 61.16 2i0n s PRO 73 Cb -0.15 -4.69 0.13 0.00 0.04 0.00 0.00 34.50 29.83 2i0n s PRO 73 CO 0.29 -2.40 0.34 -1.14 0.04 0.00 0.00 177.00 174.13 2i0n s GLN 74 N 5.84 2.42 -0.18 4.56 0.74 -1.26 -4.64 119.66 127.14 2i0n s GLN 74 Ca 0.47 -1.91 -0.29 0.00 0.05 0.00 0.00 55.36 53.68 2i0n s GLN 74 Cb -0.06 -3.84 -0.02 0.00 1.10 0.00 0.00 33.01 30.19 2i0n s GLN 74 CO 0.06 -1.17 1.43 -1.25 -0.55 0.00 0.00 175.29 173.81 2i0n s PRO 75 N 1.07 4.07 -0.21 1.67 0.04 -1.26 -4.98 135.00 135.39 2i0n s PRO 75 Ca 0.08 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.79 2i0n s PRO 75 Cb -0.24 -3.89 0.10 0.00 0.04 0.00 0.00 34.50 30.51 2i0n s PRO 75 CO -0.02 -0.94 0.26 0.54 0.04 0.00 0.00 177.00 176.88 2i0n s VAL 76 N 4.14 -0.39 -0.02 -0.36 0.11 -1.26 -5.04 120.40 117.58 2i0n s VAL 76 Ca 0.63 -0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 59.35 2i0n s VAL 76 Cb -0.24 -0.71 -0.16 0.00 -1.53 0.00 0.00 36.38 33.75 2i0n s VAL 76 CO 0.22 -0.18 1.04 0.45 -3.33 0.00 0.00 175.10 173.30 2i0n h HIS 77 N 8.28 -0.31 -3.00 1.54 3.86 -2.08 -3.42 115.15 120.02 2i0n h HIS 77 Ca -0.18 -0.01 -0.57 0.00 -1.16 0.00 0.00 60.37 58.46 2i0n h HIS 77 Cb 1.15 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.68 2i0n h HIS 77 CO 0.14 0.06 0.96 -1.25 0.86 0.00 0.00 177.93 178.70 2i0n s PRO 78 N -4.04 4.04 0.33 2.45 0.04 -1.26 -5.02 135.00 131.54 2i0n s PRO 78 Ca -0.13 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 2i0n s PRO 78 Cb 0.01 -3.85 -0.09 0.00 0.04 0.00 0.00 34.50 30.62 2i0n s PRO 78 CO 0.50 -0.96 0.74 0.14 0.04 0.00 0.00 177.00 177.46 2i0n s VAL 79 N 4.08 4.68 0.00 -0.36 -7.23 -1.26 -5.23 120.40 115.08 2i0n s VAL 79 Ca 0.57 0.94 0.00 0.00 -1.81 0.00 0.00 61.98 61.68 2i0n s VAL 79 Cb -0.20 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2i0n s VAL 79 CO 0.20 -0.20 0.00 0.00 -0.31 0.00 0.00 175.10 174.79