#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t n SER 2 N 0.00 2.70 -3.82 1.61 3.41 -1.26 -4.97 113.62 111.28 1x5t n SER 2 Ca 0.00 1.18 -0.30 0.00 -0.26 0.00 0.00 58.87 59.49 1x5t n SER 2 Cb 0.00 -1.45 -0.14 0.00 -0.26 0.00 0.00 64.21 62.36 1x5t n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5t s SER 3 N -0.07 4.01 -0.10 4.04 0.15 -0.75 -4.98 113.70 116.00 1x5t s SER 3 Ca 0.61 -2.63 -0.07 0.00 0.70 0.00 0.00 55.95 54.56 1x5t s SER 3 Cb -0.61 -1.28 0.03 0.00 -1.71 0.00 0.00 66.02 62.45 1x5t s SER 3 CO 0.57 -0.28 0.14 0.61 1.20 0.00 0.00 173.24 175.48 1x5t n GLY 4 N 3.57 -4.43 3.68 9.45 0.00 -1.26 -3.81 105.19 112.39 1x5t n GLY 4 Ca 0.06 1.05 -0.43 0.00 0.00 0.00 0.00 46.02 46.70 1x5t n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5t n SER 5 N 1.89 4.01 -2.25 1.61 7.64 -1.26 -4.30 113.62 120.96 1x5t n SER 5 Ca -0.24 0.96 -0.26 0.00 1.01 0.00 0.00 58.87 60.34 1x5t n SER 5 Cb 0.37 -1.52 0.02 0.00 -1.01 0.00 0.00 64.21 62.07 1x5t n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5t n SER 6 N 6.29 5.07 -3.71 6.43 3.41 -1.26 -4.98 113.62 124.86 1x5t n SER 6 Ca 0.19 -3.74 -0.40 0.00 -0.26 0.00 0.00 58.87 54.66 1x5t n SER 6 Cb 0.38 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1x5t n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5t n GLY 7 N -0.62 -1.68 3.09 5.00 0.00 -1.26 -4.36 105.19 105.36 1x5t n GLY 7 Ca 0.43 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.49 1x5t n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5t s ILE 8 N -0.98 0.86 -0.12 -0.61 -4.36 0.67 -3.70 121.20 112.96 1x5t s ILE 8 Ca 0.53 -0.84 -0.09 0.00 -0.26 0.00 0.00 60.65 59.99 1x5t s ILE 8 Cb -0.73 -0.80 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 1x5t s ILE 8 CO 0.49 -0.03 0.19 0.12 0.24 0.00 0.00 174.94 175.94 1x5t s PHE 9 N -0.79 3.57 -0.04 1.37 2.19 -0.78 -2.18 117.98 121.32 1x5t s PHE 9 Ca -0.00 0.56 0.03 0.00 0.33 0.00 0.00 56.93 57.84 1x5t s PHE 9 Cb -0.07 -2.06 0.01 0.00 -1.31 0.00 0.00 43.02 39.59 1x5t s PHE 9 CO 0.01 0.60 -0.11 0.42 1.83 0.00 0.00 175.22 177.97 1x5t s ILE 10 N -0.66 0.94 0.19 3.12 1.01 -0.45 -1.86 121.20 123.49 1x5t s ILE 10 Ca 0.15 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1x5t s ILE 10 Cb -0.13 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 1x5t s ILE 10 CO 0.04 0.30 -0.07 -0.83 0.00 0.00 0.00 174.94 174.38 1x5t s GLY 11 N 0.36 1.30 -0.60 6.18 0.00 -1.06 0.03 107.32 113.53 1x5t s GLY 11 Ca -0.07 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.02 1x5t s GLY 11 CO 0.01 -1.64 0.51 -2.01 0.00 0.00 0.00 173.10 169.97 1x5t n ASN 12 N -0.31 -2.88 -4.46 1.64 5.15 0.76 -2.17 115.26 113.00 1x5t n ASN 12 Ca -0.08 -0.34 -0.38 0.00 -0.60 0.00 0.00 54.58 53.18 1x5t n ASN 12 Cb 0.62 -2.95 -0.12 0.00 -0.53 0.00 0.00 39.78 36.80 1x5t n ASN 12 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x5t s LEU 13 N -4.28 3.84 0.22 1.20 1.43 -0.56 -3.88 118.68 116.64 1x5t s LEU 13 Ca 0.09 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1x5t s LEU 13 Cb -0.01 -1.98 -0.16 0.00 0.03 0.00 0.00 46.19 44.06 1x5t s LEU 13 CO 0.39 -0.12 0.66 -0.67 0.23 0.00 0.00 176.35 176.84 1x5t n ASP 14 N 4.97 -0.56 0.00 2.29 -0.08 -1.26 -4.68 116.55 117.22 1x5t n ASP 14 Ca -0.15 1.14 0.08 0.00 -1.51 0.00 0.00 54.79 54.35 1x5t n ASP 14 Cb 0.50 -1.04 0.46 0.00 2.34 0.00 0.00 41.12 43.39 1x5t n ASP 14 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x5t n PRO 15 N 0.95 0.48 0.00 -0.67 -0.04 -1.26 -1.87 135.00 132.59 1x5t n PRO 15 Ca 0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1x5t n PRO 15 Cb 0.26 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1x5t n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x5t n GLU 16 N -1.01 0.47 -3.06 0.54 -0.58 -1.26 -4.85 120.64 110.89 1x5t n GLU 16 Ca 0.12 -0.38 -0.35 0.00 -0.42 0.00 0.00 57.16 56.12 1x5t n GLU 16 Cb 0.06 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.37 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1x5t s ILE 17 N -2.79 4.56 0.28 -3.67 1.01 -0.78 -5.09 121.20 114.72 1x5t s ILE 17 Ca 0.13 1.24 0.05 0.00 0.00 0.00 0.00 60.65 62.07 1x5t s ILE 17 Cb 0.17 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1x5t s ILE 17 CO 0.74 0.03 -0.00 -0.62 0.00 0.00 0.00 174.94 175.09 1x5t s ASP 18 N -1.89 2.37 0.24 3.58 2.15 -1.26 -5.01 116.67 116.85 1x5t s ASP 18 Ca 0.49 -1.27 -0.06 0.00 0.43 0.00 0.00 52.55 52.14 1x5t s ASP 18 Cb -0.14 -0.09 0.43 0.00 -0.30 0.00 0.00 42.92 42.82 1x5t s ASP 18 CO 0.19 -0.48 1.67 -0.33 -0.17 0.00 0.00 175.17 176.05 1x5t h GLU 19 N 2.27 0.21 -0.03 4.34 5.08 -1.98 -1.75 114.58 122.72 1x5t h GLU 19 Ca -0.40 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1x5t h GLU 19 Cb 1.23 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 1x5t h GLU 19 CO 0.67 0.14 -0.50 0.87 -1.00 0.00 0.00 179.01 179.20 1x5t h LYS 20 N 0.21 -0.60 0.03 2.33 1.57 -1.96 -0.72 116.57 117.43 1x5t h LYS 20 Ca 0.40 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1x5t h LYS 20 Cb 0.68 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1x5t h LYS 20 CO -0.54 -0.40 -0.06 1.25 -0.57 0.00 0.00 179.45 179.14 1x5t h LEU 21 N -0.63 -0.16 -0.85 2.94 5.85 -1.75 -2.34 115.31 118.37 1x5t h LEU 21 Ca 0.03 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.01 1x5t h LEU 21 Cb 0.70 0.06 -0.16 0.00 0.37 0.00 0.00 40.66 41.63 1x5t h LEU 21 CO -0.36 -0.06 0.04 0.18 -0.34 0.00 0.00 178.44 177.90 1x5t n LEU 22 N -2.71 -0.08 -0.03 2.25 4.77 -0.82 0.48 117.00 120.86 1x5t n LEU 22 Ca -0.01 1.44 -0.10 0.00 -0.03 0.00 0.00 56.01 57.30 1x5t n LEU 22 Cb 0.05 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 1x5t n LEU 22 CO 0.02 -1.46 0.63 0.22 -1.33 0.00 0.00 177.39 175.46 1x5t h TYR 23 N 0.00 -0.97 0.05 -1.77 5.03 -0.59 -0.19 116.97 118.53 1x5t h TYR 23 Ca 0.52 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.88 1x5t h TYR 23 Cb 1.10 0.46 0.00 0.00 1.55 0.00 0.00 36.73 39.84 1x5t h TYR 23 CO -0.41 -0.41 -0.03 0.22 -1.32 0.00 0.00 178.16 176.21 1x5t h ASP 24 N -0.38 -0.06 -1.28 -2.11 3.58 0.31 0.32 116.42 116.80 1x5t h ASP 24 Ca 0.11 -0.46 0.39 0.00 0.42 0.00 0.00 57.03 57.50 1x5t h ASP 24 Cb 0.56 0.02 -0.11 0.00 1.72 0.00 0.00 39.33 41.52 1x5t h ASP 24 CO -0.42 0.44 0.85 0.74 -2.88 0.00 0.00 179.24 177.97 1x5t h THR 25 N -0.59 0.25 0.07 2.25 2.02 -0.28 -0.05 112.91 116.58 1x5t h THR 25 Ca -0.01 -0.05 -0.37 0.00 0.77 0.00 0.00 66.41 66.76 1x5t h THR 25 Cb 0.51 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1x5t h THR 25 CO 0.01 0.03 -2.10 0.49 0.37 0.00 0.00 175.52 174.32 1x5t n PHE 26 N -4.56 0.81 -0.26 3.16 3.01 -0.10 -4.39 117.46 115.12 1x5t n PHE 26 Ca 0.33 0.19 0.03 0.00 1.01 0.00 0.00 57.45 59.01 1x5t n PHE 26 Cb 1.31 -1.10 0.08 0.00 -0.01 0.00 0.00 39.48 39.75 1x5t n PHE 26 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1x5t n SER 27 N -3.55 -0.32 -0.34 4.37 3.41 0.11 0.91 113.62 118.22 1x5t n SER 27 Ca -0.37 1.22 0.04 0.00 -0.26 0.00 0.00 58.87 59.49 1x5t n SER 27 Cb 0.99 -0.34 0.11 0.00 -0.26 0.00 0.00 64.21 64.71 1x5t n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5t n ALA 28 N -3.70 0.15 0.08 7.33 0.00 -1.10 -1.78 120.51 121.49 1x5t n ALA 28 Ca 0.10 0.99 -0.03 0.00 0.00 0.00 0.00 53.44 54.50 1x5t n ALA 28 Cb 0.33 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 1x5t n ALA 28 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1x5t h PHE 29 N 0.00 -0.20 -4.68 0.00 0.04 0.26 -3.48 116.94 108.88 1x5t h PHE 29 Ca 0.42 -0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.80 1x5t h PHE 29 Cb 0.65 0.07 -0.14 0.00 2.20 0.00 0.00 35.95 38.73 1x5t h PHE 29 CO -0.73 -0.13 -0.54 0.20 -0.60 0.00 0.00 178.31 176.51 1x5t s GLY 30 N -1.43 1.99 -0.01 -1.45 0.00 -0.73 -4.95 107.32 100.74 1x5t s GLY 30 Ca -0.03 -1.90 -0.27 0.00 0.00 0.00 0.00 44.72 42.52 1x5t s GLY 30 CO 0.10 -1.46 0.84 0.14 0.00 0.00 0.00 173.10 172.72 1x5t s VAL 31 N -3.72 4.89 0.32 1.40 1.01 -1.26 -3.89 120.40 119.15 1x5t s VAL 31 Ca 0.39 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 63.94 1x5t s VAL 31 Cb 0.04 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1x5t s VAL 31 CO 0.21 0.24 0.84 -0.63 0.00 0.00 0.00 175.10 175.76 1x5t s ILE 32 N 0.70 4.45 -0.08 2.22 1.01 -1.26 -1.27 121.20 126.96 1x5t s ILE 32 Ca 0.44 1.41 -0.27 0.00 0.00 0.00 0.00 60.65 62.24 1x5t s ILE 32 Cb -0.20 -3.78 -0.24 0.00 0.01 0.00 0.00 42.46 38.25 1x5t s ILE 32 CO 0.24 -0.03 0.98 -0.07 0.00 0.00 0.00 174.94 176.06 1x5t h LEU 33 N 2.72 0.08 -7.75 2.97 3.38 -1.55 -3.43 115.31 111.73 1x5t h LEU 33 Ca -0.48 -0.80 0.01 0.00 0.09 0.00 0.00 57.88 56.71 1x5t h LEU 33 Cb 1.19 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 1x5t h LEU 33 CO 0.64 0.87 0.13 -1.10 0.09 0.00 0.00 178.44 179.07 1x5t s GLN 34 N -3.04 1.55 0.05 1.13 -0.21 -1.26 -5.05 119.66 112.84 1x5t s GLN 34 Ca -0.17 -0.89 -0.37 0.00 0.02 0.00 0.00 55.36 53.95 1x5t s GLN 34 Cb -0.01 0.56 -0.19 0.00 1.00 0.00 0.00 33.01 34.38 1x5t s GLN 34 CO 0.70 -0.68 0.93 2.41 -2.12 0.00 0.00 175.29 176.53 1x5t n THR 35 N -0.40 0.51 -2.26 -0.19 -1.04 -1.26 -4.73 114.28 104.91 1x5t n THR 35 Ca -0.08 -0.13 -0.39 0.00 -2.04 0.00 0.00 64.05 61.41 1x5t n THR 35 Cb 0.61 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.10 1x5t n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1x5t s PRO 36 N -0.26 4.24 -0.14 -2.82 0.04 -1.26 -4.95 135.00 129.85 1x5t s PRO 36 Ca 0.84 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 63.69 1x5t s PRO 36 Cb -1.18 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1x5t s PRO 36 CO 0.57 -0.20 0.37 0.15 0.04 0.00 0.00 177.00 177.93 1x5t s LYS 37 N -1.99 4.29 -0.15 4.56 1.02 -0.28 -4.85 119.74 122.34 1x5t s LYS 37 Ca 0.52 0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1x5t s LYS 37 Cb -0.34 -3.43 0.01 0.00 -0.52 0.00 0.00 37.83 33.55 1x5t s LYS 37 CO 0.44 0.21 -0.21 0.42 -0.92 0.00 0.00 175.35 175.29 1x5t s ILE 38 N 0.51 2.10 0.05 2.17 1.01 -1.26 -0.30 121.20 125.47 1x5t s ILE 38 Ca 0.21 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 1x5t s ILE 38 Cb -0.14 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 1x5t s ILE 38 CO 0.07 0.55 1.14 -0.04 0.00 0.00 0.00 174.94 176.65 1x5t s MET 39 N 0.93 4.47 0.03 2.79 -1.94 -1.16 -4.99 119.30 119.43 1x5t s MET 39 Ca -0.04 1.68 0.01 0.00 -1.71 0.00 0.00 55.69 55.62 1x5t s MET 39 Cb -0.15 -3.38 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 1x5t s MET 39 CO -0.04 -0.20 -0.05 1.03 -0.01 0.00 0.00 175.02 175.74 1x5t s ARG 40 N 1.04 0.41 -0.16 2.03 0.52 -1.26 -0.26 118.95 121.28 1x5t s ARG 40 Ca 0.57 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.79 1x5t s ARG 40 Cb -0.27 -0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.13 1x5t s ARG 40 CO 0.29 -0.01 1.18 0.34 0.02 0.00 0.00 175.30 177.12 1x5t s ASP 41 N -1.56 7.02 0.00 0.23 -1.08 -1.08 -4.87 116.67 115.33 1x5t s ASP 41 Ca -0.13 1.63 0.14 0.00 -0.52 0.00 0.00 52.55 53.68 1x5t s ASP 41 Cb -0.09 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.43 1x5t s ASP 41 CO -0.01 -0.68 1.45 -0.81 0.52 0.00 0.00 175.17 175.64 1x5t n PRO 42 N 6.16 0.01 0.06 4.34 -0.04 -1.26 0.71 135.00 144.97 1x5t n PRO 42 Ca 0.13 0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.63 1x5t n PRO 42 Cb 0.46 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x5t h ASP 43 N 0.00 0.82 0.00 3.54 5.19 -2.00 -3.43 116.42 120.54 1x5t h ASP 43 Ca 0.00 -0.80 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 1x5t h ASP 43 Cb 0.24 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1x5t h ASP 43 CO 0.00 1.52 -0.74 0.35 -3.12 0.00 0.00 179.24 177.25 1x5t n THR 44 N -3.90 0.00 0.00 0.35 -2.24 -1.12 -5.08 114.28 102.30 1x5t n THR 44 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1x5t n THR 44 Cb 0.90 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1x5t n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5t n GLY 45 N 2.65 1.39 3.54 3.38 0.00 0.22 -5.03 105.19 111.34 1x5t n GLY 45 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x5t n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5t s ASN 46 N -2.00 5.24 -0.34 1.61 2.47 -1.25 -4.81 114.94 115.85 1x5t s ASN 46 Ca 0.00 -0.06 -0.41 0.00 0.42 0.00 0.00 52.86 52.82 1x5t s ASN 46 Cb 0.00 -1.89 -0.16 0.00 -1.45 0.00 0.00 41.25 37.75 1x5t s ASN 46 CO 0.00 0.12 1.84 -0.24 -3.72 0.00 0.00 177.10 175.11 1x5t n SER 47 N 3.86 2.03 -0.33 -4.21 2.88 -1.26 -2.64 113.62 113.95 1x5t n SER 47 Ca -0.17 0.94 0.12 0.00 -1.33 0.00 0.00 58.87 58.43 1x5t n SER 47 Cb 0.52 -1.10 0.30 0.00 -0.75 0.00 0.00 64.21 63.18 1x5t n SER 47 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x5t h LYS 48 N 7.98 0.63 0.00 -1.46 1.79 -0.96 -3.46 116.57 121.09 1x5t h LYS 48 Ca -0.39 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1x5t h LYS 48 Cb 1.34 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1x5t h LYS 48 CO 0.99 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 180.18 1x5t n GLY 49 N -1.33 1.41 3.28 3.86 0.00 -1.26 -5.01 105.19 106.14 1x5t n GLY 49 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1x5t n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5t s TYR 50 N -0.91 2.18 0.14 1.61 1.13 -1.26 -0.17 117.35 120.06 1x5t s TYR 50 Ca 0.00 -0.43 0.04 0.00 -1.41 0.00 0.00 57.07 55.27 1x5t s TYR 50 Cb 0.00 -1.41 -0.04 0.00 -1.10 0.00 0.00 41.96 39.41 1x5t s TYR 50 CO 0.00 -0.05 -0.10 0.00 -2.51 0.00 0.00 175.55 172.89 1x5t s ALA 51 N -0.54 1.39 -0.14 9.51 0.00 0.10 -3.01 121.76 129.08 1x5t s ALA 51 Ca 0.08 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1x5t s ALA 51 Cb -0.10 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1x5t s ALA 51 CO -0.01 -0.09 -0.17 -0.06 0.00 0.00 0.00 175.76 175.44 1x5t s PHE 52 N -3.20 2.74 -0.01 0.00 0.40 0.59 -1.34 117.98 117.15 1x5t s PHE 52 Ca 0.15 -0.95 0.03 0.00 -0.60 0.00 0.00 56.93 55.56 1x5t s PHE 52 Cb 0.02 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 1x5t s PHE 52 CO 0.00 -0.40 -0.11 0.42 0.70 0.00 0.00 175.22 175.83 1x5t s ILE 53 N 0.60 0.90 -0.07 0.64 1.01 -0.93 -1.12 121.20 122.23 1x5t s ILE 53 Ca -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1x5t s ILE 53 Cb -0.16 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1x5t s ILE 53 CO 0.03 0.26 -0.13 0.21 0.00 0.00 0.00 174.94 175.31 1x5t s ASN 54 N -0.15 4.10 0.29 3.58 2.47 -1.26 -0.24 114.94 123.73 1x5t s ASN 54 Ca 0.02 -0.21 0.07 0.00 0.42 0.00 0.00 52.86 53.16 1x5t s ASN 54 Cb -0.06 -1.10 -0.03 0.00 -1.45 0.00 0.00 41.25 38.62 1x5t s ASN 54 CO -0.00 0.30 0.30 -0.36 -3.72 0.00 0.00 177.10 173.62 1x5t s PHE 55 N -0.43 3.09 0.10 0.43 0.40 -1.26 -1.62 117.98 118.69 1x5t s PHE 55 Ca 0.05 -0.18 -0.19 0.00 -0.60 0.00 0.00 56.93 56.01 1x5t s PHE 55 Cb -0.12 -1.66 -0.07 0.00 0.51 0.00 0.00 43.02 41.67 1x5t s PHE 55 CO 0.02 0.30 1.62 0.00 0.70 0.00 0.00 175.22 177.86 1x5t h ALA 56 N 1.26 0.31 -2.27 5.36 0.00 -1.47 -3.34 119.26 119.11 1x5t h ALA 56 Ca -0.47 -0.13 -0.37 0.00 0.00 0.00 0.00 54.91 53.94 1x5t h ALA 56 Cb 1.25 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1x5t h ALA 56 CO 0.59 -0.07 -0.62 0.45 0.00 0.00 0.00 179.25 179.60 1x5t s SER 57 N -5.70 1.43 0.12 0.00 0.15 -1.25 -1.81 113.70 106.64 1x5t s SER 57 Ca -0.14 -1.36 -0.15 0.00 0.70 0.00 0.00 55.95 55.00 1x5t s SER 57 Cb 0.08 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1x5t s SER 57 CO 0.72 -0.69 1.60 -0.26 1.20 0.00 0.00 173.24 175.81 1x5t h PHE 58 N 2.36 0.70 -0.78 3.44 -1.00 -1.75 -3.03 116.94 116.88 1x5t h PHE 58 Ca -0.39 -0.10 0.18 0.00 2.81 0.00 0.00 57.97 60.48 1x5t h PHE 58 Cb 1.24 -0.19 -0.13 0.00 3.61 0.00 0.00 35.95 40.48 1x5t h PHE 58 CO 0.49 0.70 0.06 -0.44 -1.61 0.00 0.00 178.31 177.51 1x5t h ASP 59 N 0.50 -0.25 -0.16 2.17 5.19 -1.97 0.14 116.42 122.04 1x5t h ASP 59 Ca 0.12 0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.75 1x5t h ASP 59 Cb 0.38 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 40.18 1x5t h ASP 59 CO 0.01 -0.16 -0.05 0.00 -3.12 0.00 0.00 179.24 175.92 1x5t h ALA 60 N 1.72 0.10 -0.71 3.45 0.00 -1.90 -2.29 119.26 119.63 1x5t h ALA 60 Ca 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1x5t h ALA 60 Cb 0.80 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1x5t h ALA 60 CO -0.65 -0.49 0.41 0.66 0.00 0.00 0.00 179.25 179.18 1x5t h SER 61 N -0.01 0.87 -0.58 0.00 4.64 -0.97 -2.71 113.55 114.79 1x5t h SER 61 Ca 0.08 -0.08 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1x5t h SER 61 Cb 0.13 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 61.92 1x5t h SER 61 CO -0.17 0.69 0.13 -0.78 -0.87 0.00 0.00 176.83 175.84 1x5t h ASP 62 N 0.97 0.03 -0.30 4.97 1.82 -0.37 -0.05 116.42 123.50 1x5t h ASP 62 Ca 0.25 0.10 0.06 0.00 -0.39 0.00 0.00 57.03 57.06 1x5t h ASP 62 Cb -0.00 0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.08 1x5t h ASP 62 CO -0.04 0.03 -0.10 0.00 -1.61 0.00 0.00 179.24 177.51 1x5t h ALA 63 N 1.45 0.16 0.83 -0.78 0.00 -1.09 -1.98 119.26 117.84 1x5t h ALA 63 Ca 0.30 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1x5t h ALA 63 Cb 0.43 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1x5t h ALA 63 CO -0.38 -0.49 -0.40 0.00 0.00 0.00 0.00 179.25 177.98 1x5t h ALA 64 N 1.23 -1.16 -1.15 0.00 0.00 -1.28 -0.32 119.26 116.58 1x5t h ALA 64 Ca 0.15 -0.24 0.33 0.00 0.00 0.00 0.00 54.91 55.15 1x5t h ALA 64 Cb 0.27 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1x5t h ALA 64 CO -0.33 -1.08 1.12 0.82 0.00 0.00 0.00 179.25 179.78 1x5t h ILE 65 N -1.24 0.09 0.00 0.00 2.04 -0.92 1.47 117.51 118.96 1x5t h ILE 65 Ca -0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1x5t h ILE 65 Cb 0.85 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1x5t h ILE 65 CO 0.19 0.00 -0.44 -0.08 0.00 0.00 0.00 178.15 177.81 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.81 -0.99 -3.32 114.58 117.45 1x5t h GLU 66 Ca 0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 1x5t h GLU 66 Cb 2.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.16 1x5t h GLU 66 CO -0.01 0.28 -0.25 0.00 -0.73 0.00 0.00 179.01 178.31 1x5t h ALA 67 N -0.80 0.00 -1.21 2.92 0.00 0.86 -3.35 119.26 117.67 1x5t h ALA 67 Ca -0.06 -0.25 0.35 0.00 0.00 0.00 0.00 54.91 54.94 1x5t h ALA 67 Cb 0.56 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1x5t h ALA 67 CO -0.04 0.25 0.84 0.52 0.00 0.00 0.00 179.25 180.82 1x5t h MET 68 N -0.98 0.12 -5.19 0.00 2.86 0.18 -3.24 114.93 108.69 1x5t h MET 68 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1x5t h MET 68 Cb 0.25 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1x5t h MET 68 CO 0.00 0.08 0.05 1.21 1.06 0.00 0.00 176.91 179.31 1x5t s ASN 69 N -5.03 3.56 0.00 1.22 2.47 -0.53 -0.88 114.94 115.75 1x5t s ASN 69 Ca -0.06 -0.66 0.00 0.00 0.42 0.00 0.00 52.86 52.56 1x5t s ASN 69 Cb 0.25 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1x5t s ASN 69 CO 0.81 -4.51 0.00 0.61 -3.72 0.00 0.00 177.10 170.29 1x5t n GLY 70 N 6.36 2.27 3.58 1.21 0.00 -0.70 -4.88 105.19 113.02 1x5t n GLY 70 Ca 0.43 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.81 1x5t n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5t n GLN 71 N -0.09 0.00 -2.06 1.61 1.13 -0.05 -4.41 117.38 113.51 1x5t n GLN 71 Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 1x5t n GLN 71 Cb 0.00 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 28.87 1x5t n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1x5t s TYR 72 N 2.31 1.71 0.71 1.08 5.04 -1.26 -2.68 117.35 124.26 1x5t s TYR 72 Ca 0.99 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 56.33 1x5t s TYR 72 Cb -1.40 -4.11 0.10 0.00 0.35 0.00 0.00 41.96 36.89 1x5t s TYR 72 CO 0.74 -2.35 0.99 -1.17 -1.34 0.00 0.00 175.55 172.42 1x5t s LEU 73 N 8.70 2.97 -0.63 6.97 2.96 -0.50 -4.83 118.68 134.31 1x5t s LEU 73 Ca 0.68 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 54.53 1x5t s LEU 73 Cb -0.13 -2.53 -0.20 0.00 0.50 0.00 0.00 46.19 43.82 1x5t s LEU 73 CO 0.22 -1.73 1.41 0.00 -1.32 0.00 0.00 176.35 174.93 1x5t n ASN 75 N 3.90 0.38 -3.15 0.00 4.13 -1.26 -4.58 115.26 114.68 1x5t n ASN 75 Ca 0.43 -1.26 0.05 0.00 1.68 0.00 0.00 54.58 55.48 1x5t n ASN 75 Cb 0.08 -1.68 -0.01 0.00 -1.54 0.00 0.00 39.78 36.62 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x5t s ARG 76 N -7.32 0.28 -0.56 3.52 0.52 0.17 -4.92 118.95 110.64 1x5t s ARG 76 Ca 0.15 0.48 -0.27 0.00 -0.52 0.00 0.00 55.73 55.57 1x5t s ARG 76 Cb -0.09 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.63 1x5t s ARG 76 CO 1.00 -0.32 1.83 -1.25 0.02 0.00 0.00 175.30 176.58 1x5t s PRO 77 N 2.93 2.78 0.72 3.54 0.04 -1.26 -1.40 135.00 142.34 1x5t s PRO 77 Ca 0.06 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 1x5t s PRO 77 Cb -0.11 -4.34 0.02 0.00 0.04 0.00 0.00 34.50 30.11 1x5t s PRO 77 CO -0.14 -2.54 1.07 0.96 0.04 0.00 0.00 177.00 176.39 1x5t s ILE 78 N 8.57 3.75 -0.13 0.56 -4.36 -1.09 -4.73 121.20 123.78 1x5t s ILE 78 Ca 0.69 0.58 -0.04 0.00 -0.26 0.00 0.00 60.65 61.62 1x5t s ILE 78 Cb -0.14 -3.22 0.05 0.00 1.25 0.00 0.00 42.46 40.40 1x5t s ILE 78 CO 0.23 -0.73 0.09 0.42 0.24 0.00 0.00 174.94 175.19 1x5t s THR 79 N -2.97 -0.11 -0.05 8.37 -4.23 -0.92 -1.72 115.64 114.00 1x5t s THR 79 Ca 0.59 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 61.06 1x5t s THR 79 Cb -0.15 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 1x5t s THR 79 CO 0.55 -0.12 0.24 -0.69 -0.54 0.00 0.00 174.62 174.06 1x5t s VAL 80 N 2.16 5.33 -0.28 2.29 1.01 -1.26 -2.55 120.40 127.11 1x5t s VAL 80 Ca 0.03 0.33 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1x5t s VAL 80 Cb -0.15 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.81 1x5t s VAL 80 CO -0.07 0.52 0.83 -0.44 0.00 0.00 0.00 175.10 175.94 1x5t s SER 81 N -1.27 -0.72 -0.35 3.32 0.01 -0.78 -4.71 113.70 109.20 1x5t s SER 81 Ca 0.21 1.20 -0.44 0.00 1.31 0.00 0.00 55.95 58.23 1x5t s SER 81 Cb -0.13 1.28 -0.19 0.00 0.21 0.00 0.00 66.02 67.19 1x5t s SER 81 CO 0.10 -0.19 1.56 -1.22 0.41 0.00 0.00 173.24 173.90 1x5t n TYR 82 N 3.68 1.69 -0.27 2.43 4.01 -1.26 -1.87 117.16 125.57 1x5t n TYR 82 Ca -0.18 0.95 -0.01 0.00 -0.16 0.00 0.00 57.90 58.50 1x5t n TYR 82 Cb 0.58 -2.28 0.05 0.00 -0.31 0.00 0.00 39.34 37.38 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t h ALA 83 N 5.32 0.23 -3.86 -0.72 0.00 -1.87 -3.39 119.26 114.97 1x5t h ALA 83 Ca -0.46 0.25 -0.69 0.00 0.00 0.00 0.00 54.91 54.01 1x5t h ALA 83 Cb 1.36 0.76 -0.32 0.00 0.00 0.00 0.00 17.79 19.59 1x5t h ALA 83 CO 0.93 -0.56 -0.88 0.12 0.00 0.00 0.00 179.25 178.86 1x5t s PHE 84 N -6.09 2.48 -0.48 0.00 5.36 -1.26 -4.97 117.98 113.01 1x5t s PHE 84 Ca -0.14 -0.78 -0.45 0.00 -0.96 0.00 0.00 56.93 54.59 1x5t s PHE 84 Cb 0.20 -1.63 -0.19 0.00 -0.34 0.00 0.00 43.02 41.06 1x5t s PHE 84 CO 0.72 -0.25 1.58 0.36 -1.46 0.00 0.00 175.22 176.17 1x5t n LYS 85 N 3.07 0.00 -5.03 10.12 2.85 -1.26 -4.92 118.16 122.99 1x5t n LYS 85 Ca -0.18 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.76 1x5t n LYS 85 Cb 0.52 -1.45 -0.14 0.00 -0.65 0.00 0.00 35.03 33.31 1x5t n LYS 85 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1x5t s LYS 86 N 3.12 2.50 0.13 -1.58 2.47 -1.26 -5.12 119.74 120.00 1x5t s LYS 86 Ca 1.02 -0.78 -0.24 0.00 -1.56 0.00 0.00 55.97 54.41 1x5t s LYS 86 Cb -1.45 -2.30 0.08 0.00 -1.46 0.00 0.00 37.83 32.70 1x5t s LYS 86 CO 0.78 0.54 0.67 -0.51 0.16 0.00 0.00 175.35 176.99 1x5t s ASP 87 N -0.52 -0.51 0.10 1.43 1.01 -1.26 -5.09 116.67 111.82 1x5t s ASP 87 Ca 0.07 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1x5t s ASP 87 Cb -0.11 0.55 0.00 0.00 1.01 0.00 0.00 42.92 44.37 1x5t s ASP 87 CO 0.01 -0.90 0.00 -0.24 0.21 0.00 0.00 175.17 174.25 1x5t n SER 88 N -0.35 0.42 -4.26 0.27 2.88 -1.26 -5.10 113.62 106.23 1x5t n SER 88 Ca -0.15 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.30 1x5t n SER 88 Cb 0.64 -0.05 -0.14 0.00 -0.75 0.00 0.00 64.21 63.91 1x5t n SER 88 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x5t s LYS 89 N -2.00 1.39 0.00 -1.46 1.02 -1.26 -5.15 119.74 112.28 1x5t s LYS 89 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.02 1x5t s LYS 89 Cb 0.00 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1x5t s LYS 89 CO 0.00 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1x5t n GLY 90 N 1.78 5.47 3.36 -3.33 0.00 -1.26 -5.16 105.19 106.06 1x5t n GLY 90 Ca -0.17 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 1x5t n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5t s SER 91 N 0.51 2.99 0.00 1.61 0.15 -1.26 -5.08 113.70 112.63 1x5t s SER 91 Ca 0.00 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1x5t s SER 91 Cb 0.00 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1x5t s SER 91 CO 0.00 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1x5t n GLY 92 N 0.45 -0.99 3.67 9.45 0.00 -1.26 -5.17 105.19 111.33 1x5t n GLY 92 Ca -0.14 0.59 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 1x5t n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5t s PRO 93 N 0.00 0.29 0.17 1.61 0.04 -1.26 -5.09 135.00 130.77 1x5t s PRO 93 Ca 0.00 0.48 -0.09 0.00 0.04 0.00 0.00 61.00 61.43 1x5t s PRO 93 Cb 0.00 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1x5t s PRO 93 CO 0.00 -2.82 0.29 -1.12 0.04 0.00 0.00 177.00 173.39 1x5t s SER 94 N -3.45 0.04 0.19 6.66 0.01 -1.26 -5.18 113.70 110.71 1x5t s SER 94 Ca 0.66 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 1x5t s SER 94 Cb -0.19 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 1x5t s SER 94 CO 0.58 -0.90 0.20 -0.44 0.41 0.00 0.00 173.24 173.08 1x5t s SER 95 N -2.98 0.12 0.00 2.44 0.01 -1.26 -5.38 113.70 106.65 1x5t s SER 95 Ca 0.18 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1x5t s SER 95 Cb 0.03 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1x5t s SER 95 CO 0.01 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.39