#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5s s SER 2 N 0.00 5.90 -0.25 1.61 0.01 -1.26 -5.02 113.70 114.68 1x5s s SER 2 Ca 0.00 -1.74 -0.12 0.00 1.31 0.00 0.00 55.95 55.40 1x5s s SER 2 Cb 0.00 -2.09 0.09 0.00 0.21 0.00 0.00 66.02 64.23 1x5s s SER 2 CO 0.00 -0.72 0.59 -0.55 0.41 0.00 0.00 173.24 172.98 1x5s s SER 3 N 2.87 -0.83 0.00 2.44 0.15 -1.26 -3.10 113.70 113.97 1x5s s SER 3 Ca 0.04 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1x5s s SER 3 Cb -0.27 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1x5s s SER 3 CO 0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1x5s n GLY 4 N 4.69 -2.10 0.06 9.45 0.00 -1.26 -5.01 105.19 111.02 1x5s n GLY 4 Ca -0.18 0.82 -0.06 0.00 0.00 0.00 0.00 46.02 46.60 1x5s n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5s h SER 5 N 0.00 0.00 -3.78 1.61 0.02 -2.04 -3.48 113.55 105.88 1x5s h SER 5 Ca 0.00 -0.37 -0.18 0.00 -0.84 0.00 0.00 61.79 60.39 1x5s h SER 5 Cb 0.00 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.28 1x5s h SER 5 CO 0.00 0.72 -0.51 -0.44 -1.14 0.00 0.00 176.83 175.46 1x5s s SER 6 N -5.83 -0.19 0.00 3.07 0.01 -1.26 -4.95 113.70 104.55 1x5s s SER 6 Ca -0.08 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1x5s s SER 6 Cb -0.01 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1x5s s SER 6 CO 0.27 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1x5s n GLY 7 N 3.03 0.73 3.58 3.44 0.00 -1.26 -4.88 105.19 109.83 1x5s n GLY 7 Ca -0.13 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1x5s n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1x5s s MET 8 N -2.26 -0.47 -0.33 1.61 0.00 -1.26 -4.13 119.30 112.46 1x5s s MET 8 Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 55.69 56.22 1x5s s MET 8 Cb 0.00 -1.63 0.25 0.00 0.00 0.00 0.00 34.83 33.45 1x5s s MET 8 CO 0.00 -3.35 1.94 0.00 0.00 0.00 0.00 175.02 173.61 1x5s n ALA 9 N -4.61 5.06 -2.74 3.16 0.00 -1.18 -4.82 120.51 115.38 1x5s n ALA 9 Ca 0.05 -1.77 -0.43 0.00 0.00 0.00 0.00 53.44 51.29 1x5s n ALA 9 Cb 0.57 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1x5s n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x5s s SER 10 N -0.03 6.83 -0.18 0.00 0.01 -1.26 -4.81 113.70 114.26 1x5s s SER 10 Ca 0.33 -2.41 -0.29 0.00 1.31 0.00 0.00 55.95 54.89 1x5s s SER 10 Cb 0.26 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 64.13 1x5s s SER 10 CO 0.00 -1.07 1.02 1.51 0.41 0.00 0.00 173.24 175.11 1x5s s ASP 11 N 3.82 -0.37 -0.20 2.44 1.47 -1.26 -5.07 116.67 117.50 1x5s s ASP 11 Ca 0.46 0.46 -0.03 0.00 1.18 0.00 0.00 52.55 54.62 1x5s s ASP 11 Cb 0.00 0.38 -0.20 0.00 -0.34 0.00 0.00 42.92 42.75 1x5s s ASP 11 CO 0.00 -0.30 0.01 -1.84 0.68 0.00 0.00 175.17 173.72 1x5s n GLU 12 N 0.96 0.69 -0.38 2.11 0.28 -1.26 -3.95 120.64 119.09 1x5s n GLU 12 Ca -0.10 0.21 0.32 0.00 -0.16 0.00 0.00 57.16 57.43 1x5s n GLU 12 Cb 0.58 -1.60 0.54 0.00 1.43 0.00 0.00 31.44 32.39 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x5s n GLY 13 N 2.09 -0.67 3.73 -1.84 0.00 -1.26 -4.19 105.19 103.04 1x5s n GLY 13 Ca -0.40 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1x5s n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5s s LYS 14 N -4.93 4.66 0.17 1.61 2.20 -1.26 -3.63 119.74 118.56 1x5s s LYS 14 Ca -0.06 1.51 0.06 0.00 -0.36 0.00 0.00 55.97 57.11 1x5s s LYS 14 Cb 0.25 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1x5s s LYS 14 CO 0.66 0.15 0.10 -0.51 -0.36 0.00 0.00 175.35 175.38 1x5s s LEU 15 N 0.07 3.67 -0.24 5.43 1.43 -1.24 -1.43 118.68 126.35 1x5s s LEU 15 Ca 0.48 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1x5s s LEU 15 Cb -0.24 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.71 1x5s s LEU 15 CO 0.30 0.07 -0.08 0.12 0.23 0.00 0.00 176.35 177.00 1x5s s PHE 16 N -1.75 3.04 -0.10 0.29 5.36 0.48 -3.68 117.98 121.62 1x5s s PHE 16 Ca 0.30 -1.57 -0.02 0.00 -0.96 0.00 0.00 56.93 54.68 1x5s s PHE 16 Cb -0.10 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1x5s s PHE 16 CO 0.22 -0.74 -0.03 0.08 -1.46 0.00 0.00 175.22 173.29 1x5s s VAL 17 N 1.32 3.99 0.17 3.12 1.01 -1.11 -2.67 120.40 126.23 1x5s s VAL 17 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.71 1x5s s VAL 17 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1x5s s VAL 17 CO -0.05 0.57 -0.16 -0.83 0.00 0.00 0.00 175.10 174.62 1x5s s GLY 18 N -0.46 1.34 -0.63 4.51 0.00 -1.21 -2.07 107.32 108.81 1x5s s GLY 18 Ca 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1x5s s GLY 18 CO 0.02 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.17 1x5s n GLY 19 N 0.16 0.61 3.74 0.20 0.00 0.14 -3.36 105.19 106.69 1x5s n GLY 19 Ca -0.12 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1x5s n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5s n LEU 20 N -0.78 4.31 -4.16 0.99 4.77 0.12 -4.54 117.00 117.72 1x5s n LEU 20 Ca -0.07 1.13 -0.25 0.00 -0.03 0.00 0.00 56.01 56.79 1x5s n LEU 20 Cb 0.32 -1.59 0.21 0.00 -2.33 0.00 0.00 43.42 40.03 1x5s n LEU 20 CO 0.09 0.18 0.07 -0.24 -1.33 0.00 0.00 177.39 176.16 1x5s n SER 21 N 2.62 -3.15 0.09 -1.43 2.88 -1.26 -4.67 113.62 108.70 1x5s n SER 21 Ca 0.10 -0.47 -0.01 0.00 -1.33 0.00 0.00 58.87 57.16 1x5s n SER 21 Cb 0.36 -0.91 -0.04 0.00 -0.75 0.00 0.00 64.21 62.88 1x5s n SER 21 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1x5s h PHE 22 N -2.88 0.00 -0.40 0.66 -0.00 -1.97 -3.21 116.94 109.15 1x5s h PHE 22 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.60 1x5s h PHE 22 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 1x5s h PHE 22 CO -2.46 0.68 0.00 -3.47 -0.00 0.00 0.00 178.31 173.05 1x5s n ASP 23 N -3.20 2.83 -4.55 -0.68 2.03 -1.26 -4.85 116.55 106.86 1x5s n ASP 23 Ca -0.01 -1.92 -0.42 0.00 0.52 0.00 0.00 54.79 52.95 1x5s n ASP 23 Cb 0.82 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 1x5s n ASP 23 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5s s THR 24 N -1.48 4.03 0.48 5.18 2.01 -1.21 -4.85 115.64 119.79 1x5s s THR 24 Ca 0.37 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.98 1x5s s THR 24 Cb 0.20 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 1x5s s THR 24 CO 0.28 -1.44 0.07 0.54 -0.69 0.00 0.00 174.62 173.38 1x5s s ASN 25 N 3.19 4.17 0.28 3.53 2.20 -1.26 -4.88 114.94 122.17 1x5s s ASN 25 Ca 0.37 -1.48 -0.01 0.00 -0.94 0.00 0.00 52.86 50.80 1x5s s ASN 25 Cb -0.09 0.19 0.63 0.00 -2.00 0.00 0.00 41.25 39.98 1x5s s ASN 25 CO 0.21 -0.76 1.61 -0.33 -2.94 0.00 0.00 177.10 174.89 1x5s h GLU 26 N 1.38 0.09 0.79 3.55 5.08 -1.94 -0.98 114.58 122.55 1x5s h GLU 26 Ca -0.43 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1x5s h GLU 26 Cb 1.29 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1x5s h GLU 26 CO 0.73 0.06 -0.39 0.37 -1.00 0.00 0.00 179.01 178.78 1x5s h GLN 27 N 0.10 -1.04 -0.42 2.33 5.75 -1.97 -2.00 115.11 117.85 1x5s h GLN 27 Ca 0.52 0.07 0.04 0.00 -0.15 0.00 0.00 58.65 59.13 1x5s h GLN 27 Cb 1.01 0.24 -0.07 0.00 1.07 0.00 0.00 27.48 29.73 1x5s h GLN 27 CO -0.76 -0.69 -0.41 0.77 -2.65 0.00 0.00 178.83 175.09 1x5s h SER 28 N -1.08 -1.41 -0.76 -0.69 0.02 -1.60 0.24 113.55 108.26 1x5s h SER 28 Ca -0.11 0.19 0.15 0.00 -0.84 0.00 0.00 61.79 61.19 1x5s h SER 28 Cb 0.83 0.59 -0.14 0.00 0.14 0.00 0.00 62.40 63.82 1x5s h SER 28 CO 0.17 -0.25 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.33 1x5s h LEU 29 N -0.20 -0.76 0.86 5.07 3.38 -1.26 -0.26 115.31 122.14 1x5s h LEU 29 Ca 0.07 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1x5s h LEU 29 Cb 0.39 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1x5s h LEU 29 CO -0.50 -0.26 -0.48 -0.08 0.09 0.00 0.00 178.44 177.21 1x5s h GLU 30 N -0.01 -1.19 -0.11 1.13 4.22 -0.28 0.33 114.58 118.66 1x5s h GLU 30 Ca 0.36 0.08 0.03 0.00 0.08 0.00 0.00 59.36 59.92 1x5s h GLU 30 Cb 0.56 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1x5s h GLU 30 CO -0.79 -0.80 0.54 1.96 -2.18 0.00 0.00 179.01 177.74 1x5s h GLN 31 N -1.24 0.00 0.00 1.92 4.20 0.37 0.30 115.11 120.66 1x5s h GLN 31 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1x5s h GLN 31 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1x5s h GLN 31 CO 0.15 0.00 0.00 0.28 -0.67 0.00 0.00 178.83 178.59 1x5s n VAL 32 N -2.94 0.00 0.28 -0.54 0.31 -0.20 -4.19 118.33 111.05 1x5s n VAL 32 Ca 0.01 0.36 0.12 0.00 -0.01 0.00 0.00 64.34 64.82 1x5s n VAL 32 Cb 0.61 -1.25 0.56 0.00 -0.91 0.00 0.00 33.84 32.85 1x5s n VAL 32 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1x5s h PHE 33 N 0.00 0.00 -0.35 3.52 -1.00 -0.20 0.51 116.94 119.42 1x5s h PHE 33 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1x5s h PHE 33 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1x5s h PHE 33 CO 0.00 0.00 -0.16 1.03 -1.61 0.00 0.00 178.31 177.57 1x5s h SER 34 N 0.00 0.62 1.30 2.17 0.87 -0.58 -0.38 113.55 117.56 1x5s h SER 34 Ca 0.05 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1x5s h SER 34 Cb 1.21 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x5s h SER 34 CO -0.00 0.80 -0.15 0.11 -0.53 0.00 0.00 176.83 177.06 1x5s h LYS 35 N 0.57 0.00 0.08 2.24 1.79 -0.13 -3.17 116.57 117.96 1x5s h LYS 35 Ca 0.09 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.26 1x5s h LYS 35 Cb 0.60 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1x5s h LYS 35 CO 0.04 0.15 -1.63 1.88 -1.08 0.00 0.00 179.45 178.81 1x5s h TYR 36 N 0.00 0.33 -0.18 -1.35 -1.99 -1.41 -3.50 116.97 108.86 1x5s h TYR 36 Ca -0.00 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1x5s h TYR 36 Cb 0.84 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.56 1x5s h TYR 36 CO 0.00 1.35 0.00 0.41 -0.00 0.00 0.00 178.16 179.92 1x5s n GLY 37 N 1.68 1.99 3.88 3.88 0.00 -0.20 -4.71 105.19 111.72 1x5s n GLY 37 Ca -0.18 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1x5s n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5s s GLN 38 N 1.61 3.63 0.22 1.61 1.11 -1.26 -4.22 119.66 122.36 1x5s s GLN 38 Ca 0.00 -0.03 0.08 0.00 0.01 0.00 0.00 55.36 55.42 1x5s s GLN 38 Cb 0.00 -3.02 -0.05 0.00 -1.01 0.00 0.00 33.01 28.93 1x5s s GLN 38 CO 0.00 0.60 -0.14 0.42 0.01 0.00 0.00 175.29 176.18 1x5s s ILE 39 N -1.39 1.81 0.00 1.08 1.01 -1.26 -4.45 121.20 118.00 1x5s s ILE 39 Ca 0.31 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 58.74 1x5s s ILE 39 Cb -0.13 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1x5s s ILE 39 CO 0.18 -0.54 0.00 -0.24 0.00 0.00 0.00 174.94 174.34 1x5s n SER 40 N -0.43 2.41 -3.55 3.58 2.88 0.46 -4.28 113.62 114.69 1x5s n SER 40 Ca -0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.38 1x5s n SER 40 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x5s s GLU 41 N -1.85 0.63 0.05 -1.46 2.12 -0.60 -4.96 118.70 112.63 1x5s s GLU 41 Ca 0.00 -0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.32 1x5s s GLU 41 Cb 0.00 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 1x5s s GLU 41 CO 0.00 -0.24 -0.19 0.08 -0.54 0.00 0.00 175.26 174.37 1x5s s VAL 42 N -2.11 1.53 -0.14 3.70 1.01 -1.26 0.86 120.40 123.98 1x5s s VAL 42 Ca 0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 1x5s s VAL 42 Cb -0.01 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1x5s s VAL 42 CO -0.04 0.10 -0.02 -0.69 0.00 0.00 0.00 175.10 174.45 1x5s s VAL 43 N -0.89 0.76 -0.30 2.92 1.01 0.15 -4.97 120.40 119.08 1x5s s VAL 43 Ca 0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1x5s s VAL 43 Cb -0.09 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1x5s s VAL 43 CO 0.02 0.12 0.20 -0.69 0.00 0.00 0.00 175.10 174.75 1x5s s VAL 44 N 1.79 5.21 0.00 2.92 1.01 -1.26 -1.34 120.40 128.73 1x5s s VAL 44 Ca 0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1x5s s VAL 44 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1x5s s VAL 44 CO -0.07 0.15 1.08 0.54 0.00 0.00 0.00 175.10 176.80 1x5s s VAL 45 N 1.73 4.53 0.12 2.92 0.11 -1.18 -4.99 120.40 123.64 1x5s s VAL 45 Ca 0.07 1.81 -0.00 0.00 -2.93 0.00 0.00 61.98 60.93 1x5s s VAL 45 Cb -0.16 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 1x5s s VAL 45 CO 0.10 0.11 0.02 -0.54 -3.33 0.00 0.00 175.10 171.46 1x5s s LYS 46 N 1.26 0.90 1.15 1.54 1.02 -1.26 -0.68 119.74 123.67 1x5s s LYS 46 Ca 0.54 -1.41 -0.19 0.00 0.02 0.00 0.00 55.97 54.93 1x5s s LYS 46 Cb -0.24 0.08 0.27 0.00 -0.52 0.00 0.00 37.83 37.42 1x5s s LYS 46 CO 0.27 -0.18 1.16 0.34 -0.92 0.00 0.00 175.35 176.02 1x5s s ASP 47 N -3.05 1.39 -0.02 2.83 2.15 -1.19 -4.86 116.67 113.92 1x5s s ASP 47 Ca 0.20 0.53 0.19 0.00 0.43 0.00 0.00 52.55 53.90 1x5s s ASP 47 Cb 0.07 -0.72 -0.28 0.00 -0.30 0.00 0.00 42.92 41.69 1x5s s ASP 47 CO -0.01 -3.82 0.45 -1.14 -0.17 0.00 0.00 175.17 170.48 1x5s n ARG 48 N -4.54 0.61 -0.13 4.34 0.63 -1.26 -3.14 116.66 113.17 1x5s n ARG 48 Ca 0.14 -0.15 -0.27 0.00 -0.92 0.00 0.00 57.85 56.64 1x5s n ARG 48 Cb 0.59 -1.44 -0.10 0.00 0.45 0.00 0.00 32.46 31.97 1x5s n ARG 48 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1x5s n GLU 49 N -2.08 0.58 0.02 -0.14 2.13 -1.26 -4.58 120.64 115.30 1x5s n GLU 49 Ca -0.03 0.23 0.11 0.00 0.66 0.00 0.00 57.16 58.14 1x5s n GLU 49 Cb 0.47 -1.46 0.01 0.00 0.27 0.00 0.00 31.44 30.73 1x5s n GLU 49 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1x5s n THR 50 N -4.05 0.10 -4.01 6.31 5.66 -1.26 -4.96 114.28 112.07 1x5s n THR 50 Ca -0.51 -0.18 -0.32 0.00 -3.05 0.00 0.00 64.05 59.98 1x5s n THR 50 Cb 0.89 0.37 -0.05 0.00 -1.55 0.00 0.00 70.33 69.99 1x5s n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5s n GLN 51 N -1.83 -1.79 -4.25 1.09 1.13 -1.19 -4.87 117.38 105.68 1x5s n GLN 51 Ca 0.02 0.19 -0.35 0.00 -1.94 0.00 0.00 57.00 54.92 1x5s n GLN 51 Cb 0.41 -4.80 -0.09 0.00 0.11 0.00 0.00 30.24 25.88 1x5s n GLN 51 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1x5s s ARG 52 N -6.68 3.11 -0.30 -1.09 6.06 -1.26 -4.67 118.95 114.12 1x5s s ARG 52 Ca 0.63 -0.34 -0.42 0.00 -2.50 0.00 0.00 55.73 53.10 1x5s s ARG 52 Cb -0.36 -2.90 -0.18 0.00 0.06 0.00 0.00 34.95 31.58 1x5s s ARG 52 CO 0.78 0.71 1.61 0.43 -2.50 0.00 0.00 175.30 176.33 1x5s n SER 53 N 2.13 1.75 0.13 -2.12 7.64 -1.26 -3.17 113.62 118.72 1x5s n SER 53 Ca -0.19 1.12 0.02 0.00 1.01 0.00 0.00 58.87 60.84 1x5s n SER 53 Cb 0.54 -1.04 0.38 0.00 -1.01 0.00 0.00 64.21 63.08 1x5s n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x5s h ARG 54 N 5.93 0.20 0.00 1.43 2.47 -1.25 -3.46 114.38 119.70 1x5s h ARG 54 Ca -0.46 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1x5s h ARG 54 Cb 1.35 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1x5s h ARG 54 CO 0.93 0.38 0.00 0.41 0.56 0.00 0.00 179.97 182.25 1x5s n GLY 55 N -0.79 0.86 3.39 0.04 0.00 -1.26 -4.99 105.19 102.44 1x5s n GLY 55 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1x5s n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x5s s PHE 56 N -1.34 -0.27 0.00 1.61 -0.71 -1.26 0.24 117.98 116.24 1x5s s PHE 56 Ca 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 1x5s s PHE 56 Cb 0.00 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.18 1x5s s PHE 56 CO 0.00 -0.79 0.00 0.41 -1.34 0.00 0.00 175.22 173.50 1x5s n GLY 57 N -0.29 3.71 3.59 1.99 0.00 -0.88 -3.09 105.19 110.22 1x5s n GLY 57 Ca -0.15 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1x5s n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x5s s PHE 58 N -2.23 -0.94 -0.28 1.61 0.40 -0.45 -2.75 117.98 113.35 1x5s s PHE 58 Ca 0.00 1.97 0.03 0.00 -0.60 0.00 0.00 56.93 58.33 1x5s s PHE 58 Cb 0.00 0.51 0.07 0.00 0.51 0.00 0.00 43.02 44.11 1x5s s PHE 58 CO 0.00 -0.47 -0.07 0.08 0.70 0.00 0.00 175.22 175.46 1x5s s VAL 59 N 1.30 2.14 -0.20 -0.44 1.01 -1.24 0.32 120.40 123.30 1x5s s VAL 59 Ca -0.08 -1.76 -0.29 0.00 0.00 0.00 0.00 61.98 59.85 1x5s s VAL 59 Cb -0.05 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1x5s s VAL 59 CO -0.14 -0.16 1.15 -0.89 0.00 0.00 0.00 175.10 175.06 1x5s s THR 60 N 1.08 4.48 -0.09 3.92 2.01 0.25 -3.72 115.64 123.57 1x5s s THR 60 Ca -0.05 1.79 -0.19 0.00 0.31 0.00 0.00 61.69 63.55 1x5s s THR 60 Cb -0.20 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1x5s s THR 60 CO -0.06 -0.16 0.50 -0.36 -0.69 0.00 0.00 174.62 173.86 1x5s s PHE 61 N 3.34 3.56 0.22 4.92 0.40 -1.24 0.17 117.98 129.35 1x5s s PHE 61 Ca 0.49 0.97 -0.12 0.00 -0.60 0.00 0.00 56.93 57.67 1x5s s PHE 61 Cb -0.18 -2.55 0.28 0.00 0.51 0.00 0.00 43.02 41.07 1x5s s PHE 61 CO 0.10 0.23 1.37 0.39 0.70 0.00 0.00 175.22 178.01 1x5s n GLU 62 N 3.38 -0.16 -4.11 0.44 1.02 -1.26 -4.47 120.64 115.48 1x5s n GLU 62 Ca -0.07 1.36 -0.23 0.00 -0.02 0.00 0.00 57.16 58.20 1x5s n GLU 62 Cb 0.52 -2.02 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1x5s n GLU 62 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x5s s ASN 63 N -5.29 4.71 -0.06 1.62 -0.87 -1.26 -5.05 114.94 108.74 1x5s s ASN 63 Ca -0.12 -0.74 -0.24 0.00 -1.57 0.00 0.00 52.86 50.19 1x5s s ASN 63 Cb 0.20 -0.76 -0.26 0.00 -0.02 0.00 0.00 41.25 40.41 1x5s s ASN 63 CO 0.65 -0.26 0.95 0.40 -2.57 0.00 0.00 177.10 176.27 1x5s h ILE 64 N 1.57 1.57 -0.06 0.60 2.04 -1.95 -3.17 117.51 118.11 1x5s h ILE 64 Ca -0.44 -2.20 0.02 0.00 1.00 0.00 0.00 64.86 63.24 1x5s h ILE 64 Cb 1.25 2.98 -0.00 0.00 -0.74 0.00 0.00 36.82 40.31 1x5s h ILE 64 CO 0.63 0.61 0.20 0.44 0.00 0.00 0.00 178.15 180.02 1x5s h ASP 65 N -0.51 0.00 0.50 1.72 3.32 -1.97 0.40 116.42 119.88 1x5s h ASP 65 Ca -0.06 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.69 1x5s h ASP 65 Cb 1.21 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.77 1x5s h ASP 65 CO 0.08 0.00 -1.36 0.44 -1.72 0.00 0.00 179.24 176.68 1x5s h ASP 66 N 0.00 0.55 -0.24 6.45 3.32 -1.94 -2.34 116.42 122.22 1x5s h ASP 66 Ca 0.03 -0.61 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 1x5s h ASP 66 Cb 0.43 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1x5s h ASP 66 CO -0.00 1.48 0.05 0.00 -1.72 0.00 0.00 179.24 179.05 1x5s h ALA 67 N 0.44 0.31 -0.26 3.45 0.00 -0.90 -2.26 119.26 120.03 1x5s h ALA 67 Ca -0.19 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1x5s h ALA 67 Cb 2.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1x5s h ALA 67 CO 0.22 -0.03 -0.54 1.57 0.00 0.00 0.00 179.25 180.47 1x5s h LYS 68 N 0.20 0.79 -0.80 0.00 2.10 -1.59 0.39 116.57 117.66 1x5s h LYS 68 Ca 0.07 -0.50 0.06 0.00 -2.00 0.00 0.00 60.65 58.29 1x5s h LYS 68 Cb 0.29 0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.62 1x5s h LYS 68 CO 0.00 1.12 0.52 0.22 -2.00 0.00 0.00 179.45 179.32 1x5s h ASP 69 N 0.61 0.77 0.30 7.07 1.82 -1.35 -2.48 116.42 123.16 1x5s h ASP 69 Ca 0.01 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.33 1x5s h ASP 69 Cb 1.13 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.94 1x5s h ASP 69 CO 0.12 0.50 -1.88 0.00 -1.61 0.00 0.00 179.24 176.37 1x5s n ALA 70 N -2.43 1.24 -0.28 -0.78 0.00 -0.86 -3.95 120.51 113.45 1x5s n ALA 70 Ca 0.12 -0.72 0.08 0.00 0.00 0.00 0.00 53.44 52.92 1x5s n ALA 70 Cb 0.21 -0.73 0.23 0.00 0.00 0.00 0.00 19.45 19.15 1x5s n ALA 70 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1x5s h MET 71 N 0.03 0.45 -0.02 0.00 1.85 0.11 0.33 114.93 117.67 1x5s h MET 71 Ca -0.36 -0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 58.60 1x5s h MET 71 Cb 2.03 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.94 1x5s h MET 71 CO 0.08 0.29 -0.48 0.52 -0.40 0.00 0.00 176.91 176.92 1x5s h MET 72 N 0.46 0.05 0.13 0.39 2.86 -1.62 0.42 114.93 117.62 1x5s h MET 72 Ca 0.47 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.07 1x5s h MET 72 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1x5s h MET 72 CO -0.44 0.52 -0.06 0.00 1.06 0.00 0.00 176.91 177.99 1x5s h ALA 73 N 1.48 -0.18 -0.18 6.32 0.00 -0.66 -3.34 119.26 122.70 1x5s h ALA 73 Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1x5s h ALA 73 Cb 0.86 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1x5s h ALA 73 CO 0.06 -0.28 -0.47 0.52 0.00 0.00 0.00 179.25 179.08 1x5s h MET 74 N -0.82 0.64 -4.29 0.00 2.86 -0.63 -3.42 114.93 109.27 1x5s h MET 74 Ca -0.02 -0.45 -0.40 0.00 -2.06 0.00 0.00 59.70 56.78 1x5s h MET 74 Cb 0.55 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.19 1x5s h MET 74 CO 0.03 1.07 1.57 -1.71 1.06 0.00 0.00 176.91 178.92 1x5s n ASN 75 N -4.19 -0.12 -0.32 1.22 5.15 0.15 0.14 115.26 117.29 1x5s n ASN 75 Ca -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 1x5s n ASN 75 Cb 0.58 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5s n GLY 76 N 5.37 0.97 3.69 8.20 0.00 -1.26 -4.79 105.19 117.37 1x5s n GLY 76 Ca 0.57 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1x5s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s s LYS 77 N -3.19 2.15 -0.29 1.61 -0.14 0.38 -5.04 119.74 115.22 1x5s s LYS 77 Ca 0.00 -1.87 0.02 0.00 -1.36 0.00 0.00 55.97 52.76 1x5s s LYS 77 Cb 0.00 -1.91 0.07 0.00 -1.68 0.00 0.00 37.83 34.31 1x5s s LYS 77 CO 0.00 -0.04 -0.05 -1.54 -0.76 0.00 0.00 175.35 172.96 1x5s s SER 78 N -3.83 4.62 -0.19 2.83 1.04 -1.26 -3.72 113.70 113.20 1x5s s SER 78 Ca 0.38 -1.54 -0.13 0.00 0.48 0.00 0.00 55.95 55.15 1x5s s SER 78 Cb 0.04 -1.61 -0.05 0.00 0.10 0.00 0.00 66.02 64.51 1x5s s SER 78 CO 0.21 -0.25 0.26 0.54 0.98 0.00 0.00 173.24 174.97 1x5s s VAL 79 N 1.10 5.32 -1.30 5.02 0.11 -1.26 -4.26 120.40 125.11 1x5s s VAL 79 Ca -0.04 0.44 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1x5s s VAL 79 Cb -0.20 -3.59 0.02 0.00 -1.53 0.00 0.00 36.38 31.08 1x5s s VAL 79 CO -0.05 0.36 0.24 -0.67 -3.33 0.00 0.00 175.10 171.65 1x5s n ASP 80 N 3.90 -4.54 -1.71 3.54 2.03 -1.26 -2.28 116.55 116.23 1x5s n ASP 80 Ca -0.13 -0.07 -0.04 0.00 0.52 0.00 0.00 54.79 55.08 1x5s n ASP 80 Cb 0.52 -3.77 0.02 0.00 -0.72 0.00 0.00 41.12 37.16 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5s n GLY 81 N -1.06 0.35 2.28 0.27 0.00 -1.26 -5.08 105.19 100.69 1x5s n GLY 81 Ca -0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1x5s n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s n ARG 82 N -1.79 0.78 -2.01 1.61 5.12 -0.96 -5.08 116.66 114.32 1x5s n ARG 82 Ca -0.04 -2.35 -0.03 0.00 -1.93 0.00 0.00 57.85 53.50 1x5s n ARG 82 Cb 0.53 1.15 0.06 0.00 -1.16 0.00 0.00 32.46 33.05 1x5s n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x5s n GLN 83 N -0.66 1.65 -1.48 5.56 10.64 -1.26 -4.27 117.38 127.56 1x5s n GLN 83 Ca -0.06 -3.23 -0.30 0.00 -1.83 0.00 0.00 57.00 51.59 1x5s n GLN 83 Cb 0.41 -1.33 0.10 0.00 -0.86 0.00 0.00 30.24 28.56 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1x5s s ILE 84 N -2.90 2.96 -0.05 -0.39 -4.36 -1.24 -4.98 121.20 110.24 1x5s s ILE 84 Ca 0.35 0.31 0.02 0.00 -0.26 0.00 0.00 60.65 61.07 1x5s s ILE 84 Cb 0.36 -3.01 0.02 0.00 1.25 0.00 0.00 42.46 41.08 1x5s s ILE 84 CO -0.06 -0.41 -0.07 -0.13 0.24 0.00 0.00 174.94 174.51 1x5s s ARG 85 N -5.11 1.10 -0.20 0.37 0.52 -1.21 -3.56 118.95 110.85 1x5s s ARG 85 Ca 0.61 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 55.50 1x5s s ARG 85 Cb -0.15 -1.00 -0.05 0.00 0.52 0.00 0.00 34.95 34.27 1x5s s ARG 85 CO 0.55 -0.02 0.11 0.08 0.02 0.00 0.00 175.30 176.04 1x5s s VAL 86 N 0.71 5.20 0.14 3.52 1.01 -1.26 -3.31 120.40 126.41 1x5s s VAL 86 Ca -0.11 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1x5s s VAL 86 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1x5s s VAL 86 CO 0.01 0.43 0.25 1.51 0.00 0.00 0.00 175.10 177.31 1x5s s ASP 87 N 0.47 0.07 0.36 3.32 1.47 -1.09 -3.64 116.67 117.63 1x5s s ASP 87 Ca 0.06 -0.81 -0.28 0.00 1.18 0.00 0.00 52.55 52.70 1x5s s ASP 87 Cb -0.12 0.41 -0.11 0.00 -0.34 0.00 0.00 42.92 42.76 1x5s s ASP 87 CO -0.00 -0.84 1.48 0.00 0.68 0.00 0.00 175.17 176.48 1x5s s GLN 88 N -3.94 4.13 -0.72 2.11 -2.07 -1.26 -0.39 119.66 117.52 1x5s s GLN 88 Ca 0.14 2.54 -0.01 0.00 -1.82 0.00 0.00 55.36 56.20 1x5s s GLN 88 Cb 0.04 -2.98 0.40 0.00 -1.09 0.00 0.00 33.01 29.37 1x5s s GLN 88 CO -0.03 -0.51 1.92 0.00 -1.32 0.00 0.00 175.29 175.35 1x5s n ALA 89 N 0.66 6.27 -0.58 2.60 0.00 -0.52 -4.49 120.51 124.45 1x5s n ALA 89 Ca 0.02 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1x5s n ALA 89 Cb 0.39 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1x5s n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x5s n GLY 90 N -0.68 0.64 3.89 0.00 0.00 -1.25 -4.70 105.19 103.08 1x5s n GLY 90 Ca 0.55 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 1x5s n GLY 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5s n LYS 91 N -1.23 -5.60 -4.21 1.61 3.00 -1.26 -4.70 118.16 105.78 1x5s n LYS 91 Ca 0.00 0.61 -0.15 0.00 -0.00 0.00 0.00 58.31 58.77 1x5s n LYS 91 Cb 0.00 -5.48 -0.11 0.00 0.00 0.00 0.00 35.03 29.44 1x5s n LYS 91 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1x5s s SER 92 N -3.39 1.65 -0.32 3.14 0.01 -1.26 -5.06 113.70 108.48 1x5s s SER 92 Ca 0.62 -0.86 0.07 0.00 1.31 0.00 0.00 55.95 57.09 1x5s s SER 92 Cb -0.31 -0.01 0.45 0.00 0.21 0.00 0.00 66.02 66.36 1x5s s SER 92 CO 0.83 -0.25 1.17 -1.54 0.41 0.00 0.00 173.24 173.86 1x5s n SER 93 N 0.39 4.83 -4.58 2.44 3.41 -1.26 -5.07 113.62 113.77 1x5s n SER 93 Ca -0.15 -3.71 -0.62 0.00 -0.26 0.00 0.00 58.87 54.13 1x5s n SER 93 Cb 0.58 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 1x5s n SER 93 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x5s n ASP 94 N -0.67 0.42 -0.07 4.04 -0.08 -1.26 -4.89 116.55 114.05 1x5s n ASP 94 Ca 0.42 1.17 -0.06 0.00 -1.51 0.00 0.00 54.79 54.82 1x5s n ASP 94 Cb 0.91 -0.91 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1x5s n ASP 94 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1x5s h ASN 95 N 3.69 0.00 -2.00 1.67 -0.73 -2.07 -3.48 115.58 112.66 1x5s h ASN 95 Ca -0.49 -0.14 0.10 0.00 1.87 0.00 0.00 56.30 57.64 1x5s h ASN 95 Cb 1.41 0.00 -0.23 0.00 0.27 0.00 0.00 38.32 39.77 1x5s h ASN 95 CO 0.76 0.76 0.09 -0.60 -0.37 0.00 0.00 177.43 178.06 1x5s s ARG 96 N -1.99 0.49 0.74 6.67 3.52 -1.26 -5.17 118.95 121.95 1x5s s ARG 96 Ca -0.11 1.08 -0.11 0.00 -0.13 0.00 0.00 55.73 56.46 1x5s s ARG 96 Cb 0.01 0.48 0.03 0.00 -1.56 0.00 0.00 34.95 33.91 1x5s s ARG 96 CO 0.22 -0.14 1.08 -1.54 -0.81 0.00 0.00 175.30 174.10 1x5s s SER 97 N 2.27 4.93 -0.07 -2.12 1.04 -1.26 -4.95 113.70 113.54 1x5s s SER 97 Ca -0.06 1.72 -0.30 0.00 0.48 0.00 0.00 55.95 57.79 1x5s s SER 97 Cb -0.08 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1x5s s SER 97 CO -0.18 -1.75 1.59 -0.83 0.98 0.00 0.00 173.24 173.05 1x5s s GLY 98 N -3.59 1.56 0.00 7.32 0.00 -1.26 -5.00 107.32 106.35 1x5s s GLY 98 Ca 0.60 0.87 0.00 0.00 0.00 0.00 0.00 44.72 46.18 1x5s s GLY 98 CO 0.56 2.94 0.00 -1.55 0.00 0.00 0.00 173.10 175.04 1x5s n PRO 99 N 6.98 -0.94 -0.04 2.90 -0.04 -1.26 -5.05 135.00 137.55 1x5s n PRO 99 Ca 0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1x5s n PRO 99 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 1x5s n PRO 99 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5s n SER 100 N -2.89 0.59 -4.94 3.54 3.41 -1.26 -5.08 113.62 107.00 1x5s n SER 100 Ca 0.00 0.10 -0.23 0.00 -0.26 0.00 0.00 58.87 58.48 1x5s n SER 100 Cb 0.00 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 1x5s n SER 100 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5s s SER 101 N -5.71 4.88 0.00 4.04 0.01 -1.26 -5.36 113.70 110.29 1x5s s SER 101 Ca -0.11 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1x5s s SER 101 Cb 0.04 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1x5s s SER 101 CO 0.14 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.31