#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5s h SER 2 N 0.00 0.35 -3.36 1.61 0.02 -2.10 -3.47 113.55 106.60 1x5s h SER 2 Ca 0.00 -0.87 -0.15 0.00 -0.84 0.00 0.00 61.79 59.93 1x5s h SER 2 Cb 0.00 -0.11 -0.28 0.00 0.14 0.00 0.00 62.40 62.15 1x5s h SER 2 CO 0.00 1.49 -0.38 -0.55 -1.14 0.00 0.00 176.83 176.25 1x5s s SER 3 N -6.94 -0.38 0.00 3.07 0.15 -1.26 -5.17 113.70 103.17 1x5s s SER 3 Ca -0.18 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1x5s s SER 3 Cb 0.03 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1x5s s SER 3 CO 0.77 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1x5s n GLY 4 N 4.07 -1.23 3.05 9.45 0.00 -1.26 -5.10 105.19 114.16 1x5s n GLY 4 Ca -0.23 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1x5s n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5s s SER 5 N -1.28 -0.15 0.60 1.61 1.04 -1.26 -5.17 113.70 109.09 1x5s s SER 5 Ca 0.00 0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.79 1x5s s SER 5 Cb 0.00 0.32 0.10 0.00 0.10 0.00 0.00 66.02 66.54 1x5s s SER 5 CO 0.00 -0.09 0.83 -0.94 0.98 0.00 0.00 173.24 174.02 1x5s s SER 6 N -0.06 4.95 -1.14 7.02 1.04 -1.26 -5.00 113.70 119.25 1x5s s SER 6 Ca -0.01 -0.78 -0.21 0.00 0.48 0.00 0.00 55.95 55.42 1x5s s SER 6 Cb -0.02 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1x5s s SER 6 CO 0.00 -1.45 1.65 -0.83 0.98 0.00 0.00 173.24 173.59 1x5s s GLY 7 N -4.69 1.24 0.02 7.32 0.00 -1.26 -4.89 107.32 105.06 1x5s s GLY 7 Ca 0.63 -2.46 -0.21 0.00 0.00 0.00 0.00 44.72 42.67 1x5s s GLY 7 CO 0.40 2.84 0.48 -0.29 0.00 0.00 0.00 173.10 176.53 1x5s s MET 8 N 4.96 0.95 -0.42 2.90 -2.45 -1.26 -4.97 119.30 119.00 1x5s s MET 8 Ca 0.53 -0.17 -0.00 0.00 -1.25 0.00 0.00 55.69 54.79 1x5s s MET 8 Cb 0.01 0.43 -0.00 0.00 1.25 0.00 0.00 34.83 36.52 1x5s s MET 8 CO -0.00 -0.32 0.35 0.00 1.05 0.00 0.00 175.02 176.11 1x5s n ALA 9 N 0.67 -0.80 -1.71 4.11 0.00 -1.26 -4.97 120.51 116.55 1x5s n ALA 9 Ca -0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1x5s n ALA 9 Cb 0.59 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1x5s n ALA 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1x5s n SER 10 N -1.82 2.84 -3.22 0.00 3.41 -1.26 -5.00 113.62 108.56 1x5s n SER 10 Ca -0.09 1.17 -0.13 0.00 -0.26 0.00 0.00 58.87 59.55 1x5s n SER 10 Cb 0.56 -1.51 0.08 0.00 -0.26 0.00 0.00 64.21 63.07 1x5s n SER 10 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x5s n ASP 11 N 0.48 0.48 -0.02 4.04 9.92 -1.26 -5.05 116.55 125.13 1x5s n ASP 11 Ca 0.05 -1.48 -0.02 0.00 -0.53 0.00 0.00 54.79 52.81 1x5s n ASP 11 Cb 0.38 -0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 40.42 1x5s n ASP 11 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x5s n GLU 12 N -2.16 2.28 0.00 -1.24 1.02 -1.26 -4.89 120.64 114.39 1x5s n GLU 12 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1x5s n GLU 12 Cb 0.31 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x5s n GLY 13 N 2.96 2.63 3.75 0.62 0.00 -1.26 -4.70 105.19 109.18 1x5s n GLY 13 Ca -0.07 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 4.77 0.04 1.61 2.20 -1.26 -3.28 119.74 123.82 1x5s s LYS 14 Ca 0.00 1.58 0.05 0.00 -0.36 0.00 0.00 55.97 57.25 1x5s s LYS 14 Cb 0.00 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1x5s s LYS 14 CO 0.00 0.39 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.75 1x5s s LEU 15 N -1.09 2.92 -0.42 5.43 1.43 -1.25 -2.50 118.68 123.20 1x5s s LEU 15 Ca 0.43 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 1x5s s LEU 15 Cb -0.28 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1x5s s LEU 15 CO 0.34 0.25 0.29 0.12 0.23 0.00 0.00 176.35 177.58 1x5s s PHE 16 N -1.00 3.26 -0.16 0.29 5.36 0.58 -3.91 117.98 122.39 1x5s s PHE 16 Ca 0.17 -0.95 -0.02 0.00 -0.96 0.00 0.00 56.93 55.17 1x5s s PHE 16 Cb -0.11 -2.75 -0.01 0.00 -0.34 0.00 0.00 43.02 39.81 1x5s s PHE 16 CO 0.08 -0.70 -0.10 0.08 -1.46 0.00 0.00 175.22 173.12 1x5s s VAL 17 N 1.59 3.21 0.17 3.12 1.01 -0.66 -2.69 120.40 126.15 1x5s s VAL 17 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1x5s s VAL 17 Cb -0.21 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1x5s s VAL 17 CO 0.07 0.49 -0.15 -0.83 0.00 0.00 0.00 175.10 174.68 1x5s s GLY 18 N 0.73 1.28 0.00 4.51 0.00 -1.24 -0.77 107.32 111.83 1x5s s GLY 18 Ca -0.04 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.18 1x5s s GLY 18 CO 0.02 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1x5s n GLY 19 N 0.05 0.60 3.82 0.20 0.00 0.35 -3.10 105.19 107.11 1x5s n GLY 19 Ca -0.12 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1x5s n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5s s LEU 20 N 0.00 3.70 0.35 0.99 1.43 -0.39 -4.31 118.68 120.45 1x5s s LEU 20 Ca 0.00 1.70 -0.26 0.00 -1.03 0.00 0.00 54.13 54.54 1x5s s LEU 20 Cb 0.00 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 1x5s s LEU 20 CO 0.00 -0.68 1.07 -0.55 0.23 0.00 0.00 176.35 176.42 1x5s s SER 21 N -2.65 6.97 0.43 2.29 0.15 -1.26 -4.42 113.70 115.22 1x5s s SER 21 Ca 0.62 2.14 0.21 0.00 0.70 0.00 0.00 55.95 59.61 1x5s s SER 21 Cb -0.12 -2.60 1.16 0.00 -1.71 0.00 0.00 66.02 62.75 1x5s s SER 21 CO 0.27 -0.34 1.81 -0.26 1.20 0.00 0.00 173.24 175.92 1x5s h PHE 22 N 3.06 0.51 -0.05 3.44 0.04 -1.88 0.41 116.94 122.47 1x5s h PHE 22 Ca -0.48 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.15 1x5s h PHE 22 Cb 1.21 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 1x5s h PHE 22 CO 0.58 0.08 -0.68 -0.44 -0.60 0.00 0.00 178.31 177.26 1x5s h ASP 23 N 0.34 0.29 -1.18 2.17 5.19 -1.91 -3.38 116.42 117.93 1x5s h ASP 23 Ca 0.53 -0.18 -0.66 0.00 -0.62 0.00 0.00 57.03 56.10 1x5s h ASP 23 Cb 1.46 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.87 1x5s h ASP 23 CO -0.20 0.88 1.43 0.41 -3.12 0.00 0.00 179.24 178.63 1x5s n THR 24 N -3.82 0.20 -3.82 0.35 -1.04 0.14 -4.93 114.28 101.36 1x5s n THR 24 Ca -0.03 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.46 1x5s n THR 24 Cb 0.67 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.41 1x5s n THR 24 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x5s s ASN 25 N 7.42 4.72 0.56 8.00 2.20 -1.26 -4.84 114.94 131.74 1x5s s ASN 25 Ca 1.09 -1.08 0.30 0.00 -0.94 0.00 0.00 52.86 52.23 1x5s s ASN 25 Cb -0.80 0.00 1.46 0.00 -2.00 0.00 0.00 41.25 39.91 1x5s s ASN 25 CO 0.48 -0.90 1.87 -0.33 -2.94 0.00 0.00 177.10 175.28 1x5s h GLU 26 N 0.93 0.00 0.28 3.55 5.08 -1.95 -1.89 114.58 120.59 1x5s h GLU 26 Ca -0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1x5s h GLU 26 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1x5s h GLU 26 CO 0.59 0.00 -0.14 0.37 -1.00 0.00 0.00 179.01 178.83 1x5s h GLN 27 N 0.00 -0.37 -0.67 2.33 4.15 -1.97 -3.11 115.11 115.46 1x5s h GLN 27 Ca 0.35 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.88 1x5s h GLN 27 Cb 1.56 0.08 -0.11 0.00 0.21 0.00 0.00 27.48 29.22 1x5s h GLN 27 CO -0.00 -0.20 -0.47 0.77 -1.93 0.00 0.00 178.83 177.00 1x5s h SER 28 N -1.08 -1.63 -0.58 -0.69 0.02 -1.73 0.55 113.55 108.40 1x5s h SER 28 Ca -0.04 0.27 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 1x5s h SER 28 Cb 0.34 0.74 -0.11 0.00 0.14 0.00 0.00 62.40 63.50 1x5s h SER 28 CO 0.06 -0.32 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.15 1x5s h LEU 29 N -0.19 -0.75 0.39 5.07 3.38 -1.59 -1.84 115.31 119.79 1x5s h LEU 29 Ca 0.18 0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1x5s h LEU 29 Cb 0.55 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1x5s h LEU 29 CO -0.75 -0.24 -0.43 -0.08 0.09 0.00 0.00 178.44 177.03 1x5s h GLU 30 N -0.07 -0.82 -1.09 1.13 4.81 -0.89 0.16 114.58 117.82 1x5s h GLU 30 Ca 0.27 0.06 0.32 0.00 -0.13 0.00 0.00 59.36 59.87 1x5s h GLU 30 Cb 0.49 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1x5s h GLU 30 CO -0.63 -0.54 0.96 1.96 -0.73 0.00 0.00 179.01 180.02 1x5s h GLN 31 N -0.85 0.00 0.00 1.92 1.08 -0.35 0.66 115.11 117.57 1x5s h GLN 31 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1x5s h GLN 31 Cb 0.76 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1x5s h GLN 31 CO -0.08 0.00 0.00 0.28 -0.95 0.00 0.00 178.83 178.08 1x5s n VAL 32 N -3.75 0.00 0.27 -0.54 0.31 -0.39 -4.17 118.33 110.05 1x5s n VAL 32 Ca 0.24 0.43 0.09 0.00 -0.01 0.00 0.00 64.34 65.09 1x5s n VAL 32 Cb 1.31 -1.34 0.51 0.00 -0.91 0.00 0.00 33.84 33.41 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 -0.23 3.52 -1.00 -0.43 0.37 116.94 119.17 1x5s h PHE 33 Ca 0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1x5s h PHE 33 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1x5s h PHE 33 CO 0.00 0.00 -0.20 1.03 -1.61 0.00 0.00 178.31 177.53 1x5s h SER 34 N 0.00 0.40 1.09 2.17 0.87 0.20 -0.81 113.55 117.47 1x5s h SER 34 Ca 0.00 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1x5s h SER 34 Cb 0.86 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1x5s h SER 34 CO 0.00 0.62 -0.40 0.07 -0.53 0.00 0.00 176.83 176.58 1x5s h LYS 35 N 0.37 0.00 0.05 2.24 2.10 -0.42 -3.17 116.57 117.74 1x5s h LYS 35 Ca 0.06 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.45 1x5s h LYS 35 Cb 0.56 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1x5s h LYS 35 CO 0.04 0.40 -1.35 1.88 -2.00 0.00 0.00 179.45 178.42 1x5s h TYR 36 N 0.00 0.19 -2.14 0.07 -1.99 -1.48 -3.49 116.97 108.12 1x5s h TYR 36 Ca -0.00 -0.14 0.35 0.00 2.00 0.00 0.00 58.73 60.94 1x5s h TYR 36 Cb 1.06 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 39.71 1x5s h TYR 36 CO 0.00 1.15 0.90 0.41 -0.00 0.00 0.00 178.16 180.62 1x5s n GLY 37 N 1.51 0.21 3.70 3.88 0.00 -0.36 -4.74 105.19 109.39 1x5s n GLY 37 Ca -0.10 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1x5s n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5s s GLN 38 N -2.01 4.47 0.30 1.61 -2.07 -1.26 -3.96 119.66 116.74 1x5s s GLN 38 Ca 0.30 1.43 0.04 0.00 -1.82 0.00 0.00 55.36 55.31 1x5s s GLN 38 Cb -0.01 -3.51 -0.02 0.00 -1.09 0.00 0.00 33.01 28.38 1x5s s GLN 38 CO -0.01 -0.22 0.44 0.42 -1.32 0.00 0.00 175.29 174.61 1x5s s ILE 39 N 1.61 4.84 0.00 3.63 1.01 -1.26 -3.99 121.20 127.04 1x5s s ILE 39 Ca 0.50 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1x5s s ILE 39 Cb -0.20 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1x5s s ILE 39 CO 0.22 -0.33 0.00 -0.24 0.00 0.00 0.00 174.94 174.60 1x5s n SER 40 N -1.58 3.41 -3.57 3.58 2.88 0.19 -4.58 113.62 113.95 1x5s n SER 40 Ca -0.05 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.39 1x5s n SER 40 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.98 0.59 0.06 -1.46 2.12 -0.91 -4.97 118.70 112.15 1x5s s GLU 41 Ca 0.00 0.08 0.08 0.00 0.36 0.00 0.00 54.97 55.50 1x5s s GLU 41 Cb 0.00 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.64 1x5s s GLU 41 CO 0.00 -0.20 -0.23 0.08 -0.54 0.00 0.00 175.26 174.37 1x5s s VAL 42 N -1.37 1.88 -0.16 3.70 1.01 -1.26 0.81 120.40 125.02 1x5s s VAL 42 Ca -0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 1x5s s VAL 42 Cb -0.01 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1x5s s VAL 42 CO 0.00 0.23 0.01 -0.69 0.00 0.00 0.00 175.10 174.65 1x5s s VAL 43 N -0.85 0.65 -0.26 2.92 1.01 0.17 -4.97 120.40 119.06 1x5s s VAL 43 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1x5s s VAL 43 Cb -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1x5s s VAL 43 CO 0.02 -0.03 0.01 -0.69 0.00 0.00 0.00 175.10 174.41 1x5s s VAL 44 N 1.82 3.45 0.20 2.92 1.01 -1.26 -0.65 120.40 127.89 1x5s s VAL 44 Ca 0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1x5s s VAL 44 Cb -0.16 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 1x5s s VAL 44 CO -0.07 0.18 1.41 -0.69 0.00 0.00 0.00 175.10 175.93 1x5s s VAL 45 N 1.43 2.91 0.05 2.92 1.01 -1.25 -4.99 120.40 122.48 1x5s s VAL 45 Ca 0.02 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1x5s s VAL 45 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1x5s s VAL 45 CO -0.01 0.10 -0.02 -0.54 0.00 0.00 0.00 175.10 174.63 1x5s s LYS 46 N 0.14 0.59 1.18 2.72 1.02 -1.26 -2.64 119.74 121.49 1x5s s LYS 46 Ca 0.61 -1.14 -0.20 0.00 0.02 0.00 0.00 55.97 55.26 1x5s s LYS 46 Cb -0.40 0.21 0.29 0.00 -0.52 0.00 0.00 37.83 37.41 1x5s s LYS 46 CO 0.38 -0.11 1.08 -3.47 -0.92 0.00 0.00 175.35 172.31 1x5s n ASP 47 N 0.26 -1.94 -0.02 2.83 2.03 -1.22 -4.93 116.55 113.56 1x5s n ASP 47 Ca -0.15 -1.17 0.01 0.00 0.52 0.00 0.00 54.79 54.00 1x5s n ASP 47 Cb 0.60 -0.98 -0.08 0.00 -0.72 0.00 0.00 41.12 39.94 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 -4.69 1.21 -0.09 -0.67 1.85 -1.26 -3.74 116.66 109.27 1x5s n ARG 48 Ca 0.15 -0.06 -0.23 0.00 -1.00 0.00 0.00 57.85 56.71 1x5s n ARG 48 Cb 0.57 -1.26 -0.12 0.00 -1.05 0.00 0.00 32.46 30.60 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 -2.10 0.60 0.05 2.89 1.02 -1.26 -4.57 120.64 117.27 1x5s n GLU 49 Ca -0.08 0.47 -0.22 0.00 -0.02 0.00 0.00 57.16 57.30 1x5s n GLU 49 Cb 0.53 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 30.11 1x5s n GLU 49 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1x5s h THR 50 N -0.81 0.89 -2.93 2.62 1.35 -1.99 -3.48 112.91 108.55 1x5s h THR 50 Ca -0.42 -2.45 -0.21 0.00 -0.55 0.00 0.00 66.41 62.78 1x5s h THR 50 Cb 1.48 2.70 0.05 0.00 -1.73 0.00 0.00 68.15 70.65 1x5s h THR 50 CO -0.20 0.83 -0.33 0.00 -0.25 0.00 0.00 175.52 175.58 1x5s n GLN 51 N -3.65 -3.19 -4.24 4.72 1.13 -1.25 -4.99 117.38 105.91 1x5s n GLN 51 Ca -0.26 0.45 -0.29 0.00 -1.94 0.00 0.00 57.00 54.96 1x5s n GLN 51 Cb 1.03 -4.33 -0.10 0.00 0.11 0.00 0.00 30.24 26.96 1x5s n GLN 51 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x5s s ARG 52 N -5.36 2.10 -0.05 -1.09 3.00 -1.26 -4.83 118.95 111.46 1x5s s ARG 52 Ca 0.22 -1.11 -0.29 0.00 0.00 0.00 0.00 55.73 54.55 1x5s s ARG 52 Cb -0.10 -2.26 -0.07 0.00 0.00 0.00 0.00 34.95 32.53 1x5s s ARG 52 CO 0.27 0.48 1.93 -1.12 0.00 0.00 0.00 175.30 176.86 1x5s s SER 53 N -2.43 6.30 0.03 0.23 0.01 -1.26 -3.45 113.70 113.12 1x5s s SER 53 Ca 0.23 2.36 -0.18 0.00 1.31 0.00 0.00 55.95 59.66 1x5s s SER 53 Cb -0.10 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.50 1x5s s SER 53 CO 0.14 -1.22 1.27 0.03 0.41 0.00 0.00 173.24 173.87 1x5s h ARG 54 N 11.25 -0.61 0.00 12.44 2.47 -1.87 -3.41 114.38 134.66 1x5s h ARG 54 Ca -0.45 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1x5s h ARG 54 Cb 1.22 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1x5s h ARG 54 CO 0.95 -0.40 0.00 0.41 0.56 0.00 0.00 179.97 181.49 1x5s n GLY 55 N -1.32 0.00 3.83 0.04 0.00 -1.26 -4.82 105.19 101.66 1x5s n GLY 55 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 0.07 -0.90 1.61 -0.71 -1.26 0.13 117.98 116.92 1x5s s PHE 56 Ca 0.00 -0.62 0.00 0.00 -1.04 0.00 0.00 56.93 55.27 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 -0.58 -1.32 3.31 1.99 0.00 0.05 -3.86 105.19 104.79 1x5s n GLY 57 Ca -0.06 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.65 -0.59 -0.28 1.61 0.40 0.18 -1.65 117.98 114.99 1x5s s PHE 58 Ca 0.00 1.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.62 1x5s s PHE 58 Cb 0.00 0.25 0.05 0.00 0.51 0.00 0.00 43.02 43.84 1x5s s PHE 58 CO 0.00 -0.32 -0.04 0.08 0.70 0.00 0.00 175.22 175.64 1x5s s VAL 59 N 1.03 2.66 -0.02 -0.44 1.01 -1.25 0.43 120.40 123.82 1x5s s VAL 59 Ca -0.06 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 1x5s s VAL 59 Cb -0.06 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1x5s s VAL 59 CO -0.09 -0.08 1.18 -0.89 0.00 0.00 0.00 175.10 175.23 1x5s s THR 60 N 1.19 4.24 -0.15 3.92 2.01 0.24 -3.94 115.64 123.15 1x5s s THR 60 Ca -0.07 1.59 -0.11 0.00 0.31 0.00 0.00 61.69 63.41 1x5s s THR 60 Cb -0.20 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1x5s s THR 60 CO -0.03 0.04 0.20 -0.36 -0.69 0.00 0.00 174.62 173.78 1x5s s PHE 61 N 1.80 3.50 0.05 4.92 0.40 -1.20 0.57 117.98 128.01 1x5s s PHE 61 Ca 0.56 0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 57.30 1x5s s PHE 61 Cb -0.26 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1x5s s PHE 61 CO 0.24 0.42 0.89 0.39 0.70 0.00 0.00 175.22 177.86 1x5s n GLU 62 N 3.01 -0.14 -2.81 0.44 -0.58 -1.26 -4.42 120.64 114.89 1x5s n GLU 62 Ca -0.16 0.88 -0.26 0.00 -0.42 0.00 0.00 57.16 57.20 1x5s n GLU 62 Cb 0.53 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1x5s n GLU 62 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1x5s s ASN 63 N -4.02 6.11 0.09 1.62 0.01 -1.26 -5.02 114.94 112.47 1x5s s ASN 63 Ca -0.04 0.70 -0.15 0.00 -0.71 0.00 0.00 52.86 52.67 1x5s s ASN 63 Cb 0.03 -2.02 -0.13 0.00 0.41 0.00 0.00 41.25 39.54 1x5s s ASN 63 CO 0.19 -0.60 1.34 0.40 -1.51 0.00 0.00 177.10 176.92 1x5s h ILE 64 N 0.31 1.31 0.10 0.60 2.04 -1.84 -3.31 117.51 116.73 1x5s h ILE 64 Ca -0.47 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 63.69 1x5s h ILE 64 Cb 1.22 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1x5s h ILE 64 CO 0.61 0.53 -0.05 0.44 0.00 0.00 0.00 178.15 179.68 1x5s h ASP 65 N 0.39 -0.12 -1.27 1.72 5.19 -1.93 -3.13 116.42 117.29 1x5s h ASP 65 Ca 0.00 -0.38 0.41 0.00 -0.62 0.00 0.00 57.03 56.44 1x5s h ASP 65 Cb 1.08 0.03 -0.10 0.00 0.18 0.00 0.00 39.33 40.52 1x5s h ASP 65 CO 0.10 0.35 0.85 0.47 -3.12 0.00 0.00 179.24 177.89 1x5s n ASP 66 N -4.93 0.13 0.08 6.45 9.92 -1.25 0.11 116.55 127.05 1x5s n ASP 66 Ca -0.09 1.06 -0.12 0.00 -0.53 0.00 0.00 54.79 55.11 1x5s n ASP 66 Cb 0.25 -0.52 -0.08 0.00 -0.64 0.00 0.00 41.12 40.13 1x5s n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5s h ALA 67 N 1.18 -0.24 -0.55 2.24 0.00 -1.62 -3.13 119.26 117.13 1x5s h ALA 67 Ca 0.74 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.54 1x5s h ALA 67 Cb 2.54 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 20.34 1x5s h ALA 67 CO -0.28 -0.38 0.00 1.57 0.00 0.00 0.00 179.25 180.16 1x5s h LYS 68 N -0.76 0.12 -0.78 0.00 2.10 0.75 0.80 116.57 118.79 1x5s h LYS 68 Ca -0.02 -0.01 0.16 0.00 -2.00 0.00 0.00 60.65 58.78 1x5s h LYS 68 Cb 0.51 -0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 31.71 1x5s h LYS 68 CO 0.04 0.08 0.29 -0.44 -2.00 0.00 0.00 179.45 177.42 1x5s h ASP 69 N 0.12 0.23 1.39 7.07 3.32 -1.42 0.95 116.42 128.08 1x5s h ASP 69 Ca 0.28 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 1x5s h ASP 69 Cb 0.44 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1x5s h ASP 69 CO -0.46 0.05 -0.63 0.00 -1.72 0.00 0.00 179.24 176.48 1x5s h ALA 70 N 1.60 0.70 0.58 3.45 0.00 -1.03 -3.17 119.26 121.39 1x5s h ALA 70 Ca 0.45 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x5s h ALA 70 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1x5s h ALA 70 CO -0.45 0.55 -0.29 1.98 0.00 0.00 0.00 179.25 181.03 1x5s h MET 71 N 0.00 -0.77 0.00 0.00 1.85 0.30 0.17 114.93 116.48 1x5s h MET 71 Ca -0.03 0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.07 1x5s h MET 71 Cb 1.34 0.18 -0.01 0.00 0.43 0.00 0.00 31.60 33.54 1x5s h MET 71 CO 0.05 -0.52 -0.21 0.52 -0.40 0.00 0.00 176.91 176.35 1x5s h MET 72 N -0.80 0.00 0.21 0.39 2.86 -1.49 0.58 114.93 116.67 1x5s h MET 72 Ca -0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1x5s h MET 72 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1x5s h MET 72 CO 0.12 0.21 -0.10 0.00 1.06 0.00 0.00 176.91 178.20 1x5s h ALA 73 N 1.79 -0.28 0.00 6.32 0.00 -1.43 -3.30 119.26 122.37 1x5s h ALA 73 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1x5s h ALA 73 Cb 0.60 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1x5s h ALA 73 CO 0.03 -0.36 -0.19 0.52 0.00 0.00 0.00 179.25 179.25 1x5s h MET 74 N -0.87 0.00 -5.38 0.00 2.86 -0.66 -3.43 114.93 107.46 1x5s h MET 74 Ca -0.03 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.17 1x5s h MET 74 Cb 0.51 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1x5s h MET 74 CO 0.05 0.11 1.58 -1.71 1.06 0.00 0.00 176.91 178.00 1x5s n ASN 75 N -3.09 1.50 0.00 1.22 2.85 0.20 0.36 115.26 118.30 1x5s n ASN 75 Ca 0.03 -0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.14 1x5s n ASN 75 Cb 0.58 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.25 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 6.20 1.07 3.89 8.20 0.00 -1.26 -4.80 105.19 118.49 1x5s n GLY 76 Ca 0.48 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.65 2.88 -0.22 1.61 -0.14 0.16 -5.03 119.74 117.35 1x5s s LYS 77 Ca 0.00 -1.17 -0.06 0.00 -1.36 0.00 0.00 55.97 53.38 1x5s s LYS 77 Cb 0.00 -2.59 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 1x5s s LYS 77 CO 0.00 0.14 0.04 -1.12 -0.76 0.00 0.00 175.35 173.65 1x5s s SER 78 N -4.02 5.08 -0.39 2.83 0.01 -1.26 -4.00 113.70 111.95 1x5s s SER 78 Ca 0.41 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.42 1x5s s SER 78 Cb -0.07 -1.89 0.06 0.00 0.21 0.00 0.00 66.02 64.33 1x5s s SER 78 CO 0.28 0.04 0.21 0.54 0.41 0.00 0.00 173.24 174.72 1x5s s VAL 79 N 1.14 4.21 -1.41 3.43 0.11 -1.26 -4.50 120.40 122.12 1x5s s VAL 79 Ca 0.04 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.85 1x5s s VAL 79 Cb -0.14 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1x5s s VAL 79 CO 0.02 -0.38 0.11 0.47 -3.33 0.00 0.00 175.10 172.00 1x5s n ASP 80 N 4.91 -5.06 -0.68 3.54 8.00 -1.26 -3.05 116.55 122.95 1x5s n ASP 80 Ca -0.11 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1x5s n ASP 80 Cb 0.44 -4.10 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 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 -1.10 0.67 1.85 0.44 0.00 -1.26 -5.09 105.19 100.70 1x5s n GLY 81 Ca -0.18 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.68 1.35 -2.23 1.61 5.12 -1.17 -5.08 116.66 115.58 1x5s n ARG 82 Ca 0.00 -1.86 -0.04 0.00 -1.93 0.00 0.00 57.85 54.03 1x5s n ARG 82 Cb 0.43 0.47 0.05 0.00 -1.16 0.00 0.00 32.46 32.25 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 -0.69 1.76 -1.55 5.56 10.64 -1.26 -4.30 117.38 127.54 1x5s n GLN 83 Ca -0.10 -3.33 -0.31 0.00 -1.83 0.00 0.00 57.00 51.43 1x5s n GLN 83 Cb 0.32 -1.43 0.06 0.00 -0.86 0.00 0.00 30.24 28.33 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 -3.16 3.86 -0.09 -0.39 -4.36 -1.26 -4.89 121.20 110.91 1x5s s ILE 84 Ca 0.34 0.63 0.00 0.00 -0.26 0.00 0.00 60.65 61.36 1x5s s ILE 84 Cb 0.36 -3.30 0.02 0.00 1.25 0.00 0.00 42.46 40.79 1x5s s ILE 84 CO -0.05 -0.76 -0.06 -0.60 0.24 0.00 0.00 174.94 173.70 1x5s s ARG 85 N -4.92 1.25 -0.09 0.37 3.52 -1.18 -3.84 118.95 114.06 1x5s s ARG 85 Ca 0.59 -0.18 -0.14 0.00 -0.13 0.00 0.00 55.73 55.87 1x5s s ARG 85 Cb -0.15 -1.31 -0.05 0.00 -1.56 0.00 0.00 34.95 31.89 1x5s s ARG 85 CO 0.53 -0.19 0.35 0.08 -0.81 0.00 0.00 175.30 175.26 1x5s s VAL 86 N 1.46 5.21 0.34 7.11 1.01 -1.26 -3.69 120.40 130.58 1x5s s VAL 86 Ca -0.01 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 1x5s s VAL 86 Cb -0.13 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1x5s s VAL 86 CO -0.04 0.47 0.75 -0.62 0.00 0.00 0.00 175.10 175.66 1x5s s ASP 87 N -0.20 -0.10 -0.11 3.32 2.15 -1.09 -4.04 116.67 116.59 1x5s s ASP 87 Ca 0.20 -0.92 -0.30 0.00 0.43 0.00 0.00 52.55 51.97 1x5s s ASP 87 Cb -0.14 0.80 -0.07 0.00 -0.30 0.00 0.00 42.92 43.20 1x5s s ASP 87 CO 0.08 -1.54 2.10 0.00 -0.17 0.00 0.00 175.17 175.64 1x5s n GLN 88 N -0.50 2.32 -0.04 4.34 6.02 -1.26 -0.31 117.38 127.96 1x5s n GLN 88 Ca -0.06 0.76 -0.13 0.00 -0.01 0.00 0.00 57.00 57.55 1x5s n GLN 88 Cb 0.60 -3.08 -0.08 0.00 1.02 0.00 0.00 30.24 28.70 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x5s h ALA 89 N 12.74 0.13 0.00 -1.58 0.00 -1.75 -3.42 119.26 125.38 1x5s h ALA 89 Ca -0.45 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1x5s h ALA 89 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x5s h ALA 89 CO 0.95 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1x5s n GLY 90 N 0.29 0.62 3.53 0.00 0.00 -1.26 -4.88 105.19 103.49 1x5s n GLY 90 Ca -0.07 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 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 0.00 0.54 -2.29 1.61 3.00 -1.26 -4.59 118.16 115.17 1x5s n LYS 91 Ca 0.00 0.22 -0.35 0.00 -0.00 0.00 0.00 58.31 58.18 1x5s n LYS 91 Cb 0.00 -1.93 -0.00 0.00 0.00 0.00 0.00 35.03 33.09 1x5s n LYS 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x5s s SER 92 N -1.35 5.84 0.16 3.14 0.15 -1.26 -4.84 113.70 115.54 1x5s s SER 92 Ca 0.71 2.16 0.08 0.00 0.70 0.00 0.00 55.95 59.60 1x5s s SER 92 Cb -0.39 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.29 1x5s s SER 92 CO 0.53 -1.13 -0.07 -0.94 1.20 0.00 0.00 173.24 172.83 1x5s s SER 93 N -1.75 4.45 -0.71 5.45 1.04 -1.26 -4.65 113.70 116.27 1x5s s SER 93 Ca 0.71 -0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 1x5s s SER 93 Cb -0.24 -0.84 0.01 0.00 0.10 0.00 0.00 66.02 65.05 1x5s s SER 93 CO 0.27 0.12 0.61 -0.67 0.98 0.00 0.00 173.24 174.54 1x5s n ASP 94 N 0.14 -4.28 -4.57 7.02 2.03 -1.26 -4.93 116.55 110.71 1x5s n ASP 94 Ca -0.11 -0.28 -0.40 0.00 0.52 0.00 0.00 54.79 54.52 1x5s n ASP 94 Cb 0.55 -2.86 -0.02 0.00 -0.72 0.00 0.00 41.12 38.06 1x5s n ASP 94 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1x5s s ASN 95 N -3.15 6.47 -0.30 1.67 2.47 -1.26 -4.80 114.94 116.04 1x5s s ASN 95 Ca 0.30 -1.81 -0.09 0.00 0.42 0.00 0.00 52.86 51.68 1x5s s ASN 95 Cb -0.13 -2.57 0.18 0.00 -1.45 0.00 0.00 41.25 37.28 1x5s s ASN 95 CO 0.37 -1.54 0.93 -0.60 -3.72 0.00 0.00 177.10 172.55 1x5s s ARG 96 N 4.89 0.27 -0.23 0.43 6.06 -1.26 -5.14 118.95 123.97 1x5s s ARG 96 Ca 0.52 0.41 -0.24 0.00 -2.50 0.00 0.00 55.73 53.92 1x5s s ARG 96 Cb 0.01 0.22 -0.01 0.00 0.06 0.00 0.00 34.95 35.23 1x5s s ARG 96 CO -0.01 -0.37 0.79 0.45 -2.50 0.00 0.00 175.30 173.67 1x5s s SER 97 N 2.93 6.81 -0.54 -2.12 0.15 -1.26 -5.00 113.70 114.67 1x5s s SER 97 Ca 0.10 1.01 0.04 0.00 0.70 0.00 0.00 55.95 57.80 1x5s s SER 97 Cb -0.09 -2.42 0.17 0.00 -1.71 0.00 0.00 66.02 61.97 1x5s s SER 97 CO -0.17 -0.47 0.40 -0.83 1.20 0.00 0.00 173.24 173.38 1x5s s GLY 98 N 1.32 1.96 0.48 9.45 0.00 -1.26 -5.11 107.32 114.15 1x5s s GLY 98 Ca 0.34 -3.05 -0.22 0.00 0.00 0.00 0.00 44.72 41.79 1x5s s GLY 98 CO 0.08 1.66 1.16 2.56 0.00 0.00 0.00 173.10 178.56 1x5s s PRO 99 N -0.58 3.66 -0.08 2.90 0.04 -1.26 -5.05 135.00 134.63 1x5s s PRO 99 Ca 0.29 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1x5s s PRO 99 Cb -0.01 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1x5s s PRO 99 CO -0.18 -0.62 -0.17 -1.54 0.04 0.00 0.00 177.00 174.53 1x5s s SER 100 N -1.46 2.34 -0.25 6.66 1.04 -1.26 -5.03 113.70 115.73 1x5s s SER 100 Ca 0.66 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 1x5s s SER 100 Cb -0.27 -1.07 -0.15 0.00 0.10 0.00 0.00 66.02 64.62 1x5s s SER 100 CO 0.33 0.08 -0.17 -1.54 0.98 0.00 0.00 173.24 172.92 1x5s n SER 101 N 3.73 1.94 -0.30 7.02 3.41 -1.26 -5.37 113.62 122.79 1x5s n SER 101 Ca -0.21 0.31 0.15 0.00 -0.26 0.00 0.00 58.87 58.86 1x5s n SER 101 Cb 0.52 -0.82 0.68 0.00 -0.26 0.00 0.00 64.21 64.33 1x5s n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49