#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 -0.52 0.27 1.61 0.01 -1.26 -5.17 113.70 108.64 1x5s s SER 2 Ca 0.00 0.08 -0.14 0.00 1.31 0.00 0.00 55.95 57.21 1x5s s SER 2 Cb 0.00 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.79 1x5s s SER 2 CO 0.00 -0.86 0.55 -0.44 0.41 0.00 0.00 173.24 172.90 1x5s s SER 3 N -2.42 -0.03 0.00 2.44 0.01 -1.26 -5.17 113.70 107.27 1x5s s SER 3 Ca -0.01 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1x5s s SER 3 Cb -0.00 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1x5s s SER 3 CO -0.08 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 172.94 1x5s n GLY 4 N -0.42 1.13 3.57 3.44 0.00 -1.26 -5.01 105.19 106.64 1x5s n GLY 4 Ca -0.02 0.50 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 1x5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5s s SER 5 N 0.00 -0.66 0.25 1.61 0.15 -1.26 -5.18 113.70 108.61 1x5s s SER 5 Ca 0.00 0.98 0.04 0.00 0.70 0.00 0.00 55.95 57.67 1x5s s SER 5 Cb 0.00 1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 65.75 1x5s s SER 5 CO 0.00 -0.15 0.00 -0.44 1.20 0.00 0.00 173.24 173.86 1x5s s SER 6 N 1.89 1.94 0.00 5.45 0.01 -1.26 -5.08 113.70 116.66 1x5s s SER 6 Ca -0.07 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 55.95 1x5s s SER 6 Cb -0.05 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1x5s s SER 6 CO -0.17 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1x5s n GLY 7 N -0.47 0.87 3.86 3.44 0.00 -1.26 -5.19 105.19 106.44 1x5s n GLY 7 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.15 0.06 1.61 0.23 -1.26 -5.07 119.30 116.02 1x5s s MET 8 Ca 0.00 -0.73 -0.26 0.00 -1.03 0.00 0.00 55.69 53.67 1x5s s MET 8 Cb 0.00 0.33 -0.13 0.00 -1.53 0.00 0.00 34.83 33.50 1x5s s MET 8 CO 0.00 -0.54 1.41 0.00 -2.03 0.00 0.00 175.02 173.86 1x5s h ALA 9 N 2.00 -1.11 -1.75 3.16 0.00 -2.03 -3.44 119.26 116.10 1x5s h ALA 9 Ca -0.27 -0.16 -0.51 0.00 0.00 0.00 0.00 54.91 53.97 1x5s h ALA 9 Cb 1.22 0.55 0.24 0.00 0.00 0.00 0.00 17.79 19.79 1x5s h ALA 9 CO 0.34 -1.10 -1.48 -1.13 0.00 0.00 0.00 179.25 175.87 1x5s n SER 10 N -4.65 -3.31 -4.92 0.00 3.41 -1.26 -4.97 113.62 97.92 1x5s n SER 10 Ca -0.10 0.10 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1x5s n SER 10 Cb 0.35 -0.88 0.04 0.00 -0.26 0.00 0.00 64.21 63.46 1x5s n SER 10 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x5s s ASP 11 N -1.51 5.40 -0.05 4.04 1.01 -0.91 -4.82 116.67 119.84 1x5s s ASP 11 Ca 0.48 0.61 0.03 0.00 0.71 0.00 0.00 52.55 54.38 1x5s s ASP 11 Cb -0.11 -1.52 -0.05 0.00 1.01 0.00 0.00 42.92 42.25 1x5s s ASP 11 CO 0.71 -1.18 0.00 -1.84 0.21 0.00 0.00 175.17 173.06 1x5s n GLU 12 N -2.64 2.61 -0.37 8.23 0.00 -1.26 -3.04 120.64 124.18 1x5s n GLU 12 Ca 0.05 0.01 0.33 0.00 0.00 0.00 0.00 57.16 57.55 1x5s n GLU 12 Cb 0.58 -1.11 0.60 0.00 0.00 0.00 0.00 31.44 31.51 1x5s n GLU 12 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1x5s h GLY 13 N 0.77 1.94 -3.54 -1.84 0.00 -1.89 -3.39 103.07 95.12 1x5s h GLY 13 Ca -0.12 -0.15 -0.49 0.00 0.00 0.00 0.00 47.33 46.57 1x5s h GLY 13 CO 0.00 -0.64 0.39 1.25 0.00 0.00 0.00 176.54 177.54 1x5s s LYS 14 N -5.46 4.68 -0.03 4.80 2.47 -1.26 -3.52 119.74 121.42 1x5s s LYS 14 Ca -0.09 1.55 0.07 0.00 -1.56 0.00 0.00 55.97 55.95 1x5s s LYS 14 Cb 0.32 -3.10 -0.02 0.00 -1.46 0.00 0.00 37.83 33.58 1x5s s LYS 14 CO 0.80 0.33 -0.25 -0.51 0.16 0.00 0.00 175.35 175.88 1x5s s LEU 15 N -1.55 2.05 -0.53 5.43 1.43 -1.24 -2.03 118.68 122.24 1x5s s LEU 15 Ca 0.45 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 1x5s s LEU 15 Cb -0.26 -1.29 0.06 0.00 0.03 0.00 0.00 46.19 44.73 1x5s s LEU 15 CO 0.33 0.28 0.68 0.12 0.23 0.00 0.00 176.35 177.99 1x5s s PHE 16 N -0.45 3.01 -0.13 0.29 5.36 -0.12 -3.98 117.98 121.96 1x5s s PHE 16 Ca 0.05 -0.57 -0.03 0.00 -0.96 0.00 0.00 56.93 55.43 1x5s s PHE 16 Cb -0.11 -3.69 -0.03 0.00 -0.34 0.00 0.00 43.02 38.86 1x5s s PHE 16 CO 0.00 -1.13 -0.05 0.08 -1.46 0.00 0.00 175.22 172.67 1x5s s VAL 17 N 2.80 3.85 0.11 3.12 1.01 -0.73 -3.18 120.40 127.37 1x5s s VAL 17 Ca 0.16 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1x5s s VAL 17 Cb -0.19 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1x5s s VAL 17 CO 0.11 0.52 -0.10 -0.83 0.00 0.00 0.00 175.10 174.81 1x5s s GLY 18 N 0.06 0.90 0.00 4.51 0.00 -1.20 -0.84 107.32 110.75 1x5s s GLY 18 Ca -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1x5s s GLY 18 CO 0.03 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.34 1x5s n GLY 19 N 0.23 1.20 3.54 0.20 0.00 0.24 -3.20 105.19 107.40 1x5s n GLY 19 Ca -0.14 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.32 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 0.73 -4.77 0.99 4.77 -1.10 -4.74 117.00 112.87 1x5s n LEU 20 Ca 0.00 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 1x5s n LEU 20 Cb 0.00 -1.03 -0.01 0.00 -2.33 0.00 0.00 43.42 40.05 1x5s n LEU 20 CO 0.00 -1.51 1.07 -0.94 -1.33 0.00 0.00 177.39 174.67 1x5s s SER 21 N 0.30 6.49 0.32 -1.43 1.04 -1.26 -4.52 113.70 114.64 1x5s s SER 21 Ca 0.89 2.89 0.10 0.00 0.48 0.00 0.00 55.95 60.31 1x5s s SER 21 Cb -1.14 -2.66 0.95 0.00 0.10 0.00 0.00 66.02 63.27 1x5s s SER 21 CO 0.53 -0.76 1.65 -0.26 0.98 0.00 0.00 173.24 175.39 1x5s h PHE 22 N 3.10 0.68 -0.78 5.02 0.04 -1.88 0.88 116.94 124.00 1x5s h PHE 22 Ca -0.50 0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.43 1x5s h PHE 22 Cb 1.24 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 39.19 1x5s h PHE 22 CO 0.54 -0.21 0.51 0.22 -0.60 0.00 0.00 178.31 178.76 1x5s h ASP 23 N 0.25 0.57 -2.69 2.17 3.58 -1.94 -3.41 116.42 114.95 1x5s h ASP 23 Ca 0.67 0.02 -0.54 0.00 0.42 0.00 0.00 57.03 57.60 1x5s h ASP 23 Cb 1.48 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1x5s h ASP 23 CO -0.65 0.33 1.01 -0.89 -2.88 0.00 0.00 179.24 176.16 1x5s s THR 24 N -5.59 3.44 0.40 2.25 2.01 0.30 -4.95 115.64 113.51 1x5s s THR 24 Ca -0.09 0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.66 1x5s s THR 24 Cb 0.21 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1x5s s THR 24 CO 0.77 -0.03 0.06 0.20 -0.69 0.00 0.00 174.62 174.93 1x5s s ASN 25 N 2.76 3.10 0.19 3.53 -0.87 -1.26 -4.83 114.94 117.56 1x5s s ASN 25 Ca 0.72 -1.54 -0.19 0.00 -1.57 0.00 0.00 52.86 50.28 1x5s s ASN 25 Cb -0.35 0.20 0.15 0.00 -0.02 0.00 0.00 41.25 41.23 1x5s s ASN 25 CO 0.30 -0.75 1.39 -0.62 -2.57 0.00 0.00 177.10 174.85 1x5s n GLU 26 N -0.93 -0.26 0.41 -0.60 1.02 -1.26 -0.83 120.64 118.20 1x5s n GLU 26 Ca -0.08 1.37 -0.19 0.00 -0.02 0.00 0.00 57.16 58.25 1x5s n GLU 26 Cb 0.66 -2.03 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 1x5s n GLU 26 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1x5s h GLN 27 N 0.00 -1.05 -0.86 3.49 4.15 -1.99 -2.85 115.11 116.00 1x5s h GLN 27 Ca 0.27 0.07 0.09 0.00 0.77 0.00 0.00 58.65 59.85 1x5s h GLN 27 Cb 0.49 0.24 -0.12 0.00 0.21 0.00 0.00 27.48 28.31 1x5s h GLN 27 CO -0.88 -0.70 -0.56 1.03 -1.93 0.00 0.00 178.83 175.79 1x5s h SER 28 N -1.09 -2.01 -0.65 -0.69 0.87 -1.35 0.11 113.55 108.74 1x5s h SER 28 Ca -0.10 0.31 0.09 0.00 -1.23 0.00 0.00 61.79 60.86 1x5s h SER 28 Cb 0.87 0.89 -0.11 0.00 -0.44 0.00 0.00 62.40 63.60 1x5s h SER 28 CO 0.12 -0.28 -0.45 -0.07 -0.53 0.00 0.00 176.83 175.62 1x5s h LEU 29 N -0.09 -1.58 0.07 2.23 3.38 -1.00 -1.30 115.31 117.02 1x5s h LEU 29 Ca 0.16 0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.42 1x5s h LEU 29 Cb 0.47 0.72 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1x5s h LEU 29 CO -0.86 -0.33 -0.40 -0.08 0.09 0.00 0.00 178.44 176.86 1x5s h GLU 30 N -0.19 -0.58 -1.54 1.13 4.81 -0.81 0.43 114.58 117.83 1x5s h GLU 30 Ca 0.19 0.04 0.45 0.00 -0.13 0.00 0.00 59.36 59.90 1x5s h GLU 30 Cb 0.55 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1x5s h GLU 30 CO -0.74 -0.38 1.14 1.96 -0.73 0.00 0.00 179.01 180.26 1x5s h GLN 31 N -0.60 0.00 0.00 1.92 1.08 0.02 0.45 115.11 117.98 1x5s h GLN 31 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1x5s h GLN 31 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1x5s h GLN 31 CO -0.27 0.00 0.00 0.28 -0.95 0.00 0.00 178.83 177.89 1x5s n VAL 32 N -3.99 0.00 -0.05 -0.54 0.31 -0.02 -4.22 118.33 109.83 1x5s n VAL 32 Ca 0.34 0.34 0.21 0.00 -0.01 0.00 0.00 64.34 65.23 1x5s n VAL 32 Cb 1.62 -1.24 0.40 0.00 -0.91 0.00 0.00 33.84 33.72 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 -0.38 3.52 -1.00 -0.06 0.84 116.94 119.86 1x5s h PHE 33 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 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 0.09 1.03 -1.61 0.00 0.00 178.31 177.82 1x5s h SER 34 N 0.00 0.58 0.09 2.17 0.87 -0.29 -2.15 113.55 114.82 1x5s h SER 34 Ca 0.34 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1x5s h SER 34 Cb 2.44 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 64.25 1x5s h SER 34 CO -0.00 0.66 -0.01 0.07 -0.53 0.00 0.00 176.83 177.02 1x5s h LYS 35 N 0.47 0.00 0.21 2.24 2.10 0.54 -2.04 116.57 120.09 1x5s h LYS 35 Ca 0.12 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.45 1x5s h LYS 35 Cb 0.31 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.67 1x5s h LYS 35 CO 0.00 0.01 -1.51 1.88 -2.00 0.00 0.00 179.45 177.83 1x5s h TYR 36 N 0.00 0.80 -0.38 0.07 0.05 -1.42 -3.50 116.97 112.59 1x5s h TYR 36 Ca -0.00 -0.59 0.00 0.00 0.05 0.00 0.00 58.73 58.19 1x5s h TYR 36 Cb 0.05 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1x5s h TYR 36 CO 0.00 1.58 0.00 0.41 -1.05 0.00 0.00 178.16 179.10 1x5s n GLY 37 N 1.77 1.91 3.78 3.88 0.00 -0.77 -4.77 105.19 110.99 1x5s n GLY 37 Ca -0.20 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 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 1.22 4.45 0.03 1.61 0.74 -1.26 -4.34 119.66 122.11 1x5s s GLN 38 Ca 0.00 1.01 0.09 0.00 0.05 0.00 0.00 55.36 56.51 1x5s s GLN 38 Cb 0.00 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 1x5s s GLN 38 CO 0.00 0.51 -0.25 0.42 -0.55 0.00 0.00 175.29 175.42 1x5s s ILE 39 N -0.83 1.99 -0.19 -2.34 1.01 -1.26 -4.61 121.20 114.98 1x5s s ILE 39 Ca 0.34 -1.28 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1x5s s ILE 39 Cb -0.21 -1.70 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 1x5s s ILE 39 CO 0.23 0.36 -0.24 -0.24 0.00 0.00 0.00 174.94 175.05 1x5s n SER 40 N 1.92 1.32 -3.47 3.58 2.88 -0.12 -4.83 113.62 114.90 1x5s n SER 40 Ca -0.17 0.23 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 1x5s n SER 40 Cb 0.52 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 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 -2.35 1.18 0.08 -1.46 2.12 -1.02 -4.98 118.70 112.27 1x5s s GLU 41 Ca -0.26 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 54.68 1x5s s GLU 41 Cb 0.10 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 34.99 1x5s s GLU 41 CO 0.33 -0.52 -0.16 0.08 -0.54 0.00 0.00 175.26 174.45 1x5s s VAL 42 N -3.58 1.31 -0.11 3.70 1.01 -1.26 0.27 120.40 121.73 1x5s s VAL 42 Ca 0.03 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1x5s s VAL 42 Cb -0.01 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1x5s s VAL 42 CO -0.11 -0.16 -0.03 -0.69 0.00 0.00 0.00 175.10 174.12 1x5s s VAL 43 N -1.22 0.70 -0.31 2.92 1.01 0.11 -4.99 120.40 118.63 1x5s s VAL 43 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1x5s s VAL 43 Cb -0.10 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1x5s s VAL 43 CO 0.03 0.22 0.05 -0.69 0.00 0.00 0.00 175.10 174.70 1x5s s VAL 44 N 1.83 3.50 -0.02 2.92 1.01 -1.26 -1.32 120.40 127.04 1x5s s VAL 44 Ca 0.04 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 1x5s s VAL 44 Cb -0.13 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1x5s s VAL 44 CO -0.07 -0.06 1.59 -0.69 0.00 0.00 0.00 175.10 175.87 1x5s s VAL 45 N 1.37 3.53 0.32 2.92 1.01 -1.25 -4.97 120.40 123.33 1x5s s VAL 45 Ca -0.02 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1x5s s VAL 45 Cb -0.19 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1x5s s VAL 45 CO 0.01 -0.04 0.05 -0.54 0.00 0.00 0.00 175.10 174.57 1x5s s LYS 46 N 3.43 1.65 0.49 2.72 1.02 -1.26 -2.64 119.74 125.14 1x5s s LYS 46 Ca 0.71 -1.91 -0.05 0.00 0.02 0.00 0.00 55.97 54.74 1x5s s LYS 46 Cb -0.34 -0.90 0.11 0.00 -0.52 0.00 0.00 37.83 36.18 1x5s s LYS 46 CO 0.29 -0.17 0.66 -3.47 -0.92 0.00 0.00 175.35 171.74 1x5s n ASP 47 N -0.68 0.41 -0.07 2.83 2.03 -1.25 -4.91 116.55 114.91 1x5s n ASP 47 Ca -0.03 -1.46 -0.08 0.00 0.52 0.00 0.00 54.79 53.75 1x5s n ASP 47 Cb 0.66 -0.47 -0.11 0.00 -0.72 0.00 0.00 41.12 40.48 1x5s n ASP 47 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1x5s n ARG 48 N -2.33 1.47 0.15 -0.67 0.00 -1.26 -3.33 116.66 110.68 1x5s n ARG 48 Ca 0.09 0.01 -0.06 0.00 -0.00 0.00 0.00 57.85 57.89 1x5s n ARG 48 Cb 0.33 -1.38 -0.03 0.00 0.00 0.00 0.00 32.46 31.39 1x5s n ARG 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1x5s h GLU 49 N 0.00 -0.39 0.00 -0.14 4.57 -2.02 -3.38 114.58 113.22 1x5s h GLU 49 Ca -0.40 0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 57.58 1x5s h GLU 49 Cb 1.87 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 30.51 1x5s h GLU 49 CO 0.01 -0.26 -1.89 -2.37 -1.18 0.00 0.00 179.01 173.32 1x5s n THR 50 N -3.94 1.10 -3.50 0.32 5.66 -1.26 -5.01 114.28 107.66 1x5s n THR 50 Ca -0.05 -0.73 -0.18 0.00 -3.05 0.00 0.00 64.05 60.04 1x5s n THR 50 Cb 0.16 -0.55 0.08 0.00 -1.55 0.00 0.00 70.33 68.47 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 -2.75 -6.11 -4.26 1.09 1.13 -1.21 -4.96 117.38 100.31 1x5s n GLN 51 Ca -0.18 0.79 -0.29 0.00 -1.94 0.00 0.00 57.00 55.38 1x5s n GLN 51 Cb 0.93 -5.69 -0.10 0.00 0.11 0.00 0.00 30.24 25.49 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 -5.50 2.02 -0.36 -1.09 6.06 -1.26 -4.73 118.95 114.09 1x5s s ARG 52 Ca 0.01 -1.12 -0.33 0.00 -2.50 0.00 0.00 55.73 51.79 1x5s s ARG 52 Cb -0.00 -2.22 -0.10 0.00 0.06 0.00 0.00 34.95 32.68 1x5s s ARG 52 CO 0.75 0.49 2.23 0.43 -2.50 0.00 0.00 175.30 176.70 1x5s n SER 53 N 0.59 2.28 0.08 -2.12 7.64 -1.26 -3.79 113.62 117.04 1x5s n SER 53 Ca -0.13 0.30 -0.04 0.00 1.01 0.00 0.00 58.87 60.00 1x5s n SER 53 Cb 0.53 -1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 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 13.41 -0.25 0.00 1.43 2.47 -1.88 -3.44 114.38 126.12 1x5s h ARG 54 Ca -0.29 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1x5s h ARG 54 Cb 1.30 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1x5s h ARG 54 CO 1.03 -0.16 0.00 0.41 0.56 0.00 0.00 179.97 181.81 1x5s n GLY 55 N -1.14 0.00 3.82 0.04 0.00 -1.26 -4.87 105.19 101.78 1x5s n GLY 55 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.05 0.00 1.61 -0.71 -1.26 0.80 117.98 118.37 1x5s s PHE 56 Ca 0.00 -0.42 -0.10 0.00 -1.04 0.00 0.00 56.93 55.37 1x5s s PHE 56 Cb 0.00 0.73 0.03 0.00 -1.21 0.00 0.00 43.02 42.57 1x5s s PHE 56 CO 0.00 -1.17 0.46 0.41 -1.34 0.00 0.00 175.22 173.58 1x5s n GLY 57 N -0.52 0.55 3.50 1.99 0.00 -0.02 -3.92 105.19 106.77 1x5s n GLY 57 Ca -0.06 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.91 -0.65 -0.15 1.61 0.40 -0.44 -1.78 117.98 114.06 1x5s s PHE 58 Ca 0.11 1.59 0.02 0.00 -0.60 0.00 0.00 56.93 58.04 1x5s s PHE 58 Cb -0.00 0.23 0.01 0.00 0.51 0.00 0.00 43.02 43.76 1x5s s PHE 58 CO 0.00 -0.32 -0.19 0.08 0.70 0.00 0.00 175.22 175.48 1x5s s VAL 59 N 0.28 2.27 -0.33 -0.44 1.01 -1.26 0.04 120.40 121.97 1x5s s VAL 59 Ca -0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 1x5s s VAL 59 Cb -0.04 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1x5s s VAL 59 CO 0.01 0.54 0.75 -0.89 0.00 0.00 0.00 175.10 175.51 1x5s s THR 60 N 0.86 4.80 -0.18 3.92 2.01 0.14 -3.73 115.64 123.46 1x5s s THR 60 Ca -0.05 0.97 -0.17 0.00 0.31 0.00 0.00 61.69 62.75 1x5s s THR 60 Cb -0.15 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1x5s s THR 60 CO -0.02 -0.31 0.43 -0.36 -0.69 0.00 0.00 174.62 173.67 1x5s s PHE 61 N 2.95 3.41 0.20 4.92 0.40 -1.23 -0.95 117.98 127.68 1x5s s PHE 61 Ca 0.30 0.70 -0.20 0.00 -0.60 0.00 0.00 56.93 57.14 1x5s s PHE 61 Cb -0.14 -2.55 0.16 0.00 0.51 0.00 0.00 43.02 41.00 1x5s s PHE 61 CO 0.14 0.02 1.58 0.93 0.70 0.00 0.00 175.22 178.59 1x5s h GLU 62 N 7.22 -0.11 -5.49 0.44 4.39 -1.88 -3.38 114.58 115.77 1x5s h GLU 62 Ca -0.37 0.01 -0.61 0.00 0.34 0.00 0.00 59.36 58.73 1x5s h GLU 62 Cb 1.16 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.74 1x5s h GLU 62 CO 0.73 -0.07 -0.41 1.21 -1.16 0.00 0.00 179.01 179.31 1x5s s ASN 63 N -5.22 6.38 0.26 1.42 3.84 -1.26 -4.99 114.94 115.37 1x5s s ASN 63 Ca -0.14 0.44 -0.02 0.00 0.21 0.00 0.00 52.86 53.35 1x5s s ASN 63 Cb 0.17 -2.13 0.53 0.00 -0.55 0.00 0.00 41.25 39.27 1x5s s ASN 63 CO 0.70 0.21 1.72 0.40 -2.79 0.00 0.00 177.10 177.35 1x5s h ILE 64 N 4.44 0.61 -0.11 -5.21 2.04 -1.97 -1.31 117.51 116.01 1x5s h ILE 64 Ca -0.45 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1x5s h ILE 64 Cb 1.18 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1x5s h ILE 64 CO 0.71 0.08 0.03 -0.78 0.00 0.00 0.00 178.15 178.19 1x5s h ASP 65 N 0.45 0.17 -1.17 1.72 1.82 -1.94 -2.77 116.42 114.71 1x5s h ASP 65 Ca 0.46 -0.21 0.35 0.00 -0.39 0.00 0.00 57.03 57.23 1x5s h ASP 65 Cb 0.74 -0.04 -0.11 0.00 0.68 0.00 0.00 39.33 40.59 1x5s h ASP 65 CO -0.44 0.34 0.75 0.44 -1.61 0.00 0.00 179.24 178.72 1x5s h ASP 66 N -0.01 0.35 0.63 2.28 5.19 -1.62 -0.24 116.42 123.00 1x5s h ASP 66 Ca 0.04 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 1x5s h ASP 66 Cb 0.23 0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.82 1x5s h ASP 66 CO -0.00 -0.05 -0.30 0.00 -3.12 0.00 0.00 179.24 175.76 1x5s h ALA 67 N 1.62 -0.91 -0.98 3.45 0.00 -1.20 -3.05 119.26 118.19 1x5s h ALA 67 Ca 0.71 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.66 1x5s h ALA 67 Cb 2.02 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 20.05 1x5s h ALA 67 CO -0.37 -0.85 0.63 1.57 0.00 0.00 0.00 179.25 180.23 1x5s h LYS 68 N -1.13 0.43 -0.95 0.00 2.10 -1.14 0.55 116.57 116.42 1x5s h LYS 68 Ca -0.09 -0.03 0.07 0.00 -2.00 0.00 0.00 60.65 58.61 1x5s h LYS 68 Cb 0.65 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 31.82 1x5s h LYS 68 CO 0.14 0.29 0.62 -0.44 -2.00 0.00 0.00 179.45 178.06 1x5s h ASP 69 N 0.44 0.96 0.64 7.07 5.19 -1.05 -2.16 116.42 127.51 1x5s h ASP 69 Ca 0.54 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.83 1x5s h ASP 69 Cb 1.29 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1x5s h ASP 69 CO -0.25 0.61 -1.46 0.00 -3.12 0.00 0.00 179.24 175.02 1x5s n ALA 70 N -2.38 2.11 0.15 3.45 0.00 0.64 -3.62 120.51 120.86 1x5s n ALA 70 Ca 0.15 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.92 1x5s n ALA 70 Cb 0.20 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.36 -0.41 0.00 -1.53 0.53 0.11 114.93 113.27 1x5s h MET 71 Ca -0.14 0.02 -0.11 0.00 -3.44 0.00 0.00 59.70 56.03 1x5s h MET 71 Cb 1.45 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 32.58 1x5s h MET 71 CO 0.03 -0.24 -0.17 0.00 0.14 0.00 0.00 176.91 176.67 1x5s h MET 72 N -0.38 0.83 0.35 0.39 -0.00 -1.61 0.36 114.93 114.86 1x5s h MET 72 Ca -0.01 -0.35 -0.01 0.00 -0.00 0.00 0.00 59.70 59.33 1x5s h MET 72 Cb 0.33 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.89 1x5s h MET 72 CO -0.00 0.98 -0.28 0.00 -0.00 0.00 0.00 176.91 177.61 1x5s h ALA 73 N 0.82 -0.63 -0.20 -3.00 0.00 -1.59 -2.95 119.26 111.72 1x5s h ALA 73 Ca 0.09 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1x5s h ALA 73 Cb 0.72 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x5s h ALA 73 CO 0.05 -0.88 -0.57 0.52 0.00 0.00 0.00 179.25 178.37 1x5s h MET 74 N -0.64 0.61 -5.13 0.00 2.86 -0.81 -3.42 114.93 108.40 1x5s h MET 74 Ca -0.03 -0.40 -0.48 0.00 -2.06 0.00 0.00 59.70 56.74 1x5s h MET 74 Cb 0.56 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.20 1x5s h MET 74 CO -0.02 1.01 1.72 -1.71 1.06 0.00 0.00 176.91 178.97 1x5s n ASN 75 N -3.96 0.65 -0.03 1.22 5.15 0.13 0.11 115.26 118.52 1x5s n ASN 75 Ca -0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1x5s n ASN 75 Cb 0.62 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 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 6.35 1.34 3.49 8.20 0.00 -1.26 -4.84 105.19 118.47 1x5s n GLY 76 Ca 0.60 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.05 2.74 -0.35 1.61 -0.14 0.30 -5.05 119.74 116.79 1x5s s LYS 77 Ca 0.00 -0.65 -0.20 0.00 -1.36 0.00 0.00 55.97 53.76 1x5s s LYS 77 Cb 0.00 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.66 1x5s s LYS 77 CO 0.00 0.56 0.60 -1.54 -0.76 0.00 0.00 175.35 174.21 1x5s s SER 78 N -0.54 6.40 -0.53 2.83 1.04 -1.26 -4.17 113.70 117.46 1x5s s SER 78 Ca 0.08 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.41 1x5s s SER 78 Cb -0.12 -2.31 0.07 0.00 0.10 0.00 0.00 66.02 63.76 1x5s s SER 78 CO 0.02 -0.56 0.65 0.54 0.98 0.00 0.00 173.24 174.86 1x5s s VAL 79 N 2.62 4.85 -1.00 5.02 0.11 -1.26 -4.30 120.40 126.44 1x5s s VAL 79 Ca 0.23 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 1x5s s VAL 79 Cb -0.15 -4.35 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 1x5s s VAL 79 CO 0.14 -0.89 0.85 0.47 -3.33 0.00 0.00 175.10 172.34 1x5s n ASP 80 N 6.23 -3.25 -2.24 3.54 8.00 -1.26 -3.67 116.55 123.90 1x5s n ASP 80 Ca -0.07 -0.47 -0.07 0.00 0.71 0.00 0.00 54.79 54.88 1x5s n ASP 80 Cb 0.45 -4.16 0.04 0.00 -0.02 0.00 0.00 41.12 37.42 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 -1.32 -0.00 2.66 0.44 0.00 -1.26 -5.07 105.19 100.64 1x5s n GLY 81 Ca -0.15 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.38 0.67 -2.29 1.61 5.12 -1.24 -5.08 116.66 113.07 1x5s n ARG 82 Ca -0.08 -2.74 -0.03 0.00 -1.93 0.00 0.00 57.85 53.07 1x5s n ARG 82 Cb 0.57 1.46 0.05 0.00 -1.16 0.00 0.00 32.46 33.38 1x5s n ARG 82 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1x5s n GLN 83 N -0.73 1.74 -1.46 5.56 6.02 -1.26 -4.29 117.38 122.95 1x5s n GLN 83 Ca -0.05 -3.33 -0.29 0.00 -0.01 0.00 0.00 57.00 53.32 1x5s n GLN 83 Cb 0.48 -1.43 0.13 0.00 1.02 0.00 0.00 30.24 30.45 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1x5s s ILE 84 N -3.19 2.41 0.06 5.09 -4.36 -1.26 -4.98 121.20 114.97 1x5s s ILE 84 Ca 0.33 0.13 -0.01 0.00 -0.26 0.00 0.00 60.65 60.85 1x5s s ILE 84 Cb 0.35 -2.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 1x5s s ILE 84 CO -0.05 -0.18 -0.02 -0.13 0.24 0.00 0.00 174.94 174.81 1x5s s ARG 85 N -5.17 0.67 -0.02 0.37 0.52 -1.19 -3.91 118.95 110.23 1x5s s ARG 85 Ca 0.63 -1.26 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1x5s s ARG 85 Cb -0.15 0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.53 1x5s s ARG 85 CO 0.54 -0.13 -0.04 0.08 0.02 0.00 0.00 175.30 175.77 1x5s s VAL 86 N -3.93 0.40 0.31 3.52 1.01 -1.26 -3.26 120.40 117.19 1x5s s VAL 86 Ca 0.10 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1x5s s VAL 86 Cb 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1x5s s VAL 86 CO -0.08 0.15 0.61 -1.81 0.00 0.00 0.00 175.10 173.97 1x5s s ASP 87 N 0.30 0.10 0.09 3.32 1.01 -1.19 -4.25 116.67 116.05 1x5s s ASP 87 Ca -0.03 -1.03 -0.32 0.00 0.71 0.00 0.00 52.55 51.87 1x5s s ASP 87 Cb -0.07 0.70 -0.11 0.00 1.01 0.00 0.00 42.92 44.45 1x5s s ASP 87 CO -0.00 -1.37 1.80 0.00 0.21 0.00 0.00 175.17 175.81 1x5s n GLN 88 N -0.48 2.57 0.08 8.23 10.64 -1.26 -0.94 117.38 136.21 1x5s n GLN 88 Ca -0.03 0.93 -0.04 0.00 -1.83 0.00 0.00 57.00 56.03 1x5s n GLN 88 Cb 0.61 -2.80 -0.02 0.00 -0.86 0.00 0.00 30.24 27.17 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1x5s h ALA 89 N 8.19 -0.36 -3.75 2.61 0.00 -1.66 -3.40 119.26 120.89 1x5s h ALA 89 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1x5s h ALA 89 Cb 1.24 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1x5s h ALA 89 CO 0.94 -0.34 -0.18 0.41 0.00 0.00 0.00 179.25 180.08 1x5s n GLY 90 N 0.91 -1.14 3.04 0.00 0.00 -1.17 -4.86 105.19 101.97 1x5s n GLY 90 Ca -0.03 0.31 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1x5s n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5s s LYS 91 N -1.44 0.45 -0.43 1.61 2.20 -1.24 -4.83 119.74 116.06 1x5s s LYS 91 Ca 0.07 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.75 1x5s s LYS 91 Cb -0.02 0.16 0.05 0.00 -1.51 0.00 0.00 37.83 36.51 1x5s s LYS 91 CO 0.26 -0.09 0.30 -1.12 -0.36 0.00 0.00 175.35 174.34 1x5s s SER 92 N -1.99 5.94 0.78 1.43 0.01 -1.26 -2.13 113.70 116.48 1x5s s SER 92 Ca -0.07 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 55.94 1x5s s SER 92 Cb -0.03 -2.10 0.13 0.00 0.21 0.00 0.00 66.02 64.23 1x5s s SER 92 CO -0.04 -0.52 1.08 -0.44 0.41 0.00 0.00 173.24 173.73 1x5s s SER 93 N 2.05 4.11 -0.19 2.44 0.01 -1.26 -5.09 113.70 115.77 1x5s s SER 93 Ca 0.04 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.15 1x5s s SER 93 Cb -0.22 -0.28 0.08 0.00 0.21 0.00 0.00 66.02 65.81 1x5s s SER 93 CO 0.07 -2.04 0.42 1.51 0.41 0.00 0.00 173.24 173.61 1x5s s ASP 94 N -4.74 -0.39 -0.29 2.44 -4.77 -1.26 -5.15 116.67 102.51 1x5s s ASP 94 Ca 0.67 0.96 -0.25 0.00 -3.30 0.00 0.00 52.55 50.63 1x5s s ASP 94 Cb -0.06 1.09 0.16 0.00 -1.09 0.00 0.00 42.92 43.02 1x5s s ASP 94 CO 0.46 -0.21 1.27 0.21 0.70 0.00 0.00 175.17 177.60 1x5s s ASN 95 N 2.04 -0.22 -0.12 2.11 2.47 -1.26 -5.09 114.94 114.87 1x5s s ASN 95 Ca -0.05 0.42 -0.06 0.00 0.42 0.00 0.00 52.86 53.58 1x5s s ASN 95 Cb -0.10 0.43 -0.02 0.00 -1.45 0.00 0.00 41.25 40.11 1x5s s ASN 95 CO -0.13 -0.07 -0.12 -0.09 -3.72 0.00 0.00 177.10 172.97 1x5s h ARG 96 N 3.60 0.00 -2.19 0.43 2.43 -2.10 -3.51 114.38 113.04 1x5s h ARG 96 Ca -0.28 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.11 1x5s h ARG 96 Cb 1.19 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.66 1x5s h ARG 96 CO 0.15 0.00 0.60 -1.12 -1.51 0.00 0.00 179.97 178.09 1x5s s SER 97 N -5.47 -0.10 0.07 -3.80 0.01 -1.26 -5.16 113.70 98.00 1x5s s SER 97 Ca -0.10 -0.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.52 1x5s s SER 97 Cb 0.01 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.59 1x5s s SER 97 CO 0.15 -0.78 0.70 -0.83 0.41 0.00 0.00 173.24 172.89 1x5s s GLY 98 N -3.11 2.76 0.16 3.44 0.00 -1.26 -5.03 107.32 104.28 1x5s s GLY 98 Ca 0.16 0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.78 1x5s s GLY 98 CO 0.02 0.85 1.33 2.56 0.00 0.00 0.00 173.10 177.86 1x5s s PRO 99 N -0.54 4.37 0.31 2.90 0.04 -1.26 -5.01 135.00 135.82 1x5s s PRO 99 Ca 0.34 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.24 1x5s s PRO 99 Cb -0.20 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.16 1x5s s PRO 99 CO 0.22 -0.31 0.81 0.45 0.04 0.00 0.00 177.00 178.21 1x5s s SER 100 N 0.63 -0.08 0.29 6.66 0.15 -1.26 -5.19 113.70 114.90 1x5s s SER 100 Ca 0.59 -0.89 -0.20 0.00 0.70 0.00 0.00 55.95 56.15 1x5s s SER 100 Cb -0.36 0.75 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1x5s s SER 100 CO 0.35 -1.45 0.72 -0.44 1.20 0.00 0.00 173.24 173.62 1x5s s SER 101 N -3.06 -0.23 0.00 5.45 0.01 -1.26 -5.31 113.70 109.31 1x5s s SER 101 Ca 0.15 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1x5s s SER 101 Cb -0.05 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1x5s s SER 101 CO 0.09 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 172.96