#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 -0.06 0.25 1.61 0.01 -1.26 -5.19 113.70 109.06 1x5s s SER 2 Ca 0.00 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.49 1x5s s SER 2 Cb 0.00 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 1x5s s SER 2 CO 0.00 -0.96 0.25 -0.44 0.41 0.00 0.00 173.24 172.50 1x5s s SER 3 N -2.94 0.51 0.00 2.44 0.01 -1.26 -5.17 113.70 107.29 1x5s s SER 3 Ca 0.15 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1x5s s SER 3 Cb 0.02 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1x5s s SER 3 CO -0.00 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1x5s n GLY 4 N -0.39 3.91 3.70 3.44 0.00 -1.26 -5.19 105.19 109.40 1x5s n GLY 4 Ca 0.02 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 1x5s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5s s SER 5 N 0.00 -0.09 0.33 1.61 0.01 -1.26 -5.19 113.70 109.10 1x5s s SER 5 Ca 0.00 -0.26 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 1x5s s SER 5 Cb 0.00 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.53 1x5s s SER 5 CO 0.00 -0.54 0.52 -0.44 0.41 0.00 0.00 173.24 173.18 1x5s s SER 6 N -3.04 0.54 0.06 2.44 0.01 -1.26 -5.19 113.70 107.26 1x5s s SER 6 Ca 0.15 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 56.11 1x5s s SER 6 Cb 0.02 0.67 -0.00 0.00 0.21 0.00 0.00 66.02 66.92 1x5s s SER 6 CO -0.01 -1.31 0.06 0.61 0.41 0.00 0.00 173.24 173.00 1x5s n GLY 7 N -0.51 3.62 3.43 3.44 0.00 -1.26 -5.18 105.19 108.73 1x5s n GLY 7 Ca -0.01 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 1x5s n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5s s MET 8 N -2.21 1.66 -0.54 1.61 -1.94 -1.26 -5.06 119.30 111.55 1x5s s MET 8 Ca 0.07 -1.94 -0.38 0.00 -1.71 0.00 0.00 55.69 51.73 1x5s s MET 8 Cb 0.00 -0.64 -0.16 0.00 2.01 0.00 0.00 34.83 36.04 1x5s s MET 8 CO 0.05 -0.29 2.27 0.00 -0.01 0.00 0.00 175.02 177.04 1x5s n ALA 9 N -0.68 0.54 -3.83 3.03 0.00 -1.26 -4.83 120.51 113.47 1x5s n ALA 9 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1x5s n ALA 9 Cb 0.66 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.80 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 7.31 -0.04 -0.07 0.00 0.01 -1.26 -4.87 113.70 114.78 1x5s s SER 10 Ca 1.18 -0.88 -0.05 0.00 1.31 0.00 0.00 55.95 57.52 1x5s s SER 10 Cb -1.18 0.70 -0.22 0.00 0.21 0.00 0.00 66.02 65.53 1x5s s SER 10 CO 0.55 -1.36 3.07 -0.90 0.41 0.00 0.00 173.24 175.01 1x5s n ASP 11 N -1.18 4.49 -0.26 2.44 5.68 -1.26 -4.52 116.55 121.95 1x5s n ASP 11 Ca -0.06 -2.32 -0.01 0.00 -0.50 0.00 0.00 54.79 51.90 1x5s n ASP 11 Cb 0.60 -1.19 0.11 0.00 -1.14 0.00 0.00 41.12 39.50 1x5s n ASP 11 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1x5s h GLU 12 N 3.62 0.81 -0.99 0.11 4.39 -1.90 -2.47 114.58 118.14 1x5s h GLU 12 Ca 0.19 -0.05 0.35 0.00 0.34 0.00 0.00 59.36 60.19 1x5s h GLU 12 Cb 1.21 -0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 29.57 1x5s h GLU 12 CO 0.35 0.53 0.63 0.41 -1.16 0.00 0.00 179.01 179.78 1x5s n GLY 13 N -1.30 -0.61 3.71 -3.84 0.00 -1.26 -4.12 105.19 97.76 1x5s n GLY 13 Ca 0.09 0.56 -0.42 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.82 4.55 -0.06 1.61 2.20 -0.93 -2.50 119.74 119.79 1x5s s LYS 14 Ca -0.05 1.46 0.03 0.00 -0.36 0.00 0.00 55.97 57.05 1x5s s LYS 14 Cb 0.23 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 1x5s s LYS 14 CO 0.60 -0.07 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.88 1x5s s LEU 15 N 0.98 2.80 -0.37 5.43 1.43 -1.25 -2.92 118.68 124.79 1x5s s LEU 15 Ca 0.53 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 1x5s s LEU 15 Cb -0.22 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1x5s s LEU 15 CO 0.28 0.32 0.80 0.12 0.23 0.00 0.00 176.35 178.10 1x5s s PHE 16 N -0.60 3.11 -0.15 0.29 5.36 0.60 -3.94 117.98 122.65 1x5s s PHE 16 Ca 0.09 0.57 0.02 0.00 -0.96 0.00 0.00 56.93 56.64 1x5s s PHE 16 Cb -0.11 -3.43 0.01 0.00 -0.34 0.00 0.00 43.02 39.15 1x5s s PHE 16 CO 0.01 -0.75 -0.21 0.08 -1.46 0.00 0.00 175.22 172.90 1x5s s VAL 17 N 3.14 2.15 0.13 3.12 1.01 -0.67 -1.66 120.40 127.61 1x5s s VAL 17 Ca 0.32 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1x5s s VAL 17 Cb -0.13 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1x5s s VAL 17 CO 0.17 0.54 -0.15 -0.83 0.00 0.00 0.00 175.10 174.84 1x5s s GLY 18 N 0.91 1.12 0.00 4.51 0.00 -1.22 -1.16 107.32 111.48 1x5s s GLY 18 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1x5s s GLY 18 CO -0.04 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1x5s n GLY 19 N 0.53 3.45 2.44 0.20 0.00 0.51 -2.56 105.19 109.76 1x5s n GLY 19 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -0.45 -4.64 0.99 4.77 -1.09 -4.72 117.00 111.86 1x5s n LEU 20 Ca 0.00 0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 56.39 1x5s n LEU 20 Cb 0.00 -0.66 0.02 0.00 -2.33 0.00 0.00 43.42 40.45 1x5s n LEU 20 CO 0.00 -1.74 0.68 -0.24 -1.33 0.00 0.00 177.39 174.76 1x5s n SER 21 N 1.24 1.57 -0.21 -1.43 2.88 -1.26 -4.55 113.62 111.85 1x5s n SER 21 Ca 0.13 1.00 0.02 0.00 -1.33 0.00 0.00 58.87 58.69 1x5s n SER 21 Cb 0.12 -1.41 0.12 0.00 -0.75 0.00 0.00 64.21 62.28 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 1.43 0.06 0.00 0.66 -0.00 -1.86 0.50 116.94 117.73 1x5s h PHE 22 Ca -0.47 0.04 -0.01 0.00 -0.00 0.00 0.00 57.97 57.53 1x5s h PHE 22 Cb 1.33 0.07 -0.00 0.00 -0.00 0.00 0.00 35.95 37.35 1x5s h PHE 22 CO 0.43 -0.13 -0.07 0.22 -0.00 0.00 0.00 178.31 178.77 1x5s h ASP 23 N 0.17 0.00 -1.70 -0.68 3.58 -1.90 -3.42 116.42 112.48 1x5s h ASP 23 Ca 0.34 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 57.11 1x5s h ASP 23 Cb 0.55 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.67 1x5s h ASP 23 CO -0.51 0.07 0.25 0.41 -2.88 0.00 0.00 179.24 176.58 1x5s n THR 24 N -3.59 0.60 -4.45 2.25 -1.04 0.18 -4.98 114.28 103.26 1x5s n THR 24 Ca -0.02 -0.15 -0.21 0.00 -2.04 0.00 0.00 64.05 61.62 1x5s n THR 24 Cb 0.18 -0.68 -0.11 0.00 -1.82 0.00 0.00 70.33 67.91 1x5s n THR 24 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1x5s s ASN 25 N 0.07 2.37 0.10 8.00 -0.87 -1.26 -4.79 114.94 118.56 1x5s s ASN 25 Ca 0.78 -1.37 -0.29 0.00 -1.57 0.00 0.00 52.86 50.41 1x5s s ASN 25 Cb -0.94 -0.09 -0.11 0.00 -0.02 0.00 0.00 41.25 40.10 1x5s s ASN 25 CO 0.52 -0.60 1.47 -0.33 -2.57 0.00 0.00 177.10 175.60 1x5s h GLU 26 N 2.13 -0.47 -0.22 -0.60 3.07 -1.98 -2.28 114.58 114.23 1x5s h GLU 26 Ca -0.41 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.53 1x5s h GLU 26 Cb 1.24 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 29.19 1x5s h GLU 26 CO 0.69 -0.31 -0.45 0.37 -1.40 0.00 0.00 179.01 177.91 1x5s h GLN 27 N -0.49 -0.44 -0.93 2.33 4.15 -2.00 -1.62 115.11 116.12 1x5s h GLN 27 Ca 0.03 0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.64 1x5s h GLN 27 Cb 0.58 0.10 -0.16 0.00 0.21 0.00 0.00 27.48 28.21 1x5s h GLN 27 CO -0.39 -0.29 -0.30 0.43 -1.93 0.00 0.00 178.83 176.35 1x5s n SER 28 N -5.43 -0.47 -0.02 -0.69 7.64 -0.96 0.31 113.62 114.01 1x5s n SER 28 Ca -0.03 1.61 -0.09 0.00 1.01 0.00 0.00 58.87 61.36 1x5s n SER 28 Cb 0.36 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1x5s n SER 28 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1x5s h LEU 29 N 0.00 -0.51 0.12 -3.43 3.38 -0.75 -2.38 115.31 111.73 1x5s h LEU 29 Ca 0.38 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.46 1x5s h LEU 29 Cb 0.61 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1x5s h LEU 29 CO -0.94 -0.21 -0.20 -0.08 0.09 0.00 0.00 178.44 177.11 1x5s h GLU 30 N -0.19 -0.37 -1.28 1.13 4.81 0.18 0.34 114.58 119.20 1x5s h GLU 30 Ca 0.11 0.03 0.37 0.00 -0.13 0.00 0.00 59.36 59.74 1x5s h GLU 30 Cb 0.35 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1x5s h GLU 30 CO -0.28 -0.25 0.92 1.96 -0.73 0.00 0.00 179.01 180.63 1x5s h GLN 31 N -0.39 0.01 0.00 1.92 4.20 -0.57 0.38 115.11 120.67 1x5s h GLN 31 Ca 0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1x5s h GLN 31 Cb 0.40 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1x5s h GLN 31 CO -0.10 0.01 0.00 0.28 -0.67 0.00 0.00 178.83 178.34 1x5s n VAL 32 N -4.17 0.00 -0.32 -0.54 0.31 -0.52 -4.23 118.33 108.86 1x5s n VAL 32 Ca 0.28 0.35 0.28 0.00 -0.01 0.00 0.00 64.34 65.24 1x5s n VAL 32 Cb 1.33 -1.23 0.53 0.00 -0.91 0.00 0.00 33.84 33.57 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 0.76 -0.89 3.52 -1.00 -0.29 0.82 116.94 119.86 1x5s h PHE 33 Ca 0.00 0.04 0.19 0.00 2.81 0.00 0.00 57.97 61.01 1x5s h PHE 33 Cb 0.00 -0.16 -0.11 0.00 3.61 0.00 0.00 35.95 39.29 1x5s h PHE 33 CO 0.00 -0.41 0.44 1.03 -1.61 0.00 0.00 178.31 177.76 1x5s h SER 34 N 0.07 0.47 0.13 2.17 0.87 -0.39 0.60 113.55 117.46 1x5s h SER 34 Ca 0.80 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 61.47 1x5s h SER 34 Cb 2.02 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 64.04 1x5s h SER 34 CO -0.75 0.11 -0.06 0.11 -0.53 0.00 0.00 176.83 175.71 1x5s h LYS 35 N 0.53 0.00 0.23 2.24 1.57 0.50 -2.47 116.57 119.17 1x5s h LYS 35 Ca 0.53 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 59.00 1x5s h LYS 35 Cb 0.90 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.25 1x5s h LYS 35 CO -0.45 0.06 -1.36 1.88 -0.57 0.00 0.00 179.45 179.02 1x5s h TYR 36 N 0.00 0.88 -1.91 -1.35 -1.99 0.16 -3.49 116.97 109.27 1x5s h TYR 36 Ca -0.00 -0.64 0.01 0.00 2.00 0.00 0.00 58.73 60.10 1x5s h TYR 36 Cb 0.15 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 1x5s h TYR 36 CO 0.00 1.52 0.06 0.41 -0.00 0.00 0.00 178.16 180.15 1x5s n GLY 37 N 1.72 1.52 3.69 3.88 0.00 -0.50 -4.76 105.19 110.74 1x5s n GLY 37 Ca -0.17 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1x5s n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5s s GLN 38 N -2.01 4.41 0.15 1.61 0.74 -1.26 -4.13 119.66 119.17 1x5s s GLN 38 Ca 0.03 1.14 0.03 0.00 0.05 0.00 0.00 55.36 56.61 1x5s s GLN 38 Cb -0.00 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 1x5s s GLN 38 CO 0.01 -0.17 0.24 0.42 -0.55 0.00 0.00 175.29 175.24 1x5s s ILE 39 N 1.54 5.09 -0.01 -2.34 1.01 -1.26 -4.48 121.20 120.74 1x5s s ILE 39 Ca 0.43 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 1x5s s ILE 39 Cb -0.18 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1x5s s ILE 39 CO 0.18 -0.09 -0.01 -0.24 0.00 0.00 0.00 174.94 174.78 1x5s n SER 40 N -0.45 3.29 -3.48 3.58 2.88 0.01 -4.77 113.62 114.67 1x5s n SER 40 Ca -0.07 -0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.34 1x5s n SER 40 Cb 0.54 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 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 -2.03 1.03 0.13 -1.46 2.12 -0.62 -4.98 118.70 112.89 1x5s s GLU 41 Ca -0.02 -0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.17 1x5s s GLU 41 Cb 0.01 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 34.84 1x5s s GLU 41 CO 0.03 -0.42 -0.17 0.08 -0.54 0.00 0.00 175.26 174.24 1x5s s VAL 42 N -2.81 1.59 -0.09 3.70 1.01 -1.26 0.13 120.40 122.67 1x5s s VAL 42 Ca -0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.24 1x5s s VAL 42 Cb -0.01 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1x5s s VAL 42 CO -0.06 -0.27 0.18 -0.69 0.00 0.00 0.00 175.10 174.26 1x5s s VAL 43 N -1.76 -0.22 -0.13 2.92 1.01 0.61 -4.95 120.40 117.89 1x5s s VAL 43 Ca 0.10 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1x5s s VAL 43 Cb -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1x5s s VAL 43 CO 0.05 0.12 -0.21 -0.69 0.00 0.00 0.00 175.10 174.37 1x5s s VAL 44 N 1.97 2.25 -0.39 2.92 1.01 -1.26 -0.66 120.40 126.25 1x5s s VAL 44 Ca -0.01 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1x5s s VAL 44 Cb -0.12 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1x5s s VAL 44 CO -0.06 0.54 1.12 -0.69 0.00 0.00 0.00 175.10 176.01 1x5s s VAL 45 N 0.63 4.36 0.05 2.92 1.01 -1.25 -5.02 120.40 123.10 1x5s s VAL 45 Ca -0.11 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.43 1x5s s VAL 45 Cb -0.16 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.71 1x5s s VAL 45 CO 0.02 -0.71 -0.17 -0.54 0.00 0.00 0.00 175.10 173.71 1x5s s LYS 46 N 4.03 1.10 0.94 2.72 1.02 -1.26 -2.65 119.74 125.64 1x5s s LYS 46 Ca 0.47 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.49 1x5s s LYS 46 Cb -0.10 -1.16 0.19 0.00 -0.52 0.00 0.00 37.83 36.24 1x5s s LYS 46 CO 0.23 0.29 0.43 -3.47 -0.92 0.00 0.00 175.35 171.91 1x5s n ASP 47 N 1.81 -3.01 -0.03 2.83 2.03 -1.24 -4.81 116.55 114.13 1x5s n ASP 47 Ca -0.18 -0.44 -0.00 0.00 0.52 0.00 0.00 54.79 54.69 1x5s n ASP 47 Cb 0.54 -0.69 -0.08 0.00 -0.72 0.00 0.00 41.12 40.17 1x5s n ASP 47 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1x5s n ARG 48 N -1.87 1.44 -0.08 -0.67 1.85 -1.26 -3.51 116.66 112.56 1x5s n ARG 48 Ca 0.07 -0.05 -0.14 0.00 -1.00 0.00 0.00 57.85 56.74 1x5s n ARG 48 Cb 0.30 -1.25 -0.14 0.00 -1.05 0.00 0.00 32.46 30.32 1x5s n ARG 48 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1x5s n GLU 49 N -2.12 0.68 -0.09 2.89 1.02 -1.26 -4.52 120.64 117.23 1x5s n GLU 49 Ca -0.09 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 1x5s n GLU 49 Cb 0.56 -1.60 -0.16 0.00 -0.02 0.00 0.00 31.44 30.22 1x5s n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1x5s n THR 50 N -3.06 1.29 -3.87 2.62 -2.24 -1.26 -5.01 114.28 102.75 1x5s n THR 50 Ca -0.34 -0.83 -0.25 0.00 -2.27 0.00 0.00 64.05 60.36 1x5s n THR 50 Cb 1.07 -0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1x5s n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5s n GLN 51 N -2.71 -4.22 -4.92 -0.78 3.00 -1.23 -4.94 117.38 101.58 1x5s n GLN 51 Ca -0.31 0.51 -0.31 0.00 -0.01 0.00 0.00 57.00 56.88 1x5s n GLN 51 Cb 1.12 -4.96 -0.14 0.00 0.00 0.00 0.00 30.24 26.26 1x5s n GLN 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1x5s s ARG 52 N -6.38 2.01 -0.30 -1.09 3.52 -1.26 -4.84 118.95 110.61 1x5s s ARG 52 Ca 0.16 -0.99 -0.34 0.00 -0.13 0.00 0.00 55.73 54.42 1x5s s ARG 52 Cb -0.08 -2.09 -0.10 0.00 -1.56 0.00 0.00 34.95 31.12 1x5s s ARG 52 CO 0.85 0.54 2.18 0.43 -0.81 0.00 0.00 175.30 178.49 1x5s n SER 53 N 1.90 2.45 0.20 -2.12 7.64 -1.26 -3.72 113.62 118.71 1x5s n SER 53 Ca -0.17 0.40 -0.09 0.00 1.01 0.00 0.00 58.87 60.03 1x5s n SER 53 Cb 0.52 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.34 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 12.75 -0.54 0.00 1.43 2.47 -1.84 -3.45 114.38 125.20 1x5s h ARG 54 Ca -0.32 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1x5s h ARG 54 Cb 1.30 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1x5s h ARG 54 CO 1.00 -0.36 0.00 0.41 0.56 0.00 0.00 179.97 181.58 1x5s n GLY 55 N -1.29 0.00 3.84 0.04 0.00 -1.26 -4.82 105.19 101.70 1x5s n GLY 55 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.09 0.00 1.61 -0.71 -1.26 -0.36 117.98 117.35 1x5s s PHE 56 Ca 0.00 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 1x5s s PHE 56 Cb 0.00 0.78 0.00 0.00 -1.21 0.00 0.00 43.02 42.59 1x5s s PHE 56 CO 0.00 -1.30 0.00 0.41 -1.34 0.00 0.00 175.22 172.99 1x5s n GLY 57 N -0.60 -0.62 3.03 1.99 0.00 -0.31 -3.97 105.19 104.72 1x5s n GLY 57 Ca -0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 -0.22 -0.28 1.61 0.40 0.17 -1.67 117.98 115.99 1x5s s PHE 58 Ca 0.00 0.55 -0.04 0.00 -0.60 0.00 0.00 56.93 56.84 1x5s s PHE 58 Cb 0.00 0.03 0.02 0.00 0.51 0.00 0.00 43.02 43.58 1x5s s PHE 58 CO 0.00 -0.14 0.03 0.08 0.70 0.00 0.00 175.22 175.88 1x5s s VAL 59 N 0.59 3.47 -0.17 -0.44 1.01 -1.25 -0.28 120.40 123.33 1x5s s VAL 59 Ca -0.04 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 1x5s s VAL 59 Cb -0.06 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1x5s s VAL 59 CO -0.03 0.07 1.35 -0.89 0.00 0.00 0.00 175.10 175.60 1x5s s THR 60 N 1.40 4.13 -0.24 3.92 2.01 0.34 -3.84 115.64 123.36 1x5s s THR 60 Ca 0.00 1.35 -0.11 0.00 0.31 0.00 0.00 61.69 63.24 1x5s s THR 60 Cb -0.17 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1x5s s THR 60 CO -0.00 -0.17 0.20 -0.36 -0.69 0.00 0.00 174.62 173.59 1x5s s PHE 61 N 3.77 3.31 0.16 4.92 0.40 -1.04 -0.81 117.98 128.69 1x5s s PHE 61 Ca 0.59 0.26 -0.16 0.00 -0.60 0.00 0.00 56.93 57.01 1x5s s PHE 61 Cb -0.23 -2.32 0.09 0.00 0.51 0.00 0.00 43.02 41.06 1x5s s PHE 61 CO 0.19 0.02 1.71 1.05 0.70 0.00 0.00 175.22 178.88 1x5s h GLU 62 N 7.63 0.12 -4.23 0.44 4.11 -1.86 -3.35 114.58 117.44 1x5s h GLU 62 Ca -0.37 -0.01 -0.75 0.00 0.07 0.00 0.00 59.36 58.30 1x5s h GLU 62 Cb 1.17 -0.03 -0.23 0.00 0.50 0.00 0.00 28.75 30.16 1x5s h GLU 62 CO 0.65 0.08 -0.23 -0.80 0.07 0.00 0.00 179.01 178.78 1x5s s ASN 63 N -5.27 6.18 0.25 3.06 0.02 -1.26 -4.94 114.94 112.98 1x5s s ASN 63 Ca -0.13 -1.58 0.12 0.00 -1.02 0.00 0.00 52.86 50.25 1x5s s ASN 63 Cb 0.13 -2.21 0.86 0.00 0.02 0.00 0.00 41.25 40.05 1x5s s ASN 63 CO 0.71 -0.80 1.13 -0.38 0.02 0.00 0.00 177.10 177.77 1x5s n ILE 64 N 5.26 -0.30 -0.03 0.60 5.41 -1.26 0.15 119.36 129.20 1x5s n ILE 64 Ca -0.13 1.48 -0.08 0.00 1.00 0.00 0.00 62.75 65.02 1x5s n ILE 64 Cb 0.42 -2.35 -0.02 0.00 -0.71 0.00 0.00 39.64 36.98 1x5s n ILE 64 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1x5s h ASP 65 N 0.00 -0.56 -0.41 4.38 3.58 -1.93 -2.14 116.42 119.34 1x5s h ASP 65 Ca 0.56 0.11 0.08 0.00 0.42 0.00 0.00 57.03 58.20 1x5s h ASP 65 Cb 1.43 0.28 -0.07 0.00 1.72 0.00 0.00 39.33 42.69 1x5s h ASP 65 CO -0.58 -0.22 -0.01 -0.78 -2.88 0.00 0.00 179.24 174.77 1x5s h ASP 66 N -0.19 -0.18 -0.74 2.28 1.82 0.99 -0.20 116.42 120.20 1x5s h ASP 66 Ca 0.12 0.10 0.17 0.00 -0.39 0.00 0.00 57.03 57.03 1x5s h ASP 66 Cb 0.37 0.18 -0.12 0.00 0.68 0.00 0.00 39.33 40.43 1x5s h ASP 66 CO -0.31 -0.05 0.06 0.00 -1.61 0.00 0.00 179.24 177.32 1x5s h ALA 67 N 1.37 0.83 -0.09 -0.78 0.00 -1.22 0.17 119.26 119.54 1x5s h ALA 67 Ca 0.20 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1x5s h ALA 67 Cb 0.29 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x5s h ALA 67 CO -0.35 -0.40 -0.07 0.87 0.00 0.00 0.00 179.25 179.30 1x5s h LYS 68 N 0.15 0.20 -0.84 0.00 1.57 -1.00 0.54 116.57 117.18 1x5s h LYS 68 Ca 0.41 -0.10 0.16 0.00 -1.87 0.00 0.00 60.65 59.25 1x5s h LYS 68 Cb 0.72 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 1x5s h LYS 68 CO -0.61 0.61 0.55 0.22 -0.57 0.00 0.00 179.45 179.65 1x5s h ASP 69 N -0.20 0.49 0.65 0.86 3.58 0.16 -0.25 116.42 121.72 1x5s h ASP 69 Ca 0.02 0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.34 1x5s h ASP 69 Cb 0.56 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1x5s h ASP 69 CO 0.02 0.24 -1.46 0.00 -2.88 0.00 0.00 179.24 175.15 1x5s n ALA 70 N -2.49 2.00 -0.07 -0.78 0.00 0.48 -3.48 120.51 116.17 1x5s n ALA 70 Ca 0.17 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 1x5s n ALA 70 Cb 0.55 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 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 0.00 0.34 -0.19 0.00 1.85 0.18 -1.42 114.93 115.68 1x5s h MET 71 Ca -0.16 -0.08 -0.15 0.00 -0.61 0.00 0.00 59.70 58.70 1x5s h MET 71 Cb 1.54 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.52 1x5s h MET 71 CO 0.04 0.46 -0.50 0.52 -0.40 0.00 0.00 176.91 177.03 1x5s h MET 72 N 0.16 0.52 -0.15 0.39 2.07 -1.38 0.43 114.93 116.97 1x5s h MET 72 Ca 0.07 -0.31 -0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1x5s h MET 72 Cb 0.28 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 1x5s h MET 72 CO 0.00 0.90 0.08 0.00 1.07 0.00 0.00 176.91 178.96 1x5s h ALA 73 N 1.04 0.20 0.20 6.32 0.00 -1.56 -3.21 119.26 122.25 1x5s h ALA 73 Ca 0.02 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 1x5s h ALA 73 Cb 1.02 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.78 1x5s h ALA 73 CO 0.09 -0.25 -1.20 0.52 0.00 0.00 0.00 179.25 178.42 1x5s h MET 74 N 0.13 0.46 -3.81 0.00 2.86 -1.26 -3.43 114.93 109.88 1x5s h MET 74 Ca 0.05 -0.76 -0.35 0.00 -2.06 0.00 0.00 59.70 56.59 1x5s h MET 74 Cb 0.11 0.28 -0.08 0.00 0.06 0.00 0.00 31.60 31.97 1x5s h MET 74 CO -0.01 1.36 1.41 -1.71 1.06 0.00 0.00 176.91 179.03 1x5s n ASN 75 N -3.89 -0.22 -0.16 1.22 2.85 0.15 0.20 115.26 115.41 1x5s n ASN 75 Ca -0.15 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1x5s n ASN 75 Cb 0.98 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 41.40 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5s n GLY 76 N 4.71 1.05 3.48 8.20 0.00 -1.26 -4.83 105.19 116.53 1x5s n GLY 76 Ca 0.51 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.52 2.26 -0.51 1.61 -0.14 0.52 -5.06 119.74 115.90 1x5s s LYS 77 Ca 0.00 -0.86 -0.17 0.00 -1.36 0.00 0.00 55.97 53.57 1x5s s LYS 77 Cb 0.00 -2.28 0.08 0.00 -1.68 0.00 0.00 37.83 33.95 1x5s s LYS 77 CO 0.00 0.57 0.53 -1.54 -0.76 0.00 0.00 175.35 174.15 1x5s s SER 78 N -1.21 6.18 -0.77 2.83 1.04 -1.26 -4.10 113.70 116.41 1x5s s SER 78 Ca 0.14 -1.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.06 1x5s s SER 78 Cb -0.11 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.85 1x5s s SER 78 CO 0.04 -0.83 1.09 0.54 0.98 0.00 0.00 173.24 175.06 1x5s s VAL 79 N 2.11 4.30 -0.36 5.02 0.11 -1.26 -4.00 120.40 126.32 1x5s s VAL 79 Ca 0.08 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1x5s s VAL 79 Cb -0.24 -4.78 0.00 0.00 -1.53 0.00 0.00 36.38 29.84 1x5s s VAL 79 CO 0.08 -1.57 0.30 0.47 -3.33 0.00 0.00 175.10 171.05 1x5s n ASP 80 N 7.76 -2.60 -0.71 3.54 8.00 -1.26 -3.42 116.55 127.86 1x5s n ASP 80 Ca 0.08 -0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.33 1x5s n ASP 80 Cb 0.47 -1.78 -0.03 0.00 -0.02 0.00 0.00 41.12 39.77 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5s n GLY 81 N -0.98 0.74 4.00 0.44 0.00 -1.26 -5.02 105.19 103.11 1x5s n GLY 81 Ca -0.04 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 1x5s n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x5s s ARG 82 N -3.16 1.50 -0.20 1.61 0.52 -1.22 -5.05 118.95 112.95 1x5s s ARG 82 Ca 0.00 -1.17 0.19 0.00 -0.52 0.00 0.00 55.73 54.23 1x5s s ARG 82 Cb 0.00 -2.30 0.47 0.00 0.52 0.00 0.00 34.95 33.64 1x5s s ARG 82 CO 0.00 -1.59 1.16 0.00 0.02 0.00 0.00 175.30 174.88 1x5s n GLN 83 N -2.93 1.70 -1.46 3.54 -0.00 -1.26 -4.31 117.38 112.65 1x5s n GLN 83 Ca 0.16 -3.26 -0.29 0.00 -0.00 0.00 0.00 57.00 53.61 1x5s n GLN 83 Cb 0.61 -1.37 0.12 0.00 -0.00 0.00 0.00 30.24 29.61 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1x5s s ILE 84 N -2.98 2.48 -0.11 -0.39 -4.36 -1.26 -4.87 121.20 109.72 1x5s s ILE 84 Ca 0.35 0.16 -0.05 0.00 -0.26 0.00 0.00 60.65 60.85 1x5s s ILE 84 Cb 0.36 -2.84 0.05 0.00 1.25 0.00 0.00 42.46 41.28 1x5s s ILE 84 CO -0.06 -0.20 0.23 -0.60 0.24 0.00 0.00 174.94 174.55 1x5s s ARG 85 N -5.16 0.14 -0.19 0.37 3.52 -1.06 -3.94 118.95 112.64 1x5s s ARG 85 Ca 0.63 0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 56.72 1x5s s ARG 85 Cb -0.15 -0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.07 1x5s s ARG 85 CO 0.55 -0.24 0.23 0.08 -0.81 0.00 0.00 175.30 175.11 1x5s s VAL 86 N 1.88 5.34 0.19 7.11 1.01 -1.26 -3.41 120.40 131.26 1x5s s VAL 86 Ca -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1x5s s VAL 86 Cb -0.11 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1x5s s VAL 86 CO -0.08 0.38 0.19 -0.62 0.00 0.00 0.00 175.10 174.97 1x5s s ASP 87 N 0.63 0.13 -0.18 3.32 2.15 -0.66 -3.91 116.67 118.15 1x5s s ASP 87 Ca 0.12 -1.21 -0.29 0.00 0.43 0.00 0.00 52.55 51.60 1x5s s ASP 87 Cb -0.13 0.40 -0.05 0.00 -0.30 0.00 0.00 42.92 42.85 1x5s s ASP 87 CO 0.03 -0.87 1.91 -1.10 -0.17 0.00 0.00 175.17 174.96 1x5s s GLN 88 N -4.09 3.58 -0.16 4.34 -0.21 -1.26 -0.29 119.66 121.56 1x5s s GLN 88 Ca 0.30 1.94 -0.25 0.00 0.02 0.00 0.00 55.36 57.38 1x5s s GLN 88 Cb 0.05 -4.19 -0.22 0.00 1.00 0.00 0.00 33.01 29.65 1x5s s GLN 88 CO 0.08 -1.57 0.51 0.00 -2.12 0.00 0.00 175.29 172.19 1x5s h ALA 89 N 12.42 0.10 -0.80 6.09 0.00 -1.80 -3.44 119.26 131.83 1x5s h ALA 89 Ca -0.39 -0.74 -0.59 0.00 0.00 0.00 0.00 54.91 53.19 1x5s h ALA 89 Cb 1.20 0.29 0.06 0.00 0.00 0.00 0.00 17.79 19.34 1x5s h ALA 89 CO 0.98 0.27 -0.18 0.41 0.00 0.00 0.00 179.25 180.73 1x5s n GLY 90 N 1.55 -0.79 3.69 0.00 0.00 -1.21 -4.86 105.19 103.58 1x5s n GLY 90 Ca -0.18 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1x5s n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5s s LYS 91 N -0.38 4.37 0.24 1.61 -2.85 -1.26 -4.88 119.74 116.59 1x5s s LYS 91 Ca 0.62 0.96 -0.05 0.00 -1.00 0.00 0.00 55.97 56.51 1x5s s LYS 91 Cb -0.89 -3.51 0.44 0.00 -2.06 0.00 0.00 37.83 31.81 1x5s s LYS 91 CO 0.45 -0.13 1.73 1.03 0.10 0.00 0.00 175.35 178.53 1x5s h SER 92 N 7.06 0.25 -1.53 0.03 0.87 -1.94 -3.43 113.55 114.85 1x5s h SER 92 Ca -0.35 0.11 -0.64 0.00 -1.23 0.00 0.00 61.79 59.68 1x5s h SER 92 Cb 1.17 0.09 0.14 0.00 -0.44 0.00 0.00 62.40 63.36 1x5s h SER 92 CO 0.79 0.10 -0.77 -1.20 -0.53 0.00 0.00 176.83 175.21 1x5s n SER 93 N -5.01 -2.20 -3.64 6.23 7.64 -1.26 -4.88 113.62 110.49 1x5s n SER 93 Ca 0.14 0.92 -0.15 0.00 1.01 0.00 0.00 58.87 60.78 1x5s n SER 93 Cb 0.40 -0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 62.60 1x5s n SER 93 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x5s s ASP 94 N -0.99 0.86 -0.30 6.43 1.01 -1.26 -4.96 116.67 117.45 1x5s s ASP 94 Ca 0.61 -1.50 -0.14 0.00 0.71 0.00 0.00 52.55 52.23 1x5s s ASP 94 Cb -0.72 0.53 0.18 0.00 1.01 0.00 0.00 42.92 43.92 1x5s s ASP 94 CO 0.60 -1.06 1.06 0.21 0.21 0.00 0.00 175.17 176.19 1x5s s ASN 95 N -3.24 -0.44 0.27 0.27 3.84 -1.26 -5.18 114.94 109.19 1x5s s ASN 95 Ca 0.36 0.35 -0.01 0.00 0.21 0.00 0.00 52.86 53.77 1x5s s ASN 95 Cb 0.03 1.40 -0.02 0.00 -0.55 0.00 0.00 41.25 42.10 1x5s s ASN 95 CO 0.19 -0.08 0.29 -0.13 -2.79 0.00 0.00 177.10 174.58 1x5s s ARG 96 N 2.80 1.55 -0.29 0.43 0.52 -1.26 -5.18 118.95 117.52 1x5s s ARG 96 Ca -0.01 -1.71 -0.25 0.00 -0.52 0.00 0.00 55.73 53.24 1x5s s ARG 96 Cb -0.09 0.35 0.17 0.00 0.52 0.00 0.00 34.95 35.90 1x5s s ARG 96 CO -0.12 -0.58 1.29 0.45 0.02 0.00 0.00 175.30 176.36 1x5s s SER 97 N -3.21 -0.20 0.03 0.23 0.15 -1.26 -5.17 113.70 104.27 1x5s s SER 97 Ca 0.35 0.38 -0.07 0.00 0.70 0.00 0.00 55.95 57.31 1x5s s SER 97 Cb 0.03 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.67 1x5s s SER 97 CO 0.18 -0.07 0.30 -0.83 1.20 0.00 0.00 173.24 174.02 1x5s s GLY 98 N 0.07 2.27 1.23 9.45 0.00 -1.26 -5.10 107.32 113.98 1x5s s GLY 98 Ca 0.06 -0.54 -0.20 0.00 0.00 0.00 0.00 44.72 44.03 1x5s s GLY 98 CO -0.12 -0.36 1.11 2.56 0.00 0.00 0.00 173.10 176.29 1x5s s PRO 99 N -1.86 -1.48 -0.09 2.90 0.04 -1.26 -5.07 135.00 128.18 1x5s s PRO 99 Ca 0.30 -0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.19 1x5s s PRO 99 Cb -0.13 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.85 1x5s s PRO 99 CO 0.17 -3.87 -0.10 0.45 0.04 0.00 0.00 177.00 173.70 1x5s s SER 100 N -3.97 1.97 0.56 6.66 0.15 -1.26 -5.14 113.70 112.68 1x5s s SER 100 Ca 0.72 -0.31 -0.15 0.00 0.70 0.00 0.00 55.95 56.91 1x5s s SER 100 Cb -0.08 -0.84 -0.05 0.00 -1.71 0.00 0.00 66.02 63.33 1x5s s SER 100 CO 0.56 -0.03 1.02 -0.55 1.20 0.00 0.00 173.24 175.43 1x5s s SER 101 N 1.13 6.18 0.00 5.45 0.15 -1.26 -5.38 113.70 119.98 1x5s s SER 101 Ca -0.06 1.66 0.23 0.00 0.70 0.00 0.00 55.95 58.49 1x5s s SER 101 Cb -0.14 -2.52 0.18 0.00 -1.71 0.00 0.00 66.02 61.83 1x5s s SER 101 CO -0.02 -0.89 1.23 0.61 1.20 0.00 0.00 173.24 175.37