#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 2.63 -0.00 1.61 0.01 -1.26 -5.05 113.70 111.63 1x5s s SER 2 Ca 0.00 -0.44 -0.23 0.00 1.31 0.00 0.00 55.95 56.59 1x5s s SER 2 Cb 0.00 -0.85 -0.13 0.00 0.21 0.00 0.00 66.02 65.25 1x5s s SER 2 CO 0.00 0.18 0.95 0.28 0.41 0.00 0.00 173.24 175.06 1x5s h SER 3 N 6.32 -0.69 0.00 2.44 0.02 -2.12 -3.49 113.55 116.03 1x5s h SER 3 Ca -0.30 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1x5s h SER 3 Cb 1.19 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1x5s h SER 3 CO 0.47 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1x5s n GLY 4 N -0.30 0.89 3.58 -3.77 0.00 -1.26 -4.90 105.19 99.43 1x5s n GLY 4 Ca -0.10 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -4.00 5.75 0.49 1.61 0.15 -1.26 -4.98 113.70 111.45 1x5s s SER 5 Ca 0.00 0.90 -0.04 0.00 0.70 0.00 0.00 55.95 57.51 1x5s s SER 5 Cb 0.00 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1x5s s SER 5 CO 0.00 -1.90 0.78 -0.44 1.20 0.00 0.00 173.24 172.88 1x5s s SER 6 N 6.45 6.10 0.00 5.45 0.01 -1.26 -4.95 113.70 125.50 1x5s s SER 6 Ca 0.73 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.79 1x5s s SER 6 Cb -0.18 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1x5s s SER 6 CO 0.29 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1x5s n GLY 7 N -2.27 0.00 3.68 3.44 0.00 -1.26 -5.14 105.19 103.63 1x5s n GLY 7 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.22 -0.14 1.61 1.00 -1.26 -4.96 119.30 119.76 1x5s s MET 8 Ca 0.00 0.34 -0.14 0.00 0.00 0.00 0.00 55.69 55.90 1x5s s MET 8 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 34.83 31.25 1x5s s MET 8 CO 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 175.02 174.70 1x5s n ALA 9 N 4.43 1.34 -3.72 3.03 0.00 -1.26 -5.12 120.51 119.21 1x5s n ALA 9 Ca -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 53.44 52.67 1x5s n ALA 9 Cb 0.51 0.10 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1x5s n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5s s SER 10 N -6.11 -0.10 0.38 0.00 0.15 -1.26 -5.18 113.70 101.58 1x5s s SER 10 Ca -0.25 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.17 1x5s s SER 10 Cb 0.05 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1x5s s SER 10 CO 0.35 -0.63 0.24 -0.62 1.20 0.00 0.00 173.24 173.78 1x5s s ASP 11 N -3.05 4.82 -0.05 5.45 2.15 -1.26 -4.91 116.67 119.82 1x5s s ASP 11 Ca 0.15 -0.80 0.03 0.00 0.43 0.00 0.00 52.55 52.36 1x5s s ASP 11 Cb 0.01 -0.66 -0.05 0.00 -0.30 0.00 0.00 42.92 41.92 1x5s s ASP 11 CO -0.00 -0.47 -0.01 -0.62 -0.17 0.00 0.00 175.17 173.90 1x5s n GLU 12 N -1.32 2.02 0.00 4.34 -0.58 -1.26 -4.96 120.64 118.88 1x5s n GLU 12 Ca -0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1x5s n GLU 12 Cb 0.62 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x5s n GLY 13 N 2.91 1.03 3.79 0.62 0.00 -1.26 -4.50 105.19 107.78 1x5s n GLY 13 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 4.19 0.01 1.61 2.20 -1.26 -1.72 119.74 124.77 1x5s s LYS 14 Ca 0.00 0.61 0.08 0.00 -0.36 0.00 0.00 55.97 56.31 1x5s s LYS 14 Cb 0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1x5s s LYS 14 CO 0.00 0.50 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.74 1x5s s LEU 15 N -0.58 2.21 -0.39 5.43 1.43 -1.25 -2.98 118.68 122.55 1x5s s LEU 15 Ca 0.28 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 1x5s s LEU 15 Cb -0.18 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1x5s s LEU 15 CO 0.16 0.29 0.26 0.12 0.23 0.00 0.00 176.35 177.41 1x5s s PHE 16 N -0.74 3.24 -0.09 0.29 5.36 0.52 -3.77 117.98 122.78 1x5s s PHE 16 Ca 0.11 -0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 55.47 1x5s s PHE 16 Cb -0.10 -2.53 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 1x5s s PHE 16 CO 0.01 -0.55 0.04 0.08 -1.46 0.00 0.00 175.22 173.35 1x5s s VAL 17 N 1.66 4.67 0.05 3.12 1.01 -0.69 -2.46 120.40 127.76 1x5s s VAL 17 Ca 0.05 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1x5s s VAL 17 Cb -0.19 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1x5s s VAL 17 CO 0.09 0.60 -0.11 -0.83 0.00 0.00 0.00 175.10 174.85 1x5s s GLY 18 N -0.96 0.67 0.00 4.51 0.00 -1.13 -2.29 107.32 108.13 1x5s s GLY 18 Ca 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1x5s s GLY 18 CO 0.03 -0.85 0.00 0.61 0.00 0.00 0.00 173.10 172.90 1x5s n GLY 19 N 1.58 0.29 3.72 0.20 0.00 0.57 -2.56 105.19 108.98 1x5s n GLY 19 Ca -0.21 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.17 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 1.41 -4.73 0.99 4.77 -0.73 -4.71 117.00 114.00 1x5s n LEU 20 Ca 0.00 1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 56.79 1x5s n LEU 20 Cb 0.00 -0.96 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 1x5s n LEU 20 CO 0.00 -0.83 0.81 -0.55 -1.33 0.00 0.00 177.39 175.49 1x5s s SER 21 N 2.81 4.50 0.38 -1.43 0.15 -1.26 -4.33 113.70 114.52 1x5s s SER 21 Ca 1.02 2.37 0.15 0.00 0.70 0.00 0.00 55.95 60.18 1x5s s SER 21 Cb -1.36 -2.59 1.01 0.00 -1.71 0.00 0.00 66.02 61.37 1x5s s SER 21 CO 0.75 -2.06 1.79 2.19 1.20 0.00 0.00 173.24 177.12 1x5s h PHE 22 N 0.05 0.73 -0.27 3.44 -0.00 -1.91 0.35 116.94 119.33 1x5s h PHE 22 Ca -0.48 0.02 -0.09 0.00 -0.00 0.00 0.00 57.97 57.42 1x5s h PHE 22 Cb 1.30 -0.22 -0.01 0.00 -0.00 0.00 0.00 35.95 37.02 1x5s h PHE 22 CO 0.47 0.12 -0.23 0.22 -0.00 0.00 0.00 178.31 178.89 1x5s h ASP 23 N 0.48 0.51 -2.07 -0.68 3.58 -2.01 -3.42 116.42 112.82 1x5s h ASP 23 Ca 0.56 -0.17 -0.58 0.00 0.42 0.00 0.00 57.03 57.26 1x5s h ASP 23 Cb 1.28 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1x5s h ASP 23 CO -0.29 0.74 1.44 -0.89 -2.88 0.00 0.00 179.24 177.36 1x5s s THR 24 N -4.55 3.01 0.49 2.25 2.01 0.12 -4.95 115.64 114.02 1x5s s THR 24 Ca -0.07 0.01 0.04 0.00 0.31 0.00 0.00 61.69 61.98 1x5s s THR 24 Cb 0.14 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 1x5s s THR 24 CO 0.79 -0.01 0.12 0.20 -0.69 0.00 0.00 174.62 175.03 1x5s s ASN 25 N 7.53 4.25 0.25 3.53 0.01 -1.26 -4.79 114.94 124.46 1x5s s ASN 25 Ca 0.98 -1.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.66 1x5s s ASN 25 Cb -0.35 0.19 0.50 0.00 0.41 0.00 0.00 41.25 41.99 1x5s s ASN 25 CO 0.36 -0.79 1.68 -0.33 -1.51 0.00 0.00 177.10 176.51 1x5s h GLU 26 N 1.30 0.26 0.64 -0.60 5.08 -1.96 -0.99 114.58 118.30 1x5s h GLU 26 Ca -0.42 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1x5s h GLU 26 Cb 1.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1x5s h GLU 26 CO 0.71 0.17 -0.32 0.37 -1.00 0.00 0.00 179.01 178.94 1x5s h GLN 27 N 0.26 -0.85 -0.45 2.33 4.15 -1.98 -2.56 115.11 116.01 1x5s h GLN 27 Ca 0.43 0.06 0.09 0.00 0.77 0.00 0.00 58.65 60.00 1x5s h GLN 27 Cb 0.76 0.19 -0.10 0.00 0.21 0.00 0.00 27.48 28.55 1x5s h GLN 27 CO -0.53 -0.56 -0.27 0.77 -1.93 0.00 0.00 178.83 176.31 1x5s h SER 28 N -0.88 -0.90 -0.28 -0.69 0.02 -1.70 0.13 113.55 109.25 1x5s h SER 28 Ca -0.09 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1x5s h SER 28 Cb 0.68 0.46 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 1x5s h SER 28 CO 0.13 -0.28 -0.49 -0.07 -1.14 0.00 0.00 176.83 174.98 1x5s h LEU 29 N -0.17 -1.60 -0.61 5.07 3.38 -1.12 -0.99 115.31 119.27 1x5s h LEU 29 Ca 0.20 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.44 1x5s h LEU 29 Cb 0.50 0.66 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1x5s h LEU 29 CO -0.55 -0.42 0.32 -0.08 0.09 0.00 0.00 178.44 177.80 1x5s h GLU 30 N -0.45 0.59 -0.88 1.13 4.81 -0.95 0.41 114.58 119.24 1x5s h GLU 30 Ca 0.08 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.50 1x5s h GLU 30 Cb 0.63 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1x5s h GLU 30 CO -0.51 0.39 0.60 1.96 -0.73 0.00 0.00 179.01 180.72 1x5s h GLN 31 N 0.60 0.22 0.00 1.92 4.20 0.48 0.39 115.11 122.92 1x5s h GLN 31 Ca 0.27 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1x5s h GLN 31 Cb 0.18 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1x5s h GLN 31 CO -0.18 0.14 -0.36 0.28 -0.67 0.00 0.00 178.83 178.05 1x5s n VAL 32 N -4.41 0.79 -0.11 -0.54 0.31 -0.41 -4.10 118.33 109.86 1x5s n VAL 32 Ca 0.19 0.33 0.27 0.00 -0.01 0.00 0.00 64.34 65.12 1x5s n VAL 32 Cb 0.80 -1.98 0.66 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.55 0.00 -0.34 3.52 -1.00 -0.21 0.34 116.94 118.71 1x5s h PHE 33 Ca 0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1x5s h PHE 33 Cb 0.36 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1x5s h PHE 33 CO -0.15 0.00 0.03 1.03 -1.61 0.00 0.00 178.31 177.60 1x5s h SER 34 N 0.00 0.56 0.12 2.17 0.87 -0.35 -1.09 113.55 115.83 1x5s h SER 34 Ca 0.38 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1x5s h SER 34 Cb 1.98 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1x5s h SER 34 CO -0.00 0.71 -0.08 0.11 -0.53 0.00 0.00 176.83 177.03 1x5s h LYS 35 N 0.40 0.00 0.16 2.24 1.79 -0.46 -2.60 116.57 118.09 1x5s h LYS 35 Ca 0.10 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.33 1x5s h LYS 35 Cb 0.40 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.08 1x5s h LYS 35 CO 0.01 0.08 -1.03 1.88 -1.08 0.00 0.00 179.45 179.31 1x5s h TYR 36 N 0.00 0.73 -2.37 -1.35 -1.99 -1.34 -3.49 116.97 107.15 1x5s h TYR 36 Ca -0.00 -0.51 0.07 0.00 2.00 0.00 0.00 58.73 60.28 1x5s h TYR 36 Cb 0.16 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1x5s h TYR 36 CO 0.00 1.39 0.33 0.41 -0.00 0.00 0.00 178.16 180.28 1x5s n GLY 37 N 1.60 0.99 3.77 3.88 0.00 -0.45 -4.76 105.19 110.22 1x5s n GLY 37 Ca -0.14 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.04 4.18 0.16 1.61 0.74 -1.26 -4.00 119.66 119.04 1x5s s GLN 38 Ca 0.14 1.65 0.09 0.00 0.05 0.00 0.00 55.36 57.29 1x5s s GLN 38 Cb -0.02 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 1x5s s GLN 38 CO 0.05 -0.16 -0.21 0.42 -0.55 0.00 0.00 175.29 174.84 1x5s s ILE 39 N -1.52 1.95 -0.05 -2.34 1.01 -1.26 -4.51 121.20 114.47 1x5s s ILE 39 Ca 0.56 -1.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 1x5s s ILE 39 Cb -0.26 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1x5s s ILE 39 CO 0.33 -0.19 -0.06 -0.24 0.00 0.00 0.00 174.94 174.78 1x5s n SER 40 N 0.50 2.53 -3.47 3.58 2.88 0.23 -4.77 113.62 115.10 1x5s n SER 40 Ca -0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.29 1x5s n SER 40 Cb 0.56 -0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.11 1.14 0.04 -1.46 2.12 -1.02 -4.95 118.70 112.46 1x5s s GLU 41 Ca -0.07 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.85 1x5s s GLU 41 Cb 0.02 0.51 -0.02 0.00 0.26 0.00 0.00 34.13 34.90 1x5s s GLU 41 CO 0.12 -0.50 -0.10 0.08 -0.54 0.00 0.00 175.26 174.32 1x5s s VAL 42 N -3.53 0.72 -0.03 3.70 1.01 -1.26 0.66 120.40 121.67 1x5s s VAL 42 Ca 0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1x5s s VAL 42 Cb -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1x5s s VAL 42 CO -0.11 -0.26 0.04 -0.69 0.00 0.00 0.00 175.10 174.08 1x5s s VAL 43 N -1.19 -0.04 -0.29 2.92 1.01 0.95 -4.97 120.40 118.80 1x5s s VAL 43 Ca -0.06 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1x5s s VAL 43 Cb -0.09 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.21 1x5s s VAL 43 CO 0.01 0.14 -0.05 -0.69 0.00 0.00 0.00 175.10 174.51 1x5s s VAL 44 N 1.58 2.22 0.42 2.92 1.01 -1.26 -0.56 120.40 126.73 1x5s s VAL 44 Ca -0.03 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 59.83 1x5s s VAL 44 Cb -0.13 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 1x5s s VAL 44 CO -0.03 -0.22 1.30 0.52 0.00 0.00 0.00 175.10 176.67 1x5s n VAL 45 N 4.37 2.57 -4.02 2.92 0.31 -1.23 -4.94 118.33 118.31 1x5s n VAL 45 Ca -0.08 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 1x5s n VAL 45 Cb 0.42 -1.62 -0.12 0.00 -0.91 0.00 0.00 33.84 31.61 1x5s n VAL 45 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1x5s s LYS 46 N -2.24 0.39 1.15 5.55 1.02 -1.26 -2.36 119.74 121.99 1x5s s LYS 46 Ca 0.61 -0.59 -0.16 0.00 0.02 0.00 0.00 55.97 55.85 1x5s s LYS 46 Cb -0.50 -0.12 0.24 0.00 -0.52 0.00 0.00 37.83 36.94 1x5s s LYS 46 CO 0.58 0.01 0.53 -3.47 -0.92 0.00 0.00 175.35 172.09 1x5s n ASP 47 N 1.78 -3.37 -0.01 2.83 2.03 -1.26 -4.85 116.55 113.70 1x5s n ASP 47 Ca -0.21 -0.54 0.05 0.00 0.52 0.00 0.00 54.79 54.60 1x5s n ASP 47 Cb 0.56 -0.84 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 1x5s n ASP 47 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x5s n ARG 48 N -3.07 0.58 -0.03 -0.67 1.74 -1.26 -3.59 116.66 110.35 1x5s n ARG 48 Ca 0.08 -0.11 -0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1x5s n ARG 48 Cb 0.41 -1.31 -0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1x5s n ARG 48 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x5s h GLU 49 N 0.00 0.00 0.00 5.56 4.39 -2.06 -3.40 114.58 119.06 1x5s h GLU 49 Ca -0.04 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.37 1x5s h GLU 49 Cb 0.72 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.32 1x5s h GLU 49 CO 0.00 0.00 -1.75 -2.37 -1.16 0.00 0.00 179.01 173.73 1x5s n THR 50 N -3.83 1.56 -3.37 1.13 5.66 -1.26 -5.00 114.28 109.17 1x5s n THR 50 Ca -0.00 -0.80 -0.18 0.00 -3.05 0.00 0.00 64.05 60.02 1x5s n THR 50 Cb 0.02 -0.97 0.08 0.00 -1.55 0.00 0.00 70.33 67.91 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 -3.01 -6.46 0.00 1.09 1.13 -1.24 -4.98 117.38 103.92 1x5s n GLN 51 Ca -0.18 0.77 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 1x5s n GLN 51 Cb 1.05 -5.57 0.00 0.00 0.11 0.00 0.00 30.24 25.83 1x5s n GLN 51 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x5s n ARG 52 N -4.11 0.00 -3.65 -1.09 1.74 -1.26 -4.81 116.66 103.48 1x5s n ARG 52 Ca -0.17 0.02 -0.04 0.00 -0.77 0.00 0.00 57.85 56.89 1x5s n ARG 52 Cb 0.62 -0.30 -0.07 0.00 -1.02 0.00 0.00 32.46 31.69 1x5s n ARG 52 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1x5s s SER 53 N -2.58 -0.23 -0.04 0.55 0.01 -1.26 -4.79 113.70 105.36 1x5s s SER 53 Ca 0.00 0.41 -0.01 0.00 1.31 0.00 0.00 55.95 57.66 1x5s s SER 53 Cb 0.00 0.61 -0.00 0.00 0.21 0.00 0.00 66.02 66.84 1x5s s SER 53 CO 0.00 -0.07 -0.03 0.03 0.41 0.00 0.00 173.24 173.58 1x5s h ARG 54 N 4.13 0.00 0.00 12.44 2.47 -1.81 -3.43 114.38 128.18 1x5s h ARG 54 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1x5s h ARG 54 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1x5s h ARG 54 CO 0.17 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.11 1x5s n GLY 55 N 1.82 0.00 3.83 0.04 0.00 -1.26 -4.92 105.19 104.70 1x5s n GLY 55 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.02 1.61 -0.71 -1.26 -0.32 117.98 117.26 1x5s s PHE 56 Ca 0.00 -0.44 -0.06 0.00 -1.04 0.00 0.00 56.93 55.39 1x5s s PHE 56 Cb 0.00 0.74 0.02 0.00 -1.21 0.00 0.00 43.02 42.57 1x5s s PHE 56 CO 0.00 -1.27 0.29 0.41 -1.34 0.00 0.00 175.22 173.31 1x5s n GLY 57 N -0.50 0.85 3.48 1.99 0.00 -0.97 -3.53 105.19 106.51 1x5s n GLY 57 Ca -0.06 -0.94 -0.13 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 -4.01 -0.65 -0.22 1.61 0.40 0.28 -1.71 117.98 113.67 1x5s s PHE 58 Ca 0.07 1.56 0.02 0.00 -0.60 0.00 0.00 56.93 57.98 1x5s s PHE 58 Cb -0.00 0.24 0.04 0.00 0.51 0.00 0.00 43.02 43.81 1x5s s PHE 58 CO 0.01 -0.32 -0.14 0.08 0.70 0.00 0.00 175.22 175.55 1x5s s VAL 59 N 0.44 2.00 -0.09 -0.44 1.01 -1.25 -0.03 120.40 122.04 1x5s s VAL 59 Ca -0.01 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 1x5s s VAL 59 Cb -0.04 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1x5s s VAL 59 CO -0.01 0.22 1.23 -0.89 0.00 0.00 0.00 175.10 175.65 1x5s s THR 60 N 1.24 4.23 -0.12 3.92 2.01 0.21 -3.81 115.64 123.32 1x5s s THR 60 Ca -0.02 1.54 -0.06 0.00 0.31 0.00 0.00 61.69 63.46 1x5s s THR 60 Cb -0.17 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1x5s s THR 60 CO -0.09 -0.04 0.12 -0.36 -0.69 0.00 0.00 174.62 173.56 1x5s s PHE 61 N 2.62 3.53 0.16 4.92 0.40 -0.70 0.77 117.98 129.68 1x5s s PHE 61 Ca 0.56 0.48 -0.15 0.00 -0.60 0.00 0.00 56.93 57.21 1x5s s PHE 61 Cb -0.24 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.39 1x5s s PHE 61 CO 0.20 0.68 1.82 0.93 0.70 0.00 0.00 175.22 179.55 1x5s h GLU 62 N 5.09 0.58 -5.21 0.44 4.39 -1.86 -3.41 114.58 114.60 1x5s h GLU 62 Ca -0.54 -0.04 -0.64 0.00 0.34 0.00 0.00 59.36 58.49 1x5s h GLU 62 Cb 1.22 -0.13 -0.22 0.00 -0.10 0.00 0.00 28.75 29.52 1x5s h GLU 62 CO 0.58 0.39 -0.66 -0.80 -1.16 0.00 0.00 179.01 177.36 1x5s s ASN 63 N -5.60 4.85 0.26 1.42 0.01 -1.26 -5.00 114.94 109.62 1x5s s ASN 63 Ca -0.13 -0.16 -0.03 0.00 -0.71 0.00 0.00 52.86 51.83 1x5s s ASN 63 Cb 0.11 -1.81 0.53 0.00 0.41 0.00 0.00 41.25 40.49 1x5s s ASN 63 CO 0.73 0.12 1.68 0.40 -1.51 0.00 0.00 177.10 178.52 1x5s h ILE 64 N 5.25 0.49 -0.46 0.60 2.04 -1.79 0.20 117.51 123.84 1x5s h ILE 64 Ca -0.34 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1x5s h ILE 64 Cb 1.18 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1x5s h ILE 64 CO 0.62 0.05 0.26 -0.78 0.00 0.00 0.00 178.15 178.30 1x5s h ASP 65 N 0.29 0.40 -0.36 1.72 3.58 -1.94 -2.75 116.42 117.37 1x5s h ASP 65 Ca 0.45 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.99 1x5s h ASP 65 Cb 0.80 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.70 1x5s h ASP 65 CO -0.53 0.28 -0.22 -0.78 -2.88 0.00 0.00 179.24 175.12 1x5s h ASP 66 N 0.51 -0.74 -0.55 2.28 3.58 -1.37 -1.82 116.42 118.32 1x5s h ASP 66 Ca 0.19 0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.90 1x5s h ASP 66 Cb 0.05 0.38 -0.11 0.00 1.72 0.00 0.00 39.33 41.37 1x5s h ASP 66 CO -0.11 -0.25 -0.30 0.00 -2.88 0.00 0.00 179.24 175.70 1x5s h ALA 67 N 1.01 0.00 0.14 -0.78 0.00 -1.18 -1.80 119.26 116.66 1x5s h ALA 67 Ca 0.18 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1x5s h ALA 67 Cb 0.45 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1x5s h ALA 67 CO -0.46 -0.64 -0.42 0.87 0.00 0.00 0.00 179.25 178.59 1x5s h LYS 68 N -0.16 -0.64 -1.00 0.00 1.57 -1.28 0.32 116.57 115.38 1x5s h LYS 68 Ca 0.23 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.21 1x5s h LYS 68 Cb 0.53 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 32.83 1x5s h LYS 68 CO -0.64 -0.43 -0.38 -3.47 -0.57 0.00 0.00 179.45 173.96 1x5s n ASP 69 N -5.47 -0.64 0.22 0.86 -0.08 -0.72 0.18 116.55 110.90 1x5s n ASP 69 Ca -0.07 1.74 0.10 0.00 -1.51 0.00 0.00 54.79 55.05 1x5s n ASP 69 Cb 0.38 -0.41 0.43 0.00 2.34 0.00 0.00 41.12 43.87 1x5s n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x5s h ALA 70 N 1.41 1.00 0.57 -1.67 0.00 -0.96 -2.70 119.26 116.90 1x5s h ALA 70 Ca 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1x5s h ALA 70 Cb 0.60 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1x5s h ALA 70 CO -0.99 0.28 -0.28 1.98 0.00 0.00 0.00 179.25 180.24 1x5s h MET 71 N 0.00 -0.74 -0.07 0.00 1.85 0.59 0.17 114.93 116.72 1x5s h MET 71 Ca -0.00 0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1x5s h MET 71 Cb 0.79 0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.98 1x5s h MET 71 CO 0.03 -0.49 0.05 0.00 -0.40 0.00 0.00 176.91 176.09 1x5s h MET 72 N -1.21 0.07 0.04 0.39 -0.00 -0.77 1.20 114.93 114.66 1x5s h MET 72 Ca -0.08 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1x5s h MET 72 Cb 0.59 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1x5s h MET 72 CO 0.13 0.05 -0.02 0.00 -0.00 0.00 0.00 176.91 177.06 1x5s h ALA 73 N 1.96 -0.06 0.00 -3.00 0.00 -1.48 -3.25 119.26 113.43 1x5s h ALA 73 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x5s h ALA 73 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1x5s h ALA 73 CO -0.00 -0.17 0.00 -1.33 0.00 0.00 0.00 179.25 177.75 1x5s n MET 74 N -4.78 0.01 -1.54 0.00 2.81 0.58 -4.66 117.12 109.53 1x5s n MET 74 Ca -0.08 0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.67 1x5s n MET 74 Cb 0.32 -1.51 -0.11 0.00 -0.71 0.00 0.00 33.22 31.21 1x5s n MET 74 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1x5s n ASN 75 N -1.53 0.91 -0.84 7.83 4.05 0.41 -1.30 115.26 124.78 1x5s n ASN 75 Ca 0.07 -1.19 0.00 0.00 0.45 0.00 0.00 54.58 53.91 1x5s n ASN 75 Cb 0.33 -1.34 0.00 0.00 1.23 0.00 0.00 39.78 40.00 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x5s n GLY 76 N 6.43 0.56 3.53 8.20 0.00 -1.26 -4.73 105.19 117.92 1x5s n GLY 76 Ca 0.53 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1x5s n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5s s LYS 77 N -3.96 3.04 -0.27 1.61 0.00 -0.42 -4.94 119.74 114.80 1x5s s LYS 77 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 55.97 55.11 1x5s s LYS 77 Cb 0.00 -2.66 0.01 0.00 0.00 0.00 0.00 37.83 35.18 1x5s s LYS 77 CO 0.00 0.50 1.14 -1.54 0.00 0.00 0.00 175.35 175.45 1x5s s SER 78 N -0.37 6.93 -0.10 0.03 1.04 -1.26 -4.09 113.70 115.88 1x5s s SER 78 Ca 0.05 1.26 -0.03 0.00 0.48 0.00 0.00 55.95 57.71 1x5s s SER 78 Cb -0.12 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1x5s s SER 78 CO 0.02 -0.85 0.01 0.54 0.98 0.00 0.00 173.24 173.95 1x5s s VAL 79 N 3.65 4.39 -0.63 5.02 0.11 -1.25 -4.52 120.40 127.17 1x5s s VAL 79 Ca 0.49 -0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 59.24 1x5s s VAL 79 Cb -0.15 -2.86 0.08 0.00 -1.53 0.00 0.00 36.38 31.91 1x5s s VAL 79 CO 0.14 0.59 0.20 -0.67 -3.33 0.00 0.00 175.10 172.03 1x5s n ASP 80 N 2.32 -1.30 -0.97 3.54 -0.08 -1.26 0.09 116.55 118.90 1x5s n ASP 80 Ca -0.18 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.02 1x5s n ASP 80 Cb 0.54 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.78 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5s n GLY 81 N -0.69 0.46 1.77 0.27 0.00 -1.26 -5.09 105.19 100.65 1x5s n GLY 81 Ca 0.04 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.97 0.90 -2.08 1.61 5.12 0.11 -5.08 116.66 116.28 1x5s n ARG 82 Ca 0.00 -1.82 -0.03 0.00 -1.93 0.00 0.00 57.85 54.07 1x5s n ARG 82 Cb 0.49 0.86 0.05 0.00 -1.16 0.00 0.00 32.46 32.71 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 -0.52 1.66 -1.47 5.56 0.00 -1.26 -3.91 117.38 117.44 1x5s n GLN 83 Ca -0.05 -3.24 -0.29 0.00 0.00 0.00 0.00 57.00 53.42 1x5s n GLN 83 Cb 0.32 -1.34 0.13 0.00 0.00 0.00 0.00 30.24 29.34 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 -2.95 2.43 0.14 -0.39 -4.36 -1.26 -4.94 121.20 109.86 1x5s s ILE 84 Ca 0.35 0.14 0.01 0.00 -0.26 0.00 0.00 60.65 60.88 1x5s s ILE 84 Cb 0.36 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 1x5s s ILE 84 CO -0.06 -0.18 0.01 -0.13 0.24 0.00 0.00 174.94 174.82 1x5s s ARG 85 N -5.17 0.97 0.01 0.37 3.00 -1.06 -2.82 118.95 114.25 1x5s s ARG 85 Ca 0.63 -1.45 0.06 0.00 0.00 0.00 0.00 55.73 54.96 1x5s s ARG 85 Cb -0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 34.95 34.72 1x5s s ARG 85 CO 0.54 -0.15 -0.17 0.08 0.00 0.00 0.00 175.30 175.60 1x5s s VAL 86 N -3.79 1.35 0.08 3.52 1.01 -1.23 -2.82 120.40 118.51 1x5s s VAL 86 Ca 0.21 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1x5s s VAL 86 Cb 0.07 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1x5s s VAL 86 CO 0.01 0.27 0.41 -1.81 0.00 0.00 0.00 175.10 173.98 1x5s s ASP 87 N -0.69 -0.27 0.17 3.32 1.01 -1.03 -4.37 116.67 114.80 1x5s s ASP 87 Ca 0.06 -0.12 -0.31 0.00 0.71 0.00 0.00 52.55 52.89 1x5s s ASP 87 Cb -0.07 0.45 -0.09 0.00 1.01 0.00 0.00 42.92 44.22 1x5s s ASP 87 CO 0.00 -0.75 1.37 0.00 0.21 0.00 0.00 175.17 176.01 1x5s s GLN 88 N -3.03 4.34 -0.11 8.23 0.00 -1.26 -0.36 119.66 127.47 1x5s s GLN 88 Ca -0.02 2.11 -0.23 0.00 -0.00 0.00 0.00 55.36 57.22 1x5s s GLN 88 Cb 0.00 -3.20 -0.27 0.00 0.00 0.00 0.00 33.01 29.54 1x5s s GLN 88 CO -0.06 -0.37 0.69 0.00 0.00 0.00 0.00 175.29 175.55 1x5s h ALA 89 N 5.99 0.04 0.00 2.60 0.00 -1.84 -3.42 119.26 122.63 1x5s h ALA 89 Ca -0.44 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1x5s h ALA 89 Cb 1.21 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1x5s h ALA 89 CO 0.82 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1x5s n GLY 90 N 1.63 0.38 3.85 0.00 0.00 -1.26 -4.98 105.19 104.81 1x5s n GLY 90 Ca -0.17 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 3.99 0.36 1.61 2.20 -1.26 -4.28 119.74 122.36 1x5s s LYS 91 Ca 0.00 0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 56.12 1x5s s LYS 91 Cb 0.00 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 1x5s s LYS 91 CO 0.00 0.31 0.64 0.45 -0.36 0.00 0.00 175.35 176.39 1x5s s SER 92 N -2.07 6.41 -0.16 1.43 0.15 -1.26 -5.09 113.70 113.11 1x5s s SER 92 Ca 0.47 0.81 0.01 0.00 0.70 0.00 0.00 55.95 57.94 1x5s s SER 92 Cb -0.13 -2.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1x5s s SER 92 CO 0.19 -0.32 -0.18 -0.94 1.20 0.00 0.00 173.24 173.19 1x5s s SER 93 N -3.44 3.36 0.38 5.45 1.04 -1.26 -5.11 113.70 114.12 1x5s s SER 93 Ca 0.46 -0.56 0.05 0.00 0.48 0.00 0.00 55.95 56.37 1x5s s SER 93 Cb -0.10 -1.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 1x5s s SER 93 CO 0.34 0.05 0.18 -1.81 0.98 0.00 0.00 173.24 172.98 1x5s s ASP 94 N 0.98 2.42 -0.35 7.02 1.01 -1.26 -5.13 116.67 121.36 1x5s s ASP 94 Ca -0.03 -1.70 -0.06 0.00 0.71 0.00 0.00 52.55 51.47 1x5s s ASP 94 Cb -0.15 0.54 0.05 0.00 1.01 0.00 0.00 42.92 44.37 1x5s s ASP 94 CO -0.04 -0.98 0.12 0.21 0.21 0.00 0.00 175.17 174.69 1x5s s ASN 95 N -3.53 5.32 -0.04 0.27 3.84 -1.26 -5.08 114.94 114.46 1x5s s ASN 95 Ca 0.29 -1.25 0.03 0.00 0.21 0.00 0.00 52.86 52.14 1x5s s ASN 95 Cb 0.02 -1.87 0.01 0.00 -0.55 0.00 0.00 41.25 38.86 1x5s s ASN 95 CO 0.18 -0.36 -0.12 -0.13 -2.79 0.00 0.00 177.10 173.89 1x5s s ARG 96 N 1.38 1.36 -0.26 0.43 0.52 -1.26 -5.04 118.95 116.08 1x5s s ARG 96 Ca -0.01 -0.39 -0.17 0.00 -0.52 0.00 0.00 55.73 54.64 1x5s s ARG 96 Cb -0.20 -1.20 -0.14 0.00 0.52 0.00 0.00 34.95 33.93 1x5s s ARG 96 CO 0.02 0.10 -0.17 0.43 0.02 0.00 0.00 175.30 175.71 1x5s n SER 97 N 3.47 1.93 0.00 0.23 7.64 -1.26 -5.07 113.62 120.55 1x5s n SER 97 Ca -0.20 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1x5s n SER 97 Cb 0.53 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1x5s n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5s n GLY 98 N 1.31 0.61 3.56 0.23 0.00 -1.26 -5.06 105.19 104.59 1x5s n GLY 98 Ca -0.47 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1x5s n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5s s PRO 99 N 0.00 2.85 1.16 1.61 0.04 -1.26 -4.98 135.00 134.42 1x5s s PRO 99 Ca 0.00 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 1x5s s PRO 99 Cb 0.00 -4.32 0.27 0.00 0.04 0.00 0.00 34.50 30.49 1x5s s PRO 99 CO 0.00 -2.45 1.05 -1.12 0.04 0.00 0.00 177.00 174.52 1x5s s SER 100 N 7.35 1.17 0.00 6.66 0.01 -1.26 -5.02 113.70 122.61 1x5s s SER 100 Ca 0.70 1.11 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1x5s s SER 100 Cb -0.15 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1x5s s SER 100 CO 0.24 -4.03 0.00 -1.54 0.41 0.00 0.00 173.24 168.33 1x5s n SER 101 N -4.76 0.01 0.00 2.44 3.41 -1.26 -5.31 113.62 108.15 1x5s n SER 101 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1x5s n SER 101 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1x5s n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49