#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 1.91 0.06 1.61 3.41 -1.26 -5.00 113.62 114.36 1x5t n SER 2 Ca 0.00 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1x5t n SER 2 Cb 0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1x5t n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5t n SER 3 N -4.39 0.42 0.00 4.04 2.88 -1.26 -5.04 113.62 110.26 1x5t n SER 3 Ca -0.21 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1x5t n SER 3 Cb 0.58 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1x5t n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5t n GLY 4 N 2.69 -0.97 1.63 0.46 0.00 -1.26 -4.93 105.19 102.82 1x5t n GLY 4 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.39 1x5t n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5t n SER 5 N 0.00 1.56 -1.04 1.61 3.41 -1.26 -4.81 113.62 113.09 1x5t n SER 5 Ca 0.00 -2.52 -0.03 0.00 -0.26 0.00 0.00 58.87 56.06 1x5t n SER 5 Cb 0.00 -0.39 0.16 0.00 -0.26 0.00 0.00 64.21 63.73 1x5t n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5t n SER 6 N -0.14 2.66 -3.50 4.04 7.64 -1.26 -4.73 113.62 118.33 1x5t n SER 6 Ca 0.12 -3.86 -0.23 0.00 1.01 0.00 0.00 58.87 55.91 1x5t n SER 6 Cb 0.97 -0.51 0.16 0.00 -1.01 0.00 0.00 64.21 63.83 1x5t n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5t n GLY 7 N -1.02 -1.44 3.11 0.23 0.00 -1.26 -4.73 105.19 100.08 1x5t n GLY 7 Ca 0.28 -1.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.29 1.19 -0.15 -0.61 -4.36 -0.25 -3.58 121.20 110.16 1x5t s ILE 8 Ca 0.59 -0.63 -0.08 0.00 -0.26 0.00 0.00 60.65 60.28 1x5t s ILE 8 Cb -0.02 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 1x5t s ILE 8 CO 0.42 0.34 0.12 0.12 0.24 0.00 0.00 174.94 176.18 1x5t s PHE 9 N -0.21 3.47 0.09 1.37 5.36 -0.74 -2.22 117.98 125.09 1x5t s PHE 9 Ca 0.03 0.39 0.07 0.00 -0.96 0.00 0.00 56.93 56.46 1x5t s PHE 9 Cb -0.07 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 1x5t s PHE 9 CO 0.00 0.49 -0.19 0.42 -1.46 0.00 0.00 175.22 174.48 1x5t s ILE 10 N -0.35 1.57 0.06 3.12 1.01 -0.44 -2.20 121.20 123.98 1x5t s ILE 10 Ca 0.11 -1.46 -0.10 0.00 0.00 0.00 0.00 60.65 59.20 1x5t s ILE 10 Cb -0.12 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.92 1x5t s ILE 10 CO 0.01 -0.07 0.22 -0.83 0.00 0.00 0.00 174.94 174.26 1x5t s GLY 11 N -1.80 0.02 -0.29 6.18 0.00 -1.22 -1.50 107.32 108.72 1x5t s GLY 11 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.40 1x5t s GLY 11 CO 0.04 -0.54 0.24 -2.01 0.00 0.00 0.00 173.10 170.83 1x5t n ASN 12 N 0.37 -2.54 -4.55 1.64 5.15 -1.15 -3.00 115.26 111.18 1x5t n ASN 12 Ca -0.17 -0.17 -0.35 0.00 -0.60 0.00 0.00 54.58 53.29 1x5t n ASN 12 Cb 0.60 -1.68 -0.11 0.00 -0.53 0.00 0.00 39.78 38.07 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 -3.33 3.60 0.29 1.20 1.43 -0.06 -4.10 118.68 117.71 1x5t s LEU 13 Ca 0.05 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.82 1x5t s LEU 13 Cb -0.01 -1.93 -0.14 0.00 0.03 0.00 0.00 46.19 44.15 1x5t s LEU 13 CO 0.19 0.09 0.98 -0.67 0.23 0.00 0.00 176.35 177.17 1x5t n ASP 14 N 4.06 1.14 0.00 2.29 2.03 -1.26 -4.62 116.55 120.19 1x5t n ASP 14 Ca -0.16 1.17 0.07 0.00 0.52 0.00 0.00 54.79 56.39 1x5t n ASP 14 Cb 0.52 -1.27 0.37 0.00 -0.72 0.00 0.00 41.12 40.02 1x5t n ASP 14 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5t n PRO 15 N 0.72 0.20 0.06 -0.67 -0.04 -1.26 -2.16 135.00 131.85 1x5t n PRO 15 Ca 0.10 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1x5t n PRO 15 Cb 0.32 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 1x5t n PRO 15 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x5t n GLU 16 N -1.29 0.62 -1.53 0.54 0.28 -1.26 -4.87 120.64 113.12 1x5t n GLU 16 Ca 0.07 0.14 -0.33 0.00 -0.16 0.00 0.00 57.16 56.88 1x5t n GLU 16 Cb 0.12 -1.79 0.08 0.00 1.43 0.00 0.00 31.44 31.28 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x5t s ILE 17 N -3.16 2.74 0.07 3.84 1.01 -0.92 -5.06 121.20 119.73 1x5t s ILE 17 Ca -0.02 0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.99 1x5t s ILE 17 Cb 0.09 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1x5t s ILE 17 CO 0.81 -0.21 -0.07 -1.81 0.00 0.00 0.00 174.94 173.66 1x5t s ASP 18 N -2.35 0.97 0.33 3.58 1.11 -1.26 -5.02 116.67 114.02 1x5t s ASP 18 Ca 0.70 -0.82 0.11 0.00 0.18 0.00 0.00 52.55 52.72 1x5t s ASP 18 Cb -0.25 0.08 1.02 0.00 1.07 0.00 0.00 42.92 44.85 1x5t s ASP 18 CO 0.45 -0.37 1.59 -0.33 1.18 0.00 0.00 175.17 177.69 1x5t h GLU 19 N 3.61 0.05 0.13 8.23 3.07 -1.97 -0.12 114.58 127.58 1x5t h GLU 19 Ca -0.35 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1x5t h GLU 19 Cb 1.18 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1x5t h GLU 19 CO 0.55 0.03 -0.34 -0.22 -1.40 0.00 0.00 179.01 177.63 1x5t h LYS 20 N 0.05 -0.50 -0.03 2.33 3.64 -1.98 -0.65 116.57 119.43 1x5t h LYS 20 Ca 0.71 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 60.14 1x5t h LYS 20 Cb 1.67 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.57 1x5t h LYS 20 CO -0.80 -0.34 -0.36 1.25 -2.27 0.00 0.00 179.45 176.93 1x5t h LEU 21 N -0.52 -1.12 -0.99 5.20 5.85 -1.45 -1.90 115.31 120.37 1x5t h LEU 21 Ca -0.01 0.13 0.19 0.00 0.84 0.00 0.00 57.88 59.03 1x5t h LEU 21 Cb 0.51 0.43 -0.18 0.00 0.37 0.00 0.00 40.66 41.78 1x5t h LEU 21 CO -0.16 -0.34 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.26 1x5t h LEU 22 N -0.43 -0.99 -0.58 2.25 3.38 -1.34 0.66 115.31 118.25 1x5t h LEU 22 Ca 0.01 0.30 0.12 0.00 0.09 0.00 0.00 57.88 58.40 1x5t h LEU 22 Cb 0.47 0.64 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1x5t h LEU 22 CO -0.26 -0.32 0.03 0.22 0.09 0.00 0.00 178.44 178.20 1x5t h TYR 23 N -0.00 0.02 0.38 1.13 5.03 -0.33 -0.82 116.97 122.38 1x5t h TYR 23 Ca 0.46 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.79 1x5t h TYR 23 Cb 0.71 0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.07 1x5t h TYR 23 CO -0.78 -0.12 -0.18 -0.44 -1.32 0.00 0.00 178.16 175.32 1x5t h ASP 24 N 0.15 -0.43 -0.90 -2.11 3.32 0.54 0.51 116.42 117.50 1x5t h ASP 24 Ca 0.30 0.01 0.36 0.00 0.02 0.00 0.00 57.03 57.73 1x5t h ASP 24 Cb 0.48 0.11 -0.16 0.00 0.22 0.00 0.00 39.33 39.97 1x5t h ASP 24 CO -0.47 -0.01 0.42 0.41 -1.72 0.00 0.00 179.24 177.87 1x5t n THR 25 N -5.01 -0.38 -0.05 0.35 -1.04 0.12 -0.36 114.28 107.92 1x5t n THR 25 Ca -0.06 1.86 -0.21 0.00 -2.04 0.00 0.00 64.05 63.59 1x5t n THR 25 Cb 0.20 -2.97 -0.13 0.00 -1.82 0.00 0.00 70.33 65.61 1x5t n THR 25 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1x5t h PHE 26 N 0.00 0.23 -0.75 -1.42 -1.00 -1.20 -3.37 116.94 109.43 1x5t h PHE 26 Ca 0.74 -0.16 0.31 0.00 2.81 0.00 0.00 57.97 61.66 1x5t h PHE 26 Cb 1.91 -0.01 -0.13 0.00 3.61 0.00 0.00 35.95 41.34 1x5t h PHE 26 CO -0.07 1.55 0.41 0.45 -1.61 0.00 0.00 178.31 179.05 1x5t n SER 27 N -4.09 0.24 -0.10 2.17 2.88 0.18 0.67 113.62 115.58 1x5t n SER 27 Ca -0.29 1.17 -0.10 0.00 -1.33 0.00 0.00 58.87 58.32 1x5t n SER 27 Cb 0.81 -0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 1x5t n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5t h ALA 28 N 1.41 -0.44 0.61 -1.46 0.00 -1.60 -2.59 119.26 115.19 1x5t h ALA 28 Ca 0.61 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 1x5t h ALA 28 Cb 1.66 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 20.29 1x5t h ALA 28 CO -0.53 -0.86 -0.36 0.74 0.00 0.00 0.00 179.25 178.24 1x5t h PHE 29 N -0.36 -0.94 -3.61 0.00 -1.00 -0.01 -3.47 116.94 107.56 1x5t h PHE 29 Ca 0.13 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 1x5t h PHE 29 Cb 0.59 0.33 -0.09 0.00 3.61 0.00 0.00 35.95 40.38 1x5t h PHE 29 CO -0.58 -0.55 -0.11 0.20 -1.61 0.00 0.00 178.31 175.66 1x5t s GLY 30 N -2.11 0.43 0.43 -1.45 0.00 -0.98 -4.97 107.32 98.68 1x5t s GLY 30 Ca -0.18 -0.78 -0.23 0.00 0.00 0.00 0.00 44.72 43.53 1x5t s GLY 30 CO 0.62 -0.58 1.08 0.14 0.00 0.00 0.00 173.10 174.36 1x5t s VAL 31 N -3.99 3.56 -0.13 1.40 1.01 -1.26 -3.82 120.40 117.17 1x5t s VAL 31 Ca 0.20 1.15 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 1x5t s VAL 31 Cb -0.01 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1x5t s VAL 31 CO 0.07 -0.04 0.28 -0.63 0.00 0.00 0.00 175.10 174.78 1x5t s ILE 32 N -1.68 5.29 0.02 2.22 1.01 -1.26 -1.68 121.20 125.11 1x5t s ILE 32 Ca 0.61 0.53 -0.25 0.00 0.00 0.00 0.00 60.65 61.54 1x5t s ILE 32 Cb -0.23 -3.60 -0.17 0.00 0.01 0.00 0.00 42.46 38.46 1x5t s ILE 32 CO 0.28 0.46 1.33 -0.07 0.00 0.00 0.00 174.94 176.94 1x5t h LEU 33 N 6.09 -0.24 -7.52 2.97 3.38 -1.47 -3.45 115.31 115.07 1x5t h LEU 33 Ca -0.45 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.17 1x5t h LEU 33 Cb 1.18 0.06 -0.22 0.00 0.09 0.00 0.00 40.66 41.77 1x5t h LEU 33 CO 0.71 0.09 -0.35 -1.10 0.09 0.00 0.00 178.44 177.88 1x5t s GLN 34 N -4.85 0.50 0.10 1.13 -1.52 -1.26 -5.02 119.66 108.73 1x5t s GLN 34 Ca -0.15 0.03 -0.21 0.00 -1.95 0.00 0.00 55.36 53.09 1x5t s GLN 34 Cb 0.03 0.22 -0.12 0.00 -0.22 0.00 0.00 33.01 32.92 1x5t s GLN 34 CO 0.59 -0.11 0.46 2.41 -0.25 0.00 0.00 175.29 178.39 1x5t n THR 35 N 2.02 0.97 -2.26 -0.19 -1.04 -1.26 -4.62 114.28 107.89 1x5t n THR 35 Ca -0.18 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.05 61.21 1x5t n THR 35 Cb 0.57 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.06 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 -0.48 3.97 -0.15 -2.82 0.04 -1.26 -4.95 135.00 129.35 1x5t s PRO 36 Ca 0.48 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 63.30 1x5t s PRO 36 Cb -0.69 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1x5t s PRO 36 CO 0.38 -0.39 0.15 0.15 0.04 0.00 0.00 177.00 177.33 1x5t s LYS 37 N -2.38 3.79 -0.22 4.56 -0.14 -0.82 -4.95 119.74 119.57 1x5t s LYS 37 Ca 0.59 -0.13 0.01 0.00 -1.36 0.00 0.00 55.97 55.08 1x5t s LYS 37 Cb -0.31 -3.29 0.05 0.00 -1.68 0.00 0.00 37.83 32.60 1x5t s LYS 37 CO 0.39 0.56 -0.08 0.42 -0.76 0.00 0.00 175.35 175.88 1x5t s ILE 38 N -0.42 1.67 0.28 2.17 1.01 -1.26 -1.79 121.20 122.86 1x5t s ILE 38 Ca 0.13 -1.20 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 1x5t s ILE 38 Cb -0.12 -1.84 -0.10 0.00 0.01 0.00 0.00 42.46 40.42 1x5t s ILE 38 CO 0.02 0.01 1.34 -0.04 0.00 0.00 0.00 174.94 176.28 1x5t s MET 39 N 1.35 4.34 0.21 2.79 -1.94 -1.25 -4.95 119.30 119.85 1x5t s MET 39 Ca -0.05 2.21 0.09 0.00 -1.71 0.00 0.00 55.69 56.23 1x5t s MET 39 Cb -0.18 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 1x5t s MET 39 CO -0.07 -0.26 -0.06 1.03 -0.01 0.00 0.00 175.02 175.66 1x5t s ARG 40 N -1.10 2.18 -0.05 2.03 0.52 -1.26 -2.14 118.95 119.13 1x5t s ARG 40 Ca 0.53 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 1x5t s ARG 40 Cb -0.40 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 1x5t s ARG 40 CO 0.48 0.41 1.02 0.34 0.02 0.00 0.00 175.30 177.57 1x5t s ASP 41 N -3.12 7.28 0.00 0.23 -1.08 -1.26 -4.81 116.67 113.90 1x5t s ASP 41 Ca 0.27 1.63 0.14 0.00 -0.52 0.00 0.00 52.55 54.08 1x5t s ASP 41 Cb -0.08 -2.56 0.84 0.00 -1.46 0.00 0.00 42.92 39.66 1x5t s ASP 41 CO 0.17 -0.38 1.26 -0.81 0.52 0.00 0.00 175.17 175.93 1x5t n PRO 42 N 4.50 0.49 -0.13 4.34 -0.04 -1.26 -0.51 135.00 142.39 1x5t n PRO 42 Ca 0.08 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 1x5t n PRO 42 Cb 0.49 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x5t n ASP 43 N -0.95 1.93 -0.06 3.54 8.00 -1.26 -4.86 116.55 122.89 1x5t n ASP 43 Ca 0.11 0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.85 1x5t n ASP 43 Cb 0.05 -0.86 -0.04 0.00 -0.02 0.00 0.00 41.12 40.25 1x5t n ASP 43 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1x5t n THR 44 N -4.32 0.80 -0.98 -3.53 -2.24 -1.17 -5.10 114.28 97.74 1x5t n THR 44 Ca -0.46 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1x5t n THR 44 Cb 0.80 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 2.22 0.23 1.75 3.38 0.00 0.33 -4.99 105.19 108.10 1x5t n GLY 45 Ca -0.24 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1x5t n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5t n ASN 46 N -0.71 0.11 -3.15 1.61 4.13 -1.26 -4.92 115.26 111.07 1x5t n ASN 46 Ca 0.00 0.29 0.05 0.00 1.68 0.00 0.00 54.58 56.60 1x5t n ASN 46 Cb 0.33 0.16 -0.01 0.00 -1.54 0.00 0.00 39.78 38.72 1x5t n ASN 46 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1x5t s SER 47 N -4.96 -0.56 0.10 6.41 1.04 -1.26 -4.94 113.70 109.53 1x5t s SER 47 Ca 0.00 0.21 -0.32 0.00 0.48 0.00 0.00 55.95 56.32 1x5t s SER 47 Cb 0.00 1.41 -0.13 0.00 0.10 0.00 0.00 66.02 67.40 1x5t s SER 47 CO 0.00 -0.10 1.59 0.11 0.98 0.00 0.00 173.24 175.82 1x5t h LYS 48 N 7.71 -0.73 0.00 4.02 1.57 -1.75 -3.46 116.57 123.94 1x5t h LYS 48 Ca -0.11 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1x5t h LYS 48 Cb 1.17 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1x5t h LYS 48 CO -0.07 -0.48 0.00 0.41 -0.57 0.00 0.00 179.45 178.74 1x5t n GLY 49 N -1.48 3.93 3.92 3.86 0.00 -1.26 -5.00 105.19 109.15 1x5t n GLY 49 Ca -0.09 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 3.49 0.06 1.61 -0.85 -1.26 -0.88 117.35 119.52 1x5t s TYR 50 Ca 0.00 0.32 -0.08 0.00 -0.52 0.00 0.00 57.07 56.79 1x5t s TYR 50 Cb 0.00 -1.82 -0.00 0.00 0.38 0.00 0.00 41.96 40.51 1x5t s TYR 50 CO 0.00 0.49 0.17 0.00 -1.52 0.00 0.00 175.55 174.69 1x5t s ALA 51 N -1.68 -0.24 -0.08 9.51 0.00 -0.56 -3.79 121.76 124.92 1x5t s ALA 51 Ca 0.37 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1x5t s ALA 51 Cb -0.12 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1x5t s ALA 51 CO 0.28 -0.40 -0.16 -0.06 0.00 0.00 0.00 175.76 175.41 1x5t s PHE 52 N -3.04 2.68 0.01 0.00 0.08 -0.74 -1.32 117.98 115.65 1x5t s PHE 52 Ca -0.01 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.57 1x5t s PHE 52 Cb 0.01 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1x5t s PHE 52 CO -0.07 -0.07 -0.07 0.42 -0.10 0.00 0.00 175.22 175.34 1x5t s ILE 53 N -0.16 0.50 -0.15 0.64 1.01 -0.94 -1.95 121.20 120.14 1x5t s ILE 53 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1x5t s ILE 53 Cb -0.14 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1x5t s ILE 53 CO 0.03 0.01 -0.19 0.21 0.00 0.00 0.00 174.94 175.01 1x5t s ASN 54 N -0.49 3.36 0.48 3.58 3.84 -1.26 -1.09 114.94 123.36 1x5t s ASN 54 Ca -0.01 -0.54 -0.02 0.00 0.21 0.00 0.00 52.86 52.50 1x5t s ASN 54 Cb -0.04 -1.50 -0.01 0.00 -0.55 0.00 0.00 41.25 39.15 1x5t s ASN 54 CO -0.00 0.08 0.73 -0.36 -2.79 0.00 0.00 177.10 174.76 1x5t s PHE 55 N 0.83 3.30 0.12 0.43 0.08 -1.26 -1.42 117.98 120.06 1x5t s PHE 55 Ca -0.06 0.42 -0.29 0.00 0.12 0.00 0.00 56.93 57.12 1x5t s PHE 55 Cb -0.15 -2.38 -0.08 0.00 -0.57 0.00 0.00 43.02 39.84 1x5t s PHE 55 CO -0.01 -0.42 1.60 0.00 -0.10 0.00 0.00 175.22 176.29 1x5t h ALA 56 N 0.27 -0.61 -1.56 5.36 0.00 -1.64 -3.41 119.26 117.66 1x5t h ALA 56 Ca -0.46 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 1x5t h ALA 56 Cb 1.24 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 19.55 1x5t h ALA 56 CO 0.59 -0.92 -0.51 -1.12 0.00 0.00 0.00 179.25 177.30 1x5t s SER 57 N -4.78 2.89 0.19 0.00 0.01 -1.26 -4.97 113.70 105.79 1x5t s SER 57 Ca -0.16 -1.70 -0.09 0.00 1.31 0.00 0.00 55.95 55.32 1x5t s SER 57 Cb 0.08 0.54 0.11 0.00 0.21 0.00 0.00 66.02 66.96 1x5t s SER 57 CO 0.64 -0.95 1.70 -0.26 0.41 0.00 0.00 173.24 174.78 1x5t h PHE 58 N 1.74 1.18 -0.09 2.43 -1.00 -1.90 -3.14 116.94 116.17 1x5t h PHE 58 Ca -0.35 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.32 1x5t h PHE 58 Cb 1.28 -0.33 -0.06 0.00 3.61 0.00 0.00 35.95 40.44 1x5t h PHE 58 CO 1.58 0.97 -0.43 0.38 -1.61 0.00 0.00 178.31 179.20 1x5t h ASP 59 N 1.05 -1.33 -0.83 2.17 2.03 -1.99 -1.03 116.42 116.50 1x5t h ASP 59 Ca 0.21 0.17 0.19 0.00 -0.73 0.00 0.00 57.03 56.87 1x5t h ASP 59 Cb 0.40 0.53 -0.11 0.00 -0.83 0.00 0.00 39.33 39.32 1x5t h ASP 59 CO 0.01 -0.44 0.33 0.00 -1.03 0.00 0.00 179.24 178.11 1x5t h ALA 60 N 0.05 1.24 -0.94 4.15 0.00 -1.92 0.16 119.26 122.01 1x5t h ALA 60 Ca 0.07 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x5t h ALA 60 Cb 0.64 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1x5t h ALA 60 CO -0.38 -0.29 0.62 0.77 0.00 0.00 0.00 179.25 179.97 1x5t h SER 61 N 0.40 1.08 -0.26 0.00 0.02 -1.19 -2.61 113.55 110.99 1x5t h SER 61 Ca 0.49 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1x5t h SER 61 Cb 0.86 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1x5t h SER 61 CO -0.49 0.78 0.14 -0.78 -1.14 0.00 0.00 176.83 175.34 1x5t h ASP 62 N 1.27 0.33 -0.78 3.07 3.58 0.35 -2.68 116.42 121.57 1x5t h ASP 62 Ca 0.34 -0.09 0.17 0.00 0.42 0.00 0.00 57.03 57.87 1x5t h ASP 62 Cb -0.15 -0.08 -0.14 0.00 1.72 0.00 0.00 39.33 40.68 1x5t h ASP 62 CO -0.07 0.32 -0.11 0.00 -2.88 0.00 0.00 179.24 176.50 1x5t h ALA 63 N 1.02 0.65 0.77 -0.78 0.00 -1.00 -0.58 119.26 119.33 1x5t h ALA 63 Ca 0.09 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1x5t h ALA 63 Cb 0.07 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1x5t h ALA 63 CO -0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 179.25 178.44 1x5t h ALA 64 N 1.76 -1.04 0.00 0.00 0.00 -1.48 -1.35 119.26 117.15 1x5t h ALA 64 Ca 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x5t h ALA 64 Cb 0.66 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x5t h ALA 64 CO -0.75 -1.02 0.54 0.82 0.00 0.00 0.00 179.25 178.84 1x5t h ILE 65 N -1.15 0.00 0.00 0.00 2.04 -1.00 0.93 117.51 118.33 1x5t h ILE 65 Ca -0.11 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1x5t h ILE 65 Cb 0.81 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1x5t h ILE 65 CO 0.17 0.00 -0.61 -0.08 0.00 0.00 0.00 178.15 177.63 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.81 -0.61 -3.37 114.58 117.78 1x5t h GLU 66 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x5t h GLU 66 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1x5t h GLU 66 CO 0.00 0.65 -0.84 0.00 -0.73 0.00 0.00 179.01 178.09 1x5t n ALA 67 N -3.17 0.74 -0.34 2.92 0.00 -0.18 -4.50 120.51 115.98 1x5t n ALA 67 Ca -0.17 -0.72 0.25 0.00 0.00 0.00 0.00 53.44 52.80 1x5t n ALA 67 Cb 0.45 0.03 0.49 0.00 0.00 0.00 0.00 19.45 20.41 1x5t n ALA 67 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x5t h MET 68 N -0.89 0.30 -5.29 0.00 2.86 0.58 -3.24 114.93 109.26 1x5t h MET 68 Ca 0.00 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1x5t h MET 68 Cb 0.84 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1x5t h MET 68 CO 0.00 0.20 0.66 -1.71 1.06 0.00 0.00 176.91 177.12 1x5t n ASN 69 N -5.02 1.13 0.00 1.22 5.15 0.39 -0.20 115.26 117.94 1x5t n ASN 69 Ca 0.32 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 1x5t n ASN 69 Cb 1.01 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1x5t n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5t n GLY 70 N 6.45 1.80 2.36 8.20 0.00 -0.07 -4.88 105.19 119.05 1x5t n GLY 70 Ca 0.51 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.23 0.00 -2.60 1.61 1.13 0.72 -4.25 117.38 113.77 1x5t n GLN 71 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1x5t n GLN 71 Cb 0.00 -0.94 -0.02 0.00 0.11 0.00 0.00 30.24 29.39 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 -0.16 2.73 0.51 1.08 5.04 -1.26 -2.18 117.35 123.11 1x5t s TYR 72 Ca 0.58 0.58 0.07 0.00 -2.44 0.00 0.00 57.07 55.86 1x5t s TYR 72 Cb -0.81 -4.47 0.05 0.00 0.35 0.00 0.00 41.96 37.08 1x5t s TYR 72 CO 0.39 -1.40 0.70 -1.17 -1.34 0.00 0.00 175.55 172.72 1x5t s LEU 73 N 4.66 3.37 -0.38 6.97 2.96 -0.59 -4.88 118.68 130.79 1x5t s LEU 73 Ca 0.46 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1x5t s LEU 73 Cb -0.07 -2.26 -0.12 0.00 0.50 0.00 0.00 46.19 44.23 1x5t s LEU 73 CO 0.29 -1.09 0.87 0.00 -1.32 0.00 0.00 176.35 175.10 1x5t n ASN 75 N 2.50 0.54 -3.19 0.00 6.94 -1.26 -4.54 115.26 116.26 1x5t n ASN 75 Ca 0.26 -1.01 0.05 0.00 -0.02 0.00 0.00 54.58 53.85 1x5t n ASN 75 Cb 0.04 -1.26 -0.02 0.00 -2.36 0.00 0.00 39.78 36.19 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1x5t s ARG 76 N -6.50 0.22 -0.26 -3.83 0.52 0.25 -4.93 118.95 104.41 1x5t s ARG 76 Ca 0.02 0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 55.36 1x5t s ARG 76 Cb -0.01 0.24 -0.02 0.00 0.52 0.00 0.00 34.95 35.67 1x5t s ARG 76 CO 0.79 -0.20 1.64 -1.25 0.02 0.00 0.00 175.30 176.30 1x5t s PRO 77 N 2.82 3.68 0.45 3.54 0.04 -1.26 -1.54 135.00 142.73 1x5t s PRO 77 Ca -0.00 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1x5t s PRO 77 Cb -0.09 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1x5t s PRO 77 CO -0.13 -1.43 0.76 0.96 0.04 0.00 0.00 177.00 177.20 1x5t s ILE 78 N 5.57 4.90 0.04 0.56 -4.36 -0.93 -4.67 121.20 122.31 1x5t s ILE 78 Ca 0.72 0.25 0.03 0.00 -0.26 0.00 0.00 60.65 61.39 1x5t s ILE 78 Cb -0.23 -3.83 -0.02 0.00 1.25 0.00 0.00 42.46 39.62 1x5t s ILE 78 CO 0.30 -0.74 -0.09 0.28 0.24 0.00 0.00 174.94 174.93 1x5t s THR 79 N -2.61 0.67 -0.13 8.37 -1.32 -1.16 -0.89 115.64 118.56 1x5t s THR 79 Ca 0.48 -0.92 -0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1x5t s THR 79 Cb -0.10 -0.67 0.03 0.00 -1.51 0.00 0.00 72.50 70.25 1x5t s THR 79 CO 0.41 -0.20 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.85 1x5t s VAL 80 N -1.02 1.14 -0.13 5.08 1.01 -1.26 -3.37 120.40 121.85 1x5t s VAL 80 Ca -0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1x5t s VAL 80 Cb -0.08 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.17 1x5t s VAL 80 CO 0.01 0.33 0.31 -0.44 0.00 0.00 0.00 175.10 175.31 1x5t s SER 81 N 1.65 -0.36 0.16 3.32 0.01 -0.93 -4.62 113.70 112.93 1x5t s SER 81 Ca 0.04 0.66 -0.32 0.00 1.31 0.00 0.00 55.95 57.64 1x5t s SER 81 Cb -0.13 0.58 -0.17 0.00 0.21 0.00 0.00 66.02 66.51 1x5t s SER 81 CO -0.09 -0.16 0.88 -1.22 0.41 0.00 0.00 173.24 173.07 1x5t n TYR 82 N 3.83 0.48 0.13 2.43 4.01 -1.26 -1.80 117.16 124.99 1x5t n TYR 82 Ca -0.21 0.87 -0.14 0.00 -0.16 0.00 0.00 57.90 58.27 1x5t n TYR 82 Cb 0.55 -2.11 -0.08 0.00 -0.31 0.00 0.00 39.34 37.39 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 2.25 -0.31 -3.11 -0.72 0.00 -1.89 -3.38 119.26 112.09 1x5t h ALA 83 Ca -0.39 -0.13 -0.70 0.00 0.00 0.00 0.00 54.91 53.69 1x5t h ALA 83 Cb 1.40 0.12 -0.34 0.00 0.00 0.00 0.00 17.79 18.96 1x5t h ALA 83 CO 0.63 -0.58 -0.44 -0.06 0.00 0.00 0.00 179.25 178.79 1x5t s PHE 84 N -5.39 3.50 -0.50 0.00 0.40 -1.26 -5.02 117.98 109.69 1x5t s PHE 84 Ca -0.15 -2.52 -0.20 0.00 -0.60 0.00 0.00 56.93 53.47 1x5t s PHE 84 Cb 0.04 -3.24 0.05 0.00 0.51 0.00 0.00 43.02 40.38 1x5t s PHE 84 CO 0.62 -0.91 0.66 0.15 0.70 0.00 0.00 175.22 176.44 1x5t s LYS 85 N 0.58 3.16 0.30 0.44 1.02 -1.26 -4.99 119.74 118.98 1x5t s LYS 85 Ca 0.12 -0.77 -0.09 0.00 0.02 0.00 0.00 55.97 55.26 1x5t s LYS 85 Cb -0.22 -4.08 0.04 0.00 -0.52 0.00 0.00 37.83 33.05 1x5t s LYS 85 CO -0.04 -1.23 0.55 0.36 -0.92 0.00 0.00 175.35 174.08 1x5t n LYS 86 N 6.33 0.80 -3.48 1.68 -0.00 -1.26 -5.19 118.16 117.03 1x5t n LYS 86 Ca -0.05 -1.88 -0.14 0.00 -0.00 0.00 0.00 58.31 56.24 1x5t n LYS 86 Cb 0.46 2.16 -0.04 0.00 -0.00 0.00 0.00 35.03 37.61 1x5t n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1x5t s ASP 87 N -2.65 -0.57 -0.70 -5.58 1.01 -1.26 -5.09 116.67 101.84 1x5t s ASP 87 Ca 0.15 0.32 -0.26 0.00 0.71 0.00 0.00 52.55 53.48 1x5t s ASP 87 Cb -0.03 0.53 -0.10 0.00 1.01 0.00 0.00 42.92 44.33 1x5t s ASP 87 CO 0.11 -0.73 2.32 -0.94 0.21 0.00 0.00 175.17 176.14 1x5t s SER 88 N -1.96 4.28 0.13 0.27 1.04 -1.26 -4.87 113.70 111.34 1x5t s SER 88 Ca -0.04 0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.66 1x5t s SER 88 Cb -0.01 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1x5t s SER 88 CO -0.02 -3.35 0.14 -1.59 0.98 0.00 0.00 173.24 169.40 1x5t s LYS 89 N 8.37 0.98 0.00 4.02 0.00 -1.26 -5.10 119.74 126.75 1x5t s LYS 89 Ca 0.90 -1.29 0.00 0.00 0.00 0.00 0.00 55.97 55.57 1x5t s LYS 89 Cb -0.13 0.30 0.00 0.00 0.00 0.00 0.00 37.83 37.99 1x5t s LYS 89 CO 0.14 -0.31 0.00 0.41 0.00 0.00 0.00 175.35 175.59 1x5t n GLY 90 N -0.12 -1.47 3.36 0.59 0.00 -1.26 -5.19 105.19 101.10 1x5t n GLY 90 Ca -0.07 0.57 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 1.09 -0.46 1.61 0.15 -1.26 -5.13 113.70 109.70 1x5t s SER 91 Ca 0.00 -1.57 0.03 0.00 0.70 0.00 0.00 55.95 55.12 1x5t s SER 91 Cb 0.00 0.57 0.21 0.00 -1.71 0.00 0.00 66.02 65.09 1x5t s SER 91 CO 0.00 -1.12 0.88 0.61 1.20 0.00 0.00 173.24 174.81 1x5t n GLY 92 N -0.54 -0.76 3.62 9.45 0.00 -1.26 -5.12 105.19 110.58 1x5t n GLY 92 Ca 0.04 0.60 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 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 0.79 3.64 -0.05 1.61 0.04 -1.26 -4.99 135.00 134.79 1x5t s PRO 93 Ca 0.29 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 1x5t s PRO 93 Cb 0.09 -4.08 0.03 0.00 0.04 0.00 0.00 34.50 30.58 1x5t s PRO 93 CO -0.11 -1.48 -0.01 -1.12 0.04 0.00 0.00 177.00 174.32 1x5t s SER 94 N 4.72 1.02 0.41 6.66 0.01 -1.26 -5.15 113.70 120.11 1x5t s SER 94 Ca 0.73 -0.07 0.08 0.00 1.31 0.00 0.00 55.95 58.00 1x5t s SER 94 Cb -0.23 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1x5t s SER 94 CO 0.31 -0.13 0.52 -0.44 0.41 0.00 0.00 173.24 173.90 1x5t s SER 95 N 1.40 5.56 0.00 2.44 0.01 -1.26 -5.36 113.70 116.49 1x5t s SER 95 Ca -0.04 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1x5t s SER 95 Cb -0.13 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1x5t s SER 95 CO -0.03 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.54