#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 -3.34 -4.24 1.61 7.64 -1.26 -5.00 113.62 109.04 1x5t n SER 2 Ca 0.00 -0.56 -0.28 0.00 1.01 0.00 0.00 58.87 59.04 1x5t n SER 2 Cb 0.00 -0.72 -0.06 0.00 -1.01 0.00 0.00 64.21 62.42 1x5t n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5t n SER 3 N -3.68 2.80 0.00 6.43 7.64 -1.26 -5.09 113.62 120.45 1x5t n SER 3 Ca 0.09 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1x5t n SER 3 Cb 0.38 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1x5t n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5t n GLY 4 N -0.48 0.04 2.76 0.23 0.00 -1.26 -4.90 105.19 101.58 1x5t n GLY 4 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.70 6.27 0.00 1.61 3.41 -1.26 -4.50 113.62 118.45 1x5t n SER 5 Ca 0.00 -3.72 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1x5t n SER 5 Cb 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 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 -0.23 4.70 -4.36 4.04 7.64 -1.26 -4.98 113.62 119.16 1x5t n SER 6 Ca 0.43 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.83 1x5t n SER 6 Cb 0.34 0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 64.22 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 2.59 -1.83 3.72 0.23 0.00 -1.26 -4.76 105.19 103.89 1x5t n GLY 7 Ca 0.00 0.31 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.05 4.36 -0.17 -0.61 -4.36 -0.17 -2.32 121.20 116.88 1x5t s ILE 8 Ca 0.63 -0.56 -0.06 0.00 -0.26 0.00 0.00 60.65 60.40 1x5t s ILE 8 Cb -0.90 -2.98 -0.04 0.00 1.25 0.00 0.00 42.46 39.80 1x5t s ILE 8 CO 0.56 0.34 0.03 0.12 0.24 0.00 0.00 174.94 176.24 1x5t s PHE 9 N -1.15 3.20 -0.05 1.37 5.36 -0.70 -2.11 117.98 123.89 1x5t s PHE 9 Ca 0.21 0.00 0.06 0.00 -0.96 0.00 0.00 56.93 56.25 1x5t s PHE 9 Cb -0.12 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1x5t s PHE 9 CO 0.12 0.15 -0.23 0.42 -1.46 0.00 0.00 175.22 174.23 1x5t s ILE 10 N 0.22 1.88 0.14 3.12 1.01 -0.36 -2.06 121.20 125.15 1x5t s ILE 10 Ca 0.02 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1x5t s ILE 10 Cb -0.13 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1x5t s ILE 10 CO 0.01 0.53 -0.10 -0.83 0.00 0.00 0.00 174.94 174.55 1x5t s GLY 11 N -0.15 1.01 -0.33 6.18 0.00 -1.10 -0.12 107.32 112.82 1x5t s GLY 11 Ca -0.02 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 1x5t s GLY 11 CO 0.03 -1.56 0.28 -2.01 0.00 0.00 0.00 173.10 169.85 1x5t n ASN 12 N -0.13 -2.69 -4.67 1.64 5.15 0.59 -2.19 115.26 112.96 1x5t n ASN 12 Ca -0.11 -0.20 -0.35 0.00 -0.60 0.00 0.00 54.58 53.33 1x5t n ASN 12 Cb 0.60 -1.88 -0.09 0.00 -0.53 0.00 0.00 39.78 37.89 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 -3.49 3.94 0.30 1.20 1.43 0.82 -3.86 118.68 119.01 1x5t s LEU 13 Ca 0.07 0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.02 1x5t s LEU 13 Cb -0.01 -2.00 -0.14 0.00 0.03 0.00 0.00 46.19 44.08 1x5t s LEU 13 CO 0.22 0.19 1.10 -0.67 0.23 0.00 0.00 176.35 177.41 1x5t n ASP 14 N 3.45 1.72 0.00 2.29 -0.08 -1.26 -4.57 116.55 118.09 1x5t n ASP 14 Ca -0.17 1.19 0.08 0.00 -1.51 0.00 0.00 54.79 54.38 1x5t n ASP 14 Cb 0.52 -1.34 0.44 0.00 2.34 0.00 0.00 41.12 43.08 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 0.73 0.41 -0.00 -0.67 -0.04 -1.26 -1.99 135.00 132.18 1x5t n PRO 15 Ca 0.08 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1x5t n PRO 15 Cb 0.33 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.08 0.55 -2.26 0.54 1.02 -1.26 -4.96 120.64 113.18 1x5t n GLU 16 Ca 0.10 -0.15 -0.38 0.00 -0.02 0.00 0.00 57.16 56.71 1x5t n GLU 16 Cb 0.07 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1x5t s ILE 17 N -3.43 3.09 0.22 -3.67 1.01 -0.84 -5.05 121.20 112.53 1x5t s ILE 17 Ca -0.05 0.91 0.10 0.00 0.00 0.00 0.00 60.65 61.62 1x5t s ILE 17 Cb 0.14 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1x5t s ILE 17 CO 0.90 0.08 -0.20 -1.81 0.00 0.00 0.00 174.94 173.91 1x5t s ASP 18 N -1.11 3.20 0.30 3.58 1.01 -1.26 -5.00 116.67 117.39 1x5t s ASP 18 Ca 0.58 -0.95 0.03 0.00 0.71 0.00 0.00 52.55 52.92 1x5t s ASP 18 Cb -0.31 -0.23 0.78 0.00 1.01 0.00 0.00 42.92 44.17 1x5t s ASP 18 CO 0.39 0.01 1.61 -0.33 0.21 0.00 0.00 175.17 177.06 1x5t h GLU 19 N 2.78 0.09 0.32 8.23 5.08 -1.96 0.33 114.58 129.45 1x5t h GLU 19 Ca -0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1x5t h GLU 19 Cb 1.23 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1x5t h GLU 19 CO 0.55 0.06 -0.43 0.87 -1.00 0.00 0.00 179.01 179.06 1x5t h LYS 20 N 0.09 -0.77 -0.02 2.33 1.57 -1.96 -1.67 116.57 116.14 1x5t h LYS 20 Ca 0.60 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1x5t h LYS 20 Cb 1.27 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1x5t h LYS 20 CO -0.78 -0.52 -0.08 1.25 -0.57 0.00 0.00 179.45 178.75 1x5t h LEU 21 N -0.80 -0.26 -0.94 2.94 5.85 -1.35 -2.30 115.31 118.45 1x5t h LEU 21 Ca -0.02 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.88 1x5t h LEU 21 Cb 0.74 0.10 -0.15 0.00 0.37 0.00 0.00 40.66 41.72 1x5t h LEU 21 CO -0.13 -0.07 -0.36 0.18 -0.34 0.00 0.00 178.44 177.72 1x5t n LEU 22 N -3.00 -0.59 -0.36 2.25 4.77 -0.92 -0.31 117.00 118.83 1x5t n LEU 22 Ca -0.01 1.63 -0.12 0.00 -0.03 0.00 0.00 56.01 57.49 1x5t n LEU 22 Cb 0.06 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1x5t n LEU 22 CO 0.01 -1.47 0.48 0.22 -1.33 0.00 0.00 177.39 175.30 1x5t h TYR 23 N 0.00 -1.86 0.48 -1.77 5.03 -0.74 0.54 116.97 118.65 1x5t h TYR 23 Ca 0.33 0.12 -0.02 0.00 2.58 0.00 0.00 58.73 61.74 1x5t h TYR 23 Cb 0.57 0.93 0.00 0.00 1.55 0.00 0.00 36.73 39.78 1x5t h TYR 23 CO -0.81 -0.39 -0.23 0.22 -1.32 0.00 0.00 178.16 175.62 1x5t h ASP 24 N -0.08 -0.55 -1.21 -2.11 1.82 -0.55 0.68 116.42 114.43 1x5t h ASP 24 Ca 0.14 -0.08 0.43 0.00 -0.39 0.00 0.00 57.03 57.13 1x5t h ASP 24 Cb 0.44 0.14 -0.13 0.00 0.68 0.00 0.00 39.33 40.46 1x5t h ASP 24 CO -0.87 -0.19 0.76 0.41 -1.61 0.00 0.00 179.24 177.74 1x5t n THR 25 N -5.26 -0.25 -0.08 2.25 -1.04 0.57 0.12 114.28 110.60 1x5t n THR 25 Ca -0.11 1.66 -0.11 0.00 -2.04 0.00 0.00 64.05 63.45 1x5t n THR 25 Cb 0.31 -2.71 -0.15 0.00 -1.82 0.00 0.00 70.33 65.96 1x5t n THR 25 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x5t n PHE 26 N -4.58 0.31 -0.26 -1.42 3.01 0.12 -4.27 117.46 110.37 1x5t n PHE 26 Ca 0.36 0.11 0.27 0.00 1.01 0.00 0.00 57.45 59.20 1x5t n PHE 26 Cb 1.39 -1.06 0.64 0.00 -0.01 0.00 0.00 39.48 40.44 1x5t n PHE 26 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5t h SER 27 N 0.00 0.19 -0.63 4.37 0.87 0.72 0.21 113.55 119.29 1x5t h SER 27 Ca -0.48 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.23 1x5t h SER 27 Cb 2.15 -0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 64.02 1x5t h SER 27 CO 0.03 0.05 0.17 0.00 -0.53 0.00 0.00 176.83 176.56 1x5t h ALA 28 N 1.55 0.78 0.02 6.23 0.00 -1.55 -3.19 119.26 123.10 1x5t h ALA 28 Ca 0.51 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 1x5t h ALA 28 Cb 1.70 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1x5t h ALA 28 CO -0.12 -0.27 -0.01 0.74 0.00 0.00 0.00 179.25 179.59 1x5t h PHE 29 N 0.31 -0.03 -4.25 0.00 0.04 -1.22 -3.48 116.94 108.30 1x5t h PHE 29 Ca 0.33 -0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.75 1x5t h PHE 29 Cb 0.49 0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.57 1x5t h PHE 29 CO -0.22 -0.02 -0.29 0.41 -0.60 0.00 0.00 178.31 177.60 1x5t n GLY 30 N 0.48 3.63 3.67 -1.45 0.00 -1.15 -5.03 105.19 105.33 1x5t n GLY 30 Ca -0.00 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 1x5t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5t s VAL 31 N -2.40 5.24 0.26 1.61 1.01 -1.26 -4.06 120.40 120.80 1x5t s VAL 31 Ca 0.10 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1x5t s VAL 31 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1x5t s VAL 31 CO 0.07 0.28 1.03 -0.63 0.00 0.00 0.00 175.10 175.85 1x5t s ILE 32 N 1.22 3.75 0.01 2.22 1.01 -1.26 -1.74 121.20 126.41 1x5t s ILE 32 Ca 0.16 1.75 -0.25 0.00 0.00 0.00 0.00 60.65 62.31 1x5t s ILE 32 Cb -0.14 -4.12 -0.18 0.00 0.01 0.00 0.00 42.46 38.03 1x5t s ILE 32 CO 0.07 0.41 1.35 -0.07 0.00 0.00 0.00 174.94 176.70 1x5t h LEU 33 N 4.03 -0.08 -7.56 2.97 3.38 -1.62 -3.45 115.31 112.97 1x5t h LEU 33 Ca -0.46 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.18 1x5t h LEU 33 Cb 1.21 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1x5t h LEU 33 CO 0.68 0.28 0.06 -1.10 0.09 0.00 0.00 178.44 178.45 1x5t s GLN 34 N -4.73 1.36 0.02 1.13 -0.21 -1.26 -5.07 119.66 110.90 1x5t s GLN 34 Ca -0.15 -0.80 -0.32 0.00 0.02 0.00 0.00 55.36 54.12 1x5t s GLN 34 Cb 0.03 0.53 -0.16 0.00 1.00 0.00 0.00 33.01 34.41 1x5t s GLN 34 CO 0.64 -0.58 0.82 2.41 -2.12 0.00 0.00 175.29 176.46 1x5t n THR 35 N -0.34 0.21 -2.26 -0.19 -1.04 -1.26 -4.79 114.28 104.61 1x5t n THR 35 Ca -0.11 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.49 1x5t n THR 35 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.10 3.38 -0.21 -2.82 0.04 -1.26 -4.98 135.00 129.05 1x5t s PRO 36 Ca 0.72 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 1x5t s PRO 36 Cb -1.01 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1x5t s PRO 36 CO 0.47 -0.83 0.07 0.15 0.04 0.00 0.00 177.00 176.90 1x5t s LYS 37 N -3.25 3.89 -0.25 4.56 1.02 -0.81 -4.93 119.74 119.97 1x5t s LYS 37 Ca 0.72 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 1x5t s LYS 37 Cb -0.24 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1x5t s LYS 37 CO 0.27 0.12 -0.07 0.42 -0.92 0.00 0.00 175.35 175.18 1x5t s ILE 38 N 0.79 2.78 -0.69 2.17 1.01 -1.26 -0.77 121.20 125.23 1x5t s ILE 38 Ca 0.04 -1.06 -0.26 0.00 0.00 0.00 0.00 60.65 59.37 1x5t s ILE 38 Cb -0.13 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1x5t s ILE 38 CO 0.02 0.20 2.01 -0.04 0.00 0.00 0.00 174.94 177.14 1x5t s MET 39 N 1.31 2.44 0.00 2.79 -1.94 -1.14 -4.86 119.30 117.90 1x5t s MET 39 Ca -0.00 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.45 1x5t s MET 39 Cb -0.17 -4.63 0.00 0.00 2.01 0.00 0.00 34.83 32.04 1x5t s MET 39 CO -0.05 -3.14 0.43 0.54 -0.01 0.00 0.00 175.02 172.80 1x5t n ARG 40 N 9.04 0.00 -3.59 2.03 1.74 -1.26 -2.44 116.66 122.18 1x5t n ARG 40 Ca 0.30 0.22 -0.05 0.00 -0.77 0.00 0.00 57.85 57.55 1x5t n ARG 40 Cb 0.50 -1.02 -0.02 0.00 -1.02 0.00 0.00 32.46 30.90 1x5t n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1x5t s ASP 41 N -1.95 -0.16 0.38 0.55 1.01 -1.26 -0.34 116.67 114.90 1x5t s ASP 41 Ca 0.00 0.04 0.17 0.00 0.71 0.00 0.00 52.55 53.47 1x5t s ASP 41 Cb 0.00 0.16 0.77 0.00 1.01 0.00 0.00 42.92 44.86 1x5t s ASP 41 CO 0.00 -0.25 1.80 1.55 0.21 0.00 0.00 175.17 178.48 1x5t h PRO 42 N 2.05 0.00 0.00 8.23 0.13 -1.97 -3.27 132.00 137.17 1x5t h PRO 42 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1x5t h PRO 42 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x5t h PRO 42 CO 0.24 0.36 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 1x5t n ASP 43 N -3.74 0.00 0.15 1.44 9.92 -1.26 -4.81 116.55 118.25 1x5t n ASP 43 Ca -0.01 0.00 0.19 0.00 -0.53 0.00 0.00 54.79 54.44 1x5t n ASP 43 Cb 0.45 0.00 0.71 0.00 -0.64 0.00 0.00 41.12 41.64 1x5t n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5t h THR 44 N 0.00 0.21 -6.99 -3.53 1.03 -1.97 -3.44 112.91 98.22 1x5t h THR 44 Ca 0.00 0.00 -0.60 0.00 -0.01 0.00 0.00 66.41 65.80 1x5t h THR 44 Cb 0.00 0.57 -0.25 0.00 -1.07 0.00 0.00 68.15 67.40 1x5t h THR 44 CO 0.00 0.00 -0.92 0.61 -0.01 0.00 0.00 175.52 175.20 1x5t n GLY 45 N -1.43 -0.28 0.00 2.99 0.00 -1.24 -4.86 105.19 100.37 1x5t n GLY 45 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1x5t n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5t n ASN 46 N -2.72 0.00 -3.35 1.61 5.15 -1.26 -4.56 115.26 110.13 1x5t n ASN 46 Ca -0.11 0.04 0.02 0.00 -0.60 0.00 0.00 54.58 53.93 1x5t n ASN 46 Cb 0.58 -0.39 -0.04 0.00 -0.53 0.00 0.00 39.78 39.39 1x5t n ASN 46 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x5t s SER 47 N -3.28 -0.34 -0.11 1.20 1.04 -1.08 -4.70 113.70 106.45 1x5t s SER 47 Ca 0.00 0.47 -0.23 0.00 0.48 0.00 0.00 55.95 56.68 1x5t s SER 47 Cb 0.00 1.35 -0.27 0.00 0.10 0.00 0.00 66.02 67.20 1x5t s SER 47 CO 0.00 -0.07 0.69 0.11 0.98 0.00 0.00 173.24 174.95 1x5t h LYS 48 N 7.05 0.16 0.00 4.02 1.79 -0.34 -3.47 116.57 125.77 1x5t h LYS 48 Ca -0.16 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1x5t h LYS 48 Cb 1.13 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1x5t h LYS 48 CO 0.09 1.13 0.00 0.41 -1.08 0.00 0.00 179.45 180.00 1x5t n GLY 49 N 1.64 0.26 3.15 3.86 0.00 -1.26 -5.01 105.19 107.82 1x5t n GLY 49 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.03 0.10 0.27 1.61 -0.85 -1.26 0.22 117.35 116.41 1x5t s TYR 50 Ca 0.00 -0.34 -0.07 0.00 -0.52 0.00 0.00 57.07 56.14 1x5t s TYR 50 Cb 0.00 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 1x5t s TYR 50 CO 0.00 -0.39 0.42 0.00 -1.52 0.00 0.00 175.55 174.05 1x5t s ALA 51 N -2.45 0.39 -0.02 9.51 0.00 0.83 -2.89 121.76 127.13 1x5t s ALA 51 Ca -0.06 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.66 1x5t s ALA 51 Cb -0.02 1.16 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 1x5t s ALA 51 CO -0.03 -0.78 -0.10 -0.06 0.00 0.00 0.00 175.76 174.78 1x5t s PHE 52 N -3.68 1.01 0.02 0.00 0.40 0.05 -1.22 117.98 114.56 1x5t s PHE 52 Ca 0.28 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1x5t s PHE 52 Cb 0.01 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.83 1x5t s PHE 52 CO 0.14 -0.08 -0.06 0.42 0.70 0.00 0.00 175.22 176.34 1x5t s ILE 53 N 0.05 0.41 -0.12 0.64 1.01 -0.90 -1.92 121.20 120.38 1x5t s ILE 53 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1x5t s ILE 53 Cb -0.07 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 1x5t s ILE 53 CO 0.00 -0.15 -0.20 0.20 0.00 0.00 0.00 174.94 174.79 1x5t s ASN 54 N -0.84 3.43 0.56 3.58 -0.87 -1.26 -1.00 114.94 118.53 1x5t s ASN 54 Ca -0.05 -0.48 0.02 0.00 -1.57 0.00 0.00 52.86 50.78 1x5t s ASN 54 Cb -0.06 -1.49 0.04 0.00 -0.02 0.00 0.00 41.25 39.72 1x5t s ASN 54 CO 0.00 0.15 0.78 -0.36 -2.57 0.00 0.00 177.10 175.10 1x5t s PHE 55 N 0.42 2.74 -0.00 2.20 0.08 -1.26 -1.90 117.98 120.26 1x5t s PHE 55 Ca -0.14 -0.06 -0.25 0.00 0.12 0.00 0.00 56.93 56.60 1x5t s PHE 55 Cb -0.17 -2.75 -0.17 0.00 -0.57 0.00 0.00 43.02 39.36 1x5t s PHE 55 CO 0.06 -0.92 1.22 0.00 -0.10 0.00 0.00 175.22 175.49 1x5t h ALA 56 N 0.06 -0.25 -0.75 5.36 0.00 -1.66 -3.42 119.26 118.60 1x5t h ALA 56 Ca -0.41 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 53.66 1x5t h ALA 56 Cb 1.29 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 1x5t h ALA 56 CO 0.51 -0.44 -0.51 -1.12 0.00 0.00 0.00 179.25 177.69 1x5t s SER 57 N -5.31 3.69 -0.07 0.00 0.01 -1.26 -4.74 113.70 106.02 1x5t s SER 57 Ca -0.14 -1.69 -0.26 0.00 1.31 0.00 0.00 55.95 55.17 1x5t s SER 57 Cb 0.02 0.58 -0.21 0.00 0.21 0.00 0.00 66.02 66.61 1x5t s SER 57 CO 0.57 -0.91 0.99 0.15 0.41 0.00 0.00 173.24 174.46 1x5t h PHE 58 N 1.47 -0.04 -0.92 2.43 3.57 -1.95 -3.30 116.94 118.20 1x5t h PHE 58 Ca -0.41 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.26 1x5t h PHE 58 Cb 1.30 0.01 -0.17 0.00 2.79 0.00 0.00 35.95 39.89 1x5t h PHE 58 CO 1.59 0.62 -0.28 0.22 -2.23 0.00 0.00 178.31 178.23 1x5t h ASP 59 N -0.75 -1.03 -0.62 0.41 3.58 -2.00 0.39 116.42 116.40 1x5t h ASP 59 Ca -0.00 0.28 0.13 0.00 0.42 0.00 0.00 57.03 57.86 1x5t h ASP 59 Cb 0.67 0.62 -0.10 0.00 1.72 0.00 0.00 39.33 42.24 1x5t h ASP 59 CO 0.01 -0.30 0.05 0.00 -2.88 0.00 0.00 179.24 176.12 1x5t h ALA 60 N 1.72 0.67 -0.06 -0.78 0.00 -1.96 0.40 119.26 119.24 1x5t h ALA 60 Ca 0.40 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.50 1x5t h ALA 60 Cb 0.65 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x5t h ALA 60 CO -0.95 -0.37 0.06 0.77 0.00 0.00 0.00 179.25 178.77 1x5t h SER 61 N 0.17 0.00 0.05 0.00 0.02 -0.30 -2.30 113.55 111.18 1x5t h SER 61 Ca 0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1x5t h SER 61 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1x5t h SER 61 CO -0.49 0.00 -0.03 -0.78 -1.14 0.00 0.00 176.83 174.39 1x5t h ASP 62 N 0.00 -0.06 -0.75 3.07 3.58 0.29 -2.29 116.42 120.26 1x5t h ASP 62 Ca 0.03 -0.31 0.17 0.00 0.42 0.00 0.00 57.03 57.33 1x5t h ASP 62 Cb 0.15 0.02 -0.11 0.00 1.72 0.00 0.00 39.33 41.10 1x5t h ASP 62 CO -0.00 0.29 0.18 0.00 -2.88 0.00 0.00 179.24 176.83 1x5t h ALA 63 N 0.51 0.98 0.54 -0.78 0.00 -1.20 -0.14 119.26 119.16 1x5t h ALA 63 Ca -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1x5t h ALA 63 Cb 0.37 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1x5t h ALA 63 CO 0.01 -0.35 -0.26 0.00 0.00 0.00 0.00 179.25 178.66 1x5t h ALA 64 N 1.62 -1.01 0.00 0.00 0.00 -1.52 -0.56 119.26 117.80 1x5t h ALA 64 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1x5t h ALA 64 Cb 0.74 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1x5t h ALA 64 CO -0.52 -0.95 0.54 0.82 0.00 0.00 0.00 179.25 179.13 1x5t h ILE 65 N -0.84 0.00 0.04 0.00 2.04 -1.06 1.20 117.51 118.89 1x5t h ILE 65 Ca -0.07 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.60 1x5t h ILE 65 Cb 0.55 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1x5t h ILE 65 CO 0.12 0.00 -0.96 -0.08 0.00 0.00 0.00 178.15 177.23 1x5t h GLU 66 N 0.00 0.09 0.00 2.37 4.57 -0.71 -3.36 114.58 117.54 1x5t h GLU 66 Ca 0.00 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1x5t h GLU 66 Cb 1.08 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1x5t h GLU 66 CO 0.00 1.07 -0.75 0.00 -1.18 0.00 0.00 179.01 178.15 1x5t n ALA 67 N -3.03 1.14 -0.39 2.92 0.00 0.44 -4.55 120.51 117.05 1x5t n ALA 67 Ca -0.23 -0.64 0.31 0.00 0.00 0.00 0.00 53.44 52.88 1x5t n ALA 67 Cb 0.70 0.06 0.59 0.00 0.00 0.00 0.00 19.45 20.80 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 -0.75 0.20 -5.26 0.00 2.86 0.12 -3.20 114.93 108.89 1x5t h MET 68 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1x5t h MET 68 Cb 0.75 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 1x5t h MET 68 CO 0.00 0.13 0.02 -1.71 1.06 0.00 0.00 176.91 176.41 1x5t n ASN 69 N -4.68 1.64 0.00 1.22 2.85 -0.39 -0.82 115.26 115.09 1x5t n ASN 69 Ca 0.32 -1.77 0.00 0.00 -0.11 0.00 0.00 54.58 53.02 1x5t n ASN 69 Cb 1.20 -1.68 0.00 0.00 1.24 0.00 0.00 39.78 40.54 1x5t n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5t n GLY 70 N 6.61 2.18 3.51 8.20 0.00 -0.39 -4.87 105.19 120.43 1x5t n GLY 70 Ca 0.45 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.35 0.00 -2.04 1.61 1.13 -0.00 -4.41 117.38 113.32 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 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 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 2.26 1.70 0.67 1.08 5.04 -1.26 -2.85 117.35 123.98 1x5t s TYR 72 Ca 0.97 0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1x5t s TYR 72 Cb -1.38 -4.09 0.09 0.00 0.35 0.00 0.00 41.96 36.93 1x5t s TYR 72 CO 0.73 -2.40 0.94 -1.17 -1.34 0.00 0.00 175.55 172.31 1x5t s LEU 73 N 8.69 3.04 -0.51 6.97 2.96 -0.63 -4.83 118.68 134.36 1x5t s LEU 73 Ca 0.69 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 54.40 1x5t s LEU 73 Cb -0.14 -2.38 -0.17 0.00 0.50 0.00 0.00 46.19 44.00 1x5t s LEU 73 CO 0.23 -1.64 1.14 0.00 -1.32 0.00 0.00 176.35 174.75 1x5t n ASN 75 N 3.10 0.69 -3.17 0.00 3.02 -1.26 -4.61 115.26 113.04 1x5t n ASN 75 Ca 0.35 -1.15 0.05 0.00 -0.03 0.00 0.00 54.58 53.80 1x5t n ASN 75 Cb 0.07 -1.43 -0.02 0.00 -0.61 0.00 0.00 39.78 37.79 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x5t s ARG 76 N -6.91 0.27 -0.49 3.52 0.52 0.19 -4.96 118.95 111.08 1x5t s ARG 76 Ca 0.05 0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 55.48 1x5t s ARG 76 Cb -0.03 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.69 1x5t s ARG 76 CO 0.90 -0.28 1.79 -1.25 0.02 0.00 0.00 175.30 176.48 1x5t s PRO 77 N 2.90 2.97 0.63 3.54 0.04 -1.26 -1.61 135.00 142.22 1x5t s PRO 77 Ca 0.03 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 1x5t s PRO 77 Cb -0.11 -4.28 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 1x5t s PRO 77 CO -0.13 -2.30 1.04 0.96 0.04 0.00 0.00 177.00 176.60 1x5t s ILE 78 N 7.92 4.59 0.03 0.56 -4.36 -1.13 -4.74 121.20 124.07 1x5t s ILE 78 Ca 0.71 0.84 0.03 0.00 -0.26 0.00 0.00 60.65 61.97 1x5t s ILE 78 Cb -0.16 -3.80 -0.02 0.00 1.25 0.00 0.00 42.46 39.73 1x5t s ILE 78 CO 0.26 -1.10 -0.09 0.28 0.24 0.00 0.00 174.94 174.54 1x5t s THR 79 N -3.16 0.64 -0.09 8.37 -1.32 -0.93 -1.26 115.64 117.88 1x5t s THR 79 Ca 0.55 -0.81 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 1x5t s THR 79 Cb -0.11 -0.63 0.01 0.00 -1.51 0.00 0.00 72.50 70.26 1x5t s THR 79 CO 0.54 -0.15 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.96 1x5t s VAL 80 N -0.89 1.42 -0.21 5.08 1.01 -1.26 -2.70 120.40 122.85 1x5t s VAL 80 Ca -0.04 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1x5t s VAL 80 Cb -0.07 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 35.09 1x5t s VAL 80 CO 0.00 0.42 0.52 -0.44 0.00 0.00 0.00 175.10 175.60 1x5t s SER 81 N 0.82 -0.68 0.13 3.32 0.01 -0.87 -4.75 113.70 111.68 1x5t s SER 81 Ca -0.10 1.14 -0.34 0.00 1.31 0.00 0.00 55.95 57.95 1x5t s SER 81 Cb -0.15 1.05 -0.17 0.00 0.21 0.00 0.00 66.02 66.96 1x5t s SER 81 CO 0.01 -0.21 1.10 -1.22 0.41 0.00 0.00 173.24 173.33 1x5t n TYR 82 N 4.36 1.01 -0.80 2.43 4.01 -1.26 -1.73 117.16 125.18 1x5t n TYR 82 Ca -0.21 0.78 -0.29 0.00 -0.16 0.00 0.00 57.90 58.01 1x5t n TYR 82 Cb 0.56 -2.22 0.20 0.00 -0.31 0.00 0.00 39.34 37.58 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t s ALA 83 N -0.15 0.52 0.33 -0.72 0.00 -0.98 -4.75 121.76 116.01 1x5t s ALA 83 Ca 0.77 -0.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 1x5t s ALA 83 Cb -0.95 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 18.76 1x5t s ALA 83 CO 0.53 -3.18 0.46 0.34 0.00 0.00 0.00 175.76 173.90 1x5t n PHE 84 N -4.47 -0.75 -4.09 0.00 7.35 -1.26 -4.98 117.46 109.25 1x5t n PHE 84 Ca 0.06 0.75 -0.13 0.00 -0.76 0.00 0.00 57.45 57.37 1x5t n PHE 84 Cb 0.54 -1.95 -0.06 0.00 0.35 0.00 0.00 39.48 38.37 1x5t n PHE 84 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1x5t s LYS 85 N -1.21 1.68 0.08 -4.13 -2.85 -1.26 -5.00 119.74 107.05 1x5t s LYS 85 Ca 0.62 -1.61 0.08 0.00 -1.00 0.00 0.00 55.97 54.07 1x5t s LYS 85 Cb -0.74 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 35.42 1x5t s LYS 85 CO 0.59 -0.67 -0.22 -1.59 0.10 0.00 0.00 175.35 173.55 1x5t s LYS 86 N -3.54 1.30 -0.14 1.78 -2.85 -1.26 -5.14 119.74 109.90 1x5t s LYS 86 Ca 0.30 -1.12 -0.07 0.00 -1.00 0.00 0.00 55.97 54.08 1x5t s LYS 86 Cb 0.01 -1.55 -0.04 0.00 -2.06 0.00 0.00 37.83 34.19 1x5t s LYS 86 CO 0.16 0.38 0.12 0.16 0.10 0.00 0.00 175.35 176.27 1x5t s ASP 87 N -1.66 6.19 0.15 0.03 1.47 -1.26 -5.08 116.67 116.51 1x5t s ASP 87 Ca 0.08 0.36 -0.25 0.00 1.18 0.00 0.00 52.55 53.93 1x5t s ASP 87 Cb -0.10 -2.01 0.07 0.00 -0.34 0.00 0.00 42.92 40.54 1x5t s ASP 87 CO 0.04 0.34 0.99 -0.55 0.68 0.00 0.00 175.17 176.67 1x5t s SER 88 N -0.64 -0.15 0.46 2.11 0.15 -1.26 -5.19 113.70 109.18 1x5t s SER 88 Ca 0.13 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.37 1x5t s SER 88 Cb -0.12 0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x5t s SER 88 CO 0.02 -0.87 0.03 0.29 1.20 0.00 0.00 173.24 173.91 1x5t n LYS 89 N -0.49 0.78 0.00 5.44 5.02 -1.26 -5.14 118.16 122.51 1x5t n LYS 89 Ca -0.06 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1x5t n LYS 89 Cb 0.61 1.14 0.00 0.00 -0.02 0.00 0.00 35.03 36.76 1x5t n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x5t n GLY 90 N -0.73 0.10 3.31 0.72 0.00 -1.26 -5.19 105.19 102.15 1x5t n GLY 90 Ca -0.17 0.66 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.04 -0.45 1.61 0.15 -1.26 -5.13 113.70 108.57 1x5t s SER 91 Ca 0.00 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.06 1x5t s SER 91 Cb 0.00 0.43 0.12 0.00 -1.71 0.00 0.00 66.02 64.86 1x5t s SER 91 CO 0.00 -0.85 0.21 -0.83 1.20 0.00 0.00 173.24 172.98 1x5t s GLY 92 N -2.88 2.18 1.09 9.45 0.00 -1.26 -5.10 107.32 110.80 1x5t s GLY 92 Ca 0.08 -2.85 -0.15 0.00 0.00 0.00 0.00 44.72 41.80 1x5t s GLY 92 CO -0.07 1.01 1.10 2.56 0.00 0.00 0.00 173.10 177.70 1x5t s PRO 93 N 0.49 -0.30 -0.14 2.90 0.04 -1.26 -5.09 135.00 131.64 1x5t s PRO 93 Ca 0.13 0.27 -0.32 0.00 0.04 0.00 0.00 61.00 61.12 1x5t s PRO 93 Cb -0.22 -1.67 0.13 0.00 0.04 0.00 0.00 34.50 32.78 1x5t s PRO 93 CO -0.04 -3.17 1.08 0.45 0.04 0.00 0.00 177.00 175.37 1x5t s SER 94 N -3.63 -0.24 -1.60 6.66 0.15 -1.26 -4.98 113.70 108.80 1x5t s SER 94 Ca 0.68 0.09 -0.12 0.00 0.70 0.00 0.00 55.95 57.30 1x5t s SER 94 Cb -0.15 0.24 0.10 0.00 -1.71 0.00 0.00 66.02 64.50 1x5t s SER 94 CO 0.57 -0.35 0.68 -1.20 1.20 0.00 0.00 173.24 174.14 1x5t n SER 95 N 0.11 -2.48 0.00 5.45 7.64 -1.26 -5.36 113.62 117.72 1x5t n SER 95 Ca -0.05 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1x5t n SER 95 Cb 0.59 -2.92 0.00 0.00 -1.01 0.00 0.00 64.21 60.87 1x5t n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64