#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4i s SER 2 N 0.00 6.67 -0.21 1.61 0.01 -1.26 -5.00 113.70 115.51 1x4i s SER 2 Ca 0.00 0.80 -0.00 0.00 1.31 0.00 0.00 55.95 58.05 1x4i s SER 2 Cb 0.00 -2.19 -0.13 0.00 0.21 0.00 0.00 66.02 63.91 1x4i s SER 2 CO 0.00 0.30 -0.20 -1.54 0.41 0.00 0.00 173.24 172.21 1x4i n SER 3 N 1.58 2.23 -3.11 2.44 3.41 -1.26 -4.97 113.62 113.95 1x4i n SER 3 Ca -0.14 -0.05 0.04 0.00 -0.26 0.00 0.00 58.87 58.46 1x4i n SER 3 Cb 0.53 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1x4i n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4i s GLY 4 N -5.96 -1.21 0.87 5.00 0.00 -1.26 -5.16 107.32 99.60 1x4i s GLY 4 Ca -0.29 1.21 -0.14 0.00 0.00 0.00 0.00 44.72 45.50 1x4i s GLY 4 CO 0.48 3.88 0.46 1.44 0.00 0.00 0.00 173.10 179.36 1x4i n SER 5 N 4.91 -1.71 -3.65 1.64 7.64 -1.26 -5.03 113.62 116.17 1x4i n SER 5 Ca 0.08 0.43 -0.09 0.00 1.01 0.00 0.00 58.87 60.29 1x4i n SER 5 Cb 0.57 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.53 1x4i n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4i s SER 6 N -1.81 -0.41 0.00 6.43 0.01 -1.26 -5.15 113.70 111.51 1x4i s SER 6 Ca 0.60 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1x4i s SER 6 Cb -0.26 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1x4i s SER 6 CO 0.64 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1x4i n GLY 7 N -0.42 1.23 0.24 3.44 0.00 -1.26 -4.64 105.19 103.77 1x4i n GLY 7 Ca -0.10 0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1x4i n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x4i n TYR 8 N 0.00 0.00 -0.90 1.61 4.02 0.31 -4.62 117.16 117.59 1x4i n TYR 8 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1x4i n TYR 8 Cb 0.00 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.40 1x4i n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x4i h ILE 10 N -1.29 0.25 -0.19 0.00 3.07 -1.94 0.59 117.51 117.99 1x4i h ILE 10 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1x4i h ILE 10 Cb 1.32 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1x4i h ILE 10 CO 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.38 1x4i n ASN 12 N 0.11 -2.29 -4.32 0.00 4.13 0.21 -4.98 115.26 108.11 1x4i n ASN 12 Ca 0.07 -1.01 -0.17 0.00 1.68 0.00 0.00 54.58 55.15 1x4i n ASN 12 Cb 0.24 -3.20 -0.10 0.00 -1.54 0.00 0.00 39.78 35.18 1x4i n ASN 12 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1x4i s GLN 13 N -6.34 1.27 0.74 3.52 -1.52 -1.25 -4.41 119.66 111.67 1x4i s GLN 13 Ca 0.19 -1.56 -0.16 0.00 -1.95 0.00 0.00 55.36 51.88 1x4i s GLN 13 Cb -0.07 -0.98 0.01 0.00 -0.22 0.00 0.00 33.01 31.74 1x4i s GLN 13 CO 0.88 0.15 0.90 1.33 -0.25 0.00 0.00 175.29 178.29 1x4i n VAL 14 N -0.34 2.46 -2.58 1.09 0.24 -1.26 -0.53 118.33 117.41 1x4i n VAL 14 Ca -0.08 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 1x4i n VAL 14 Cb 0.61 -1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.92 1x4i n VAL 14 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x4i s SER 15 N -1.67 6.63 0.44 -1.34 1.04 -1.26 -4.79 113.70 112.75 1x4i s SER 15 Ca 0.71 -1.84 0.03 0.00 0.48 0.00 0.00 55.95 55.34 1x4i s SER 15 Cb -0.34 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.18 1x4i s SER 15 CO 0.52 -1.37 0.04 -0.72 0.98 0.00 0.00 173.24 172.69 1x4i s TYR 16 N 4.60 2.03 0.21 5.02 1.13 -1.26 -5.07 117.35 124.02 1x4i s TYR 16 Ca 0.48 -0.94 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 1x4i s TYR 16 Cb 0.01 -1.53 0.00 0.00 -1.10 0.00 0.00 41.96 39.34 1x4i s TYR 16 CO -0.04 0.16 0.00 0.41 -2.51 0.00 0.00 175.55 173.57 1x4i n GLY 17 N -1.04 -1.24 3.61 5.49 0.00 -1.26 -4.43 105.19 106.31 1x4i n GLY 17 Ca -0.11 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1x4i n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4i s GLU 18 N -1.68 3.27 -0.01 1.61 2.02 -1.26 -4.97 118.70 117.69 1x4i s GLU 18 Ca 0.00 1.92 0.05 0.00 0.02 0.00 0.00 54.97 56.95 1x4i s GLU 18 Cb 0.00 -4.30 -0.03 0.00 0.10 0.00 0.00 34.13 29.90 1x4i s GLU 18 CO 0.00 -1.94 -0.14 -1.64 0.02 0.00 0.00 175.26 171.56 1x4i s MET 19 N 5.99 2.38 -0.39 1.61 -1.94 -1.26 -3.34 119.30 122.36 1x4i s MET 19 Ca 0.94 -0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 54.02 1x4i s MET 19 Cb -0.31 -2.34 0.04 0.00 2.01 0.00 0.00 34.83 34.23 1x4i s MET 19 CO 0.35 0.59 0.23 0.54 -0.01 0.00 0.00 175.02 176.72 1x4i s VAL 20 N -0.84 4.50 -0.06 -6.03 0.11 -0.28 -4.87 120.40 112.92 1x4i s VAL 20 Ca 0.14 -1.02 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 1x4i s VAL 20 Cb -0.11 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 31.11 1x4i s VAL 20 CO 0.03 -0.32 1.72 -0.83 -3.33 0.00 0.00 175.10 172.37 1x4i s GLY 21 N 1.74 1.45 0.18 6.54 0.00 -1.26 -2.87 107.32 113.10 1x4i s GLY 21 Ca 0.02 0.94 -0.33 0.00 0.00 0.00 0.00 44.72 45.35 1x4i s GLY 21 CO 0.05 3.13 1.43 0.00 0.00 0.00 0.00 173.10 177.71 1x4i h ASP 23 N 4.77 0.84 -2.27 0.00 3.58 -1.91 -3.38 116.42 118.05 1x4i h ASP 23 Ca -0.45 0.02 -0.52 0.00 0.42 0.00 0.00 57.03 56.49 1x4i h ASP 23 Cb 1.28 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.13 1x4i h ASP 23 CO 0.80 0.51 1.24 0.21 -2.88 0.00 0.00 179.24 179.12 1x4i s ASN 24 N -5.96 5.66 0.46 2.28 2.47 -1.26 -4.82 114.94 113.76 1x4i s ASN 24 Ca -0.11 0.24 0.30 0.00 0.42 0.00 0.00 52.86 53.72 1x4i s ASN 24 Cb 0.20 -2.54 1.65 0.00 -1.45 0.00 0.00 41.25 39.12 1x4i s ASN 24 CO 0.79 -2.09 1.93 1.56 -3.72 0.00 0.00 177.10 175.57 1x4i h GLN 25 N 13.08 0.00 0.00 0.43 1.08 -2.00 0.13 115.11 127.83 1x4i h GLN 25 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1x4i h GLN 25 Cb 1.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1x4i h GLN 25 CO 1.21 0.00 0.00 -3.47 -0.95 0.00 0.00 178.83 175.62 1x4i n ASP 26 N -2.57 0.00 -4.75 1.46 -0.08 -1.26 -4.83 116.55 104.52 1x4i n ASP 26 Ca -0.02 0.30 -0.41 0.00 -1.51 0.00 0.00 54.79 53.14 1x4i n ASP 26 Cb 0.06 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 43.07 1x4i n ASP 26 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x4i h PRO 28 N 5.06 0.00 0.00 0.00 0.13 -1.89 -3.32 132.00 131.98 1x4i h PRO 28 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1x4i h PRO 28 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1x4i h PRO 28 CO 0.79 0.00 -1.51 -0.89 -0.23 0.00 0.00 178.00 176.16 1x4i n ILE 29 N -2.57 0.97 -1.98 -3.56 5.41 -1.26 -5.00 119.36 111.36 1x4i n ILE 29 Ca 0.01 -0.09 -0.20 0.00 1.00 0.00 0.00 62.75 63.47 1x4i n ILE 29 Cb 0.25 -1.78 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 1x4i n ILE 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x4i n GLU 30 N -3.77 -1.50 -3.64 0.38 1.02 -1.25 -4.94 120.64 106.94 1x4i n GLU 30 Ca -0.24 1.09 -0.04 0.00 -0.02 0.00 0.00 57.16 57.95 1x4i n GLU 30 Cb 0.60 -5.58 -0.07 0.00 -0.02 0.00 0.00 31.44 26.37 1x4i n GLU 30 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1x4i s TRP 31 N -2.88 -0.81 -0.05 -0.32 0.52 -1.26 -3.35 118.94 110.79 1x4i s TRP 31 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 56.10 57.67 1x4i s TRP 31 Cb 0.00 0.49 0.01 0.00 -1.15 0.00 0.00 33.47 32.82 1x4i s TRP 31 CO 0.00 -0.40 0.17 -0.06 0.02 0.00 0.00 176.95 176.68 1x4i s PHE 32 N 1.51 -0.14 0.45 -1.98 0.40 -1.14 -3.82 117.98 113.27 1x4i s PHE 32 Ca -0.09 0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 56.34 1x4i s PHE 32 Cb -0.04 0.04 -0.08 0.00 0.51 0.00 0.00 43.02 43.45 1x4i s PHE 32 CO -0.17 -0.15 1.12 -1.01 0.70 0.00 0.00 175.22 175.71 1x4i s HIS 33 N -0.29 2.97 0.31 0.36 3.76 -1.26 -1.12 115.29 120.02 1x4i s HIS 33 Ca -0.04 1.57 0.03 0.00 -0.15 0.00 0.00 55.06 56.47 1x4i s HIS 33 Cb -0.03 -3.28 0.52 0.00 1.11 0.00 0.00 32.58 30.90 1x4i s HIS 33 CO 0.01 -1.23 1.82 1.88 -0.85 0.00 0.00 174.74 176.36 1x4i h TYR 34 N 2.05 0.56 0.00 1.40 -1.99 -1.86 -1.68 116.97 115.44 1x4i h TYR 34 Ca -0.49 -0.08 -0.15 0.00 2.00 0.00 0.00 58.73 60.01 1x4i h TYR 34 Cb 1.24 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.79 1x4i h TYR 34 CO 0.55 0.60 -0.72 0.78 -0.00 0.00 0.00 178.16 179.36 1x4i h GLY 35 N 0.90 0.00 1.32 3.88 0.00 -1.89 0.62 103.07 107.90 1x4i h GLY 35 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.18 1x4i h GLY 35 CO 0.02 0.00 -0.97 0.00 0.00 0.00 0.00 176.54 175.59 1x4i n VAL 37 N -3.83 0.81 -0.91 0.00 0.24 -0.66 -5.02 118.33 108.96 1x4i n VAL 37 Ca -0.09 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1x4i n VAL 37 Cb 0.85 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1x4i n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x4i n GLY 38 N 1.32 0.07 2.66 7.63 0.00 0.14 -5.08 105.19 111.92 1x4i n GLY 38 Ca -0.07 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1x4i n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4i s LEU 39 N -1.07 0.67 0.18 0.99 1.43 0.17 -5.01 118.68 116.04 1x4i s LEU 39 Ca 0.00 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 1x4i s LEU 39 Cb 0.00 -0.38 0.08 0.00 0.03 0.00 0.00 46.19 45.92 1x4i s LEU 39 CO 0.00 -0.34 1.56 0.71 0.23 0.00 0.00 176.35 178.51 1x4i h THR 40 N 6.46 1.28 -4.32 5.49 1.35 -1.99 -3.43 112.91 117.73 1x4i h THR 40 Ca -0.15 -1.45 -0.18 0.00 -0.55 0.00 0.00 66.41 64.08 1x4i h THR 40 Cb 1.14 1.29 -0.14 0.00 -1.73 0.00 0.00 68.15 68.70 1x4i h THR 40 CO 0.31 0.49 -0.55 -1.83 -0.25 0.00 0.00 175.52 173.68 1x4i s GLU 41 N -4.51 1.07 0.17 4.72 1.03 -1.26 -5.12 118.70 114.80 1x4i s GLU 41 Ca -0.10 -1.42 -0.33 0.00 0.03 0.00 0.00 54.97 53.14 1x4i s GLU 41 Cb 0.12 0.29 -0.13 0.00 -0.80 0.00 0.00 34.13 33.61 1x4i s GLU 41 CO 0.86 -0.34 1.63 0.00 -1.33 0.00 0.00 175.26 176.07 1x4i n ALA 42 N -0.17 1.85 -2.09 -0.84 0.00 -1.26 -4.89 120.51 113.11 1x4i n ALA 42 Ca -0.04 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 1x4i n ALA 42 Cb 0.64 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 1x4i n ALA 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x4i s PRO 43 N 1.03 3.41 0.16 0.00 0.04 -1.26 -4.90 135.00 133.46 1x4i s PRO 43 Ca 0.78 1.31 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 1x4i s PRO 43 Cb -0.62 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 29.80 1x4i s PRO 43 CO 0.36 -1.77 1.61 0.87 0.04 0.00 0.00 177.00 178.11 1x4i h LYS 44 N 12.28 -0.28 0.00 4.56 1.79 -2.06 -3.42 116.57 129.44 1x4i h LYS 44 Ca -0.32 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1x4i h LYS 44 Cb 1.15 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1x4i h LYS 44 CO 1.04 -0.18 0.00 0.41 -1.08 0.00 0.00 179.45 179.64 1x4i n GLY 45 N -1.41 0.33 3.74 3.86 0.00 -1.26 -5.02 105.19 105.43 1x4i n GLY 45 Ca -0.00 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1x4i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4i s LYS 46 N 0.00 4.27 -0.11 1.61 -0.14 -1.26 -5.08 119.74 119.03 1x4i s LYS 46 Ca 0.00 0.35 0.02 0.00 -1.36 0.00 0.00 55.97 54.98 1x4i s LYS 46 Cb 0.00 -3.41 -0.01 0.00 -1.68 0.00 0.00 37.83 32.73 1x4i s LYS 46 CO 0.00 0.25 -0.16 -0.46 -0.76 0.00 0.00 175.35 174.21 1x4i s TRP 47 N 0.37 2.72 -0.19 3.18 -0.00 -1.26 -5.11 118.94 118.65 1x4i s TRP 47 Ca 0.23 -0.68 0.01 0.00 -0.00 0.00 0.00 56.10 55.66 1x4i s TRP 47 Cb -0.15 -1.77 0.02 0.00 -0.00 0.00 0.00 33.47 31.57 1x4i s TRP 47 CO 0.09 -0.21 -0.19 0.71 -0.00 0.00 0.00 176.95 177.35 1x4i s TYR 48 N 0.19 2.82 0.82 5.86 2.02 -1.26 -3.40 117.35 124.41 1x4i s TYR 48 Ca -0.10 -1.68 -0.16 0.00 -0.37 0.00 0.00 57.07 54.76 1x4i s TYR 48 Cb -0.16 -1.93 -0.09 0.00 -0.40 0.00 0.00 41.96 39.38 1x4i s TYR 48 CO 0.06 -0.81 -0.16 0.00 -1.57 0.00 0.00 175.55 173.07 1x4i n PRO 50 N 0.85 0.05 0.05 0.00 -0.04 -1.26 -2.35 135.00 132.31 1x4i n PRO 50 Ca 0.04 0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.73 1x4i n PRO 50 Cb 0.52 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 1x4i n PRO 50 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1x4i h GLN 51 N 0.00 0.01 0.00 0.54 4.20 -2.00 -3.23 115.11 114.63 1x4i h GLN 51 Ca 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1x4i h GLN 51 Cb 0.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1x4i h GLN 51 CO 0.00 0.96 -0.71 0.00 -0.67 0.00 0.00 178.83 178.40 1x4i h THR 53 N -1.00 0.32 -0.29 0.00 2.02 -1.65 0.86 112.91 113.18 1x4i h THR 53 Ca -0.13 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 1x4i h THR 53 Cb 0.78 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1x4i h THR 53 CO -0.08 0.03 -0.41 0.00 0.37 0.00 0.00 175.52 175.43 1x4i h ALA 54 N 1.50 0.73 0.04 6.16 0.00 -1.72 -1.15 119.26 124.82 1x4i h ALA 54 Ca 0.69 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1x4i h ALA 54 Cb 2.24 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.94 1x4i h ALA 54 CO -0.23 0.66 -0.66 0.00 0.00 0.00 0.00 179.25 179.03 1x4i h ALA 55 N 0.96 0.03 -0.25 0.00 0.00 0.49 -2.93 119.26 117.55 1x4i h ALA 55 Ca 0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1x4i h ALA 55 Cb 0.96 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1x4i h ALA 55 CO 0.09 0.36 -0.08 0.52 0.00 0.00 0.00 179.25 180.14 1x4i h MET 56 N -0.18 0.40 -0.33 0.00 2.86 -0.68 -2.41 114.93 114.59 1x4i h MET 56 Ca -0.09 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.31 1x4i h MET 56 Cb 1.40 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 1x4i h MET 56 CO 0.13 0.49 -0.36 0.87 1.06 0.00 0.00 176.91 179.10 1x4i h LYS 57 N 0.38 0.75 0.37 1.72 1.57 -1.26 -1.01 116.57 119.08 1x4i h LYS 57 Ca 0.08 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1x4i h LYS 57 Cb 0.38 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1x4i h LYS 57 CO 0.02 0.98 -0.18 0.00 -0.57 0.00 0.00 179.45 179.71 1x4i h ARG 58 N 0.62 -0.47 -0.13 3.15 3.08 -1.27 -3.11 114.38 116.26 1x4i h ARG 58 Ca 0.06 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.18 1x4i h ARG 58 Cb 0.89 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1x4i h ARG 58 CO 0.08 -0.32 0.14 0.07 -1.07 0.00 0.00 179.97 178.87 1x4i h ARG 59 N -0.64 0.00 -5.54 0.04 -0.00 -1.55 -3.42 114.38 103.28 1x4i h ARG 59 Ca -0.05 0.00 -0.59 0.00 -0.00 0.00 0.00 59.98 59.34 1x4i h ARG 59 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.30 1x4i h ARG 59 CO 0.08 0.00 1.57 0.41 -0.00 0.00 0.00 179.97 182.03 1x4i n GLY 60 N -1.38 -0.08 3.50 0.08 0.00 -0.38 -4.87 105.19 102.05 1x4i n GLY 60 Ca 0.00 1.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.92 1x4i n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4i s SER 61 N 8.50 -0.69 0.10 1.61 0.01 -1.26 -5.00 113.70 116.96 1x4i s SER 61 Ca 1.20 1.23 -0.33 0.00 1.31 0.00 0.00 55.95 59.36 1x4i s SER 61 Cb -1.04 1.19 -0.14 0.00 0.21 0.00 0.00 66.02 66.24 1x4i s SER 61 CO 0.49 -0.21 1.58 0.03 0.41 0.00 0.00 173.24 175.54 1x4i h ARG 62 N 5.96 -0.79 -5.23 12.44 2.47 -2.01 -3.40 114.38 123.82 1x4i h ARG 62 Ca -0.30 0.05 -0.63 0.00 -1.26 0.00 0.00 59.98 57.84 1x4i h ARG 62 Cb 1.19 0.18 -0.20 0.00 -1.65 0.00 0.00 29.97 29.49 1x4i h ARG 62 CO 0.16 -0.53 -0.62 -1.01 0.56 0.00 0.00 179.97 178.53 1x4i s HIS 63 N -5.92 3.12 -0.54 3.04 3.76 -1.26 -5.06 115.29 112.43 1x4i s HIS 63 Ca -0.17 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1x4i s HIS 63 Cb 0.06 -2.05 0.14 0.00 1.11 0.00 0.00 32.58 31.84 1x4i s HIS 63 CO 0.62 -0.03 0.31 0.21 -0.85 0.00 0.00 174.74 175.00 1x4i s LYS 64 N 0.59 1.87 0.26 1.40 2.20 -1.26 -5.08 119.74 119.72 1x4i s LYS 64 Ca 0.00 -2.61 -0.06 0.00 -0.36 0.00 0.00 55.97 52.94 1x4i s LYS 64 Cb -0.14 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1x4i s LYS 64 CO 0.02 -1.17 0.36 -1.12 -0.36 0.00 0.00 175.35 173.07 1x4i s SER 65 N -0.38 0.31 0.00 1.43 0.01 -1.26 -5.17 113.70 108.65 1x4i s SER 65 Ca 0.20 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1x4i s SER 65 Cb -0.19 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1x4i s SER 65 CO -0.05 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1x4i n GLY 66 N -0.40 4.07 3.67 3.44 0.00 -1.26 -5.07 105.19 109.64 1x4i n GLY 66 Ca 0.01 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1x4i n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4i s PRO 67 N -3.44 4.23 -0.06 1.61 0.04 -1.26 -4.90 135.00 131.22 1x4i s PRO 67 Ca 0.00 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 1x4i s PRO 67 Cb 0.00 -3.78 -0.12 0.00 0.04 0.00 0.00 34.50 30.63 1x4i s PRO 67 CO 0.00 -0.72 2.93 0.43 0.04 0.00 0.00 177.00 179.68 1x4i n SER 68 N 6.36 5.46 -4.77 6.66 7.64 -1.26 -4.93 113.62 128.78 1x4i n SER 68 Ca 0.15 -2.56 -0.33 0.00 1.01 0.00 0.00 58.87 57.15 1x4i n SER 68 Cb 0.43 -1.29 0.05 0.00 -1.01 0.00 0.00 64.21 62.40 1x4i n SER 68 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4i s SER 69 N 1.74 5.04 0.00 6.43 0.15 -1.26 -5.35 113.70 120.45 1x4i s SER 69 Ca 0.43 1.94 0.00 0.00 0.70 0.00 0.00 55.95 59.02 1x4i s SER 69 Cb 0.22 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1x4i s SER 69 CO -0.02 -1.68 0.00 0.61 1.20 0.00 0.00 173.24 173.35