#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t s SER 2 N 0.00 3.92 -1.49 1.61 1.04 -1.26 -4.81 113.70 112.71 1x5t s SER 2 Ca 0.00 0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.36 1x5t s SER 2 Cb 0.00 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1x5t s SER 2 CO 0.00 -3.86 2.61 -1.20 0.98 0.00 0.00 173.24 171.77 1x5t n SER 3 N 18.57 7.59 -4.57 7.02 7.64 -1.26 -4.95 113.62 143.66 1x5t n SER 3 Ca 0.47 -2.81 -0.46 0.00 1.01 0.00 0.00 58.87 57.07 1x5t n SER 3 Cb 0.43 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.08 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 3.06 1.01 0.00 0.23 0.00 -1.26 -4.72 105.19 103.51 1x5t n GLY 4 Ca 0.67 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.54 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 9.90 2.76 -3.52 1.61 3.41 -1.26 -4.91 113.62 121.61 1x5t n SER 5 Ca 0.31 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.65 1x5t n SER 5 Cb 0.35 0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1x5t n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5t n SER 6 N -1.62 3.19 -2.88 4.04 3.41 -1.26 -5.08 113.62 113.41 1x5t n SER 6 Ca 0.00 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 1x5t n SER 6 Cb 0.30 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.21 -0.28 3.32 5.00 0.00 -1.26 -4.35 105.19 108.84 1x5t n GLY 7 Ca 0.27 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 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 0.09 0.04 -0.18 -0.61 -4.36 0.97 -4.17 121.20 112.97 1x5t s ILE 8 Ca 0.00 -0.30 -0.03 0.00 -0.26 0.00 0.00 60.65 60.05 1x5t s ILE 8 Cb 0.00 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.97 1x5t s ILE 8 CO 0.00 -0.17 -0.05 0.12 0.24 0.00 0.00 174.94 175.09 1x5t s PHE 9 N -1.15 2.96 -0.07 1.37 5.36 -0.34 -2.12 117.98 124.00 1x5t s PHE 9 Ca -0.12 -0.62 0.05 0.00 -0.96 0.00 0.00 56.93 55.29 1x5t s PHE 9 Cb -0.04 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1x5t s PHE 9 CO 0.05 -0.29 -0.24 0.42 -1.46 0.00 0.00 175.22 173.71 1x5t s ILE 10 N 0.90 2.18 0.29 3.12 1.01 -0.77 -2.01 121.20 125.92 1x5t s ILE 10 Ca -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1x5t s ILE 10 Cb -0.15 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 1x5t s ILE 10 CO 0.01 0.57 0.07 -0.83 0.00 0.00 0.00 174.94 174.75 1x5t s GLY 11 N -0.11 1.90 -1.01 6.18 0.00 -1.18 -0.19 107.32 112.91 1x5t s GLY 11 Ca -0.05 -1.96 -0.06 0.00 0.00 0.00 0.00 44.72 42.65 1x5t s GLY 11 CO 0.04 -1.72 0.81 -2.01 0.00 0.00 0.00 173.10 170.22 1x5t n ASN 12 N -0.58 -5.17 -4.75 1.64 5.15 -0.63 -2.82 115.26 108.10 1x5t n ASN 12 Ca -0.02 -0.37 -0.40 0.00 -0.60 0.00 0.00 54.58 53.20 1x5t n ASN 12 Cb 0.66 -3.80 -0.05 0.00 -0.53 0.00 0.00 39.78 36.06 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 -5.52 4.46 0.36 1.20 1.43 0.25 -4.15 118.68 116.71 1x5t s LEU 13 Ca 0.40 1.40 -0.28 0.00 -1.03 0.00 0.00 54.13 54.61 1x5t s LEU 13 Cb -0.18 -3.16 -0.11 0.00 0.03 0.00 0.00 46.19 42.77 1x5t s LEU 13 CO 0.50 0.06 1.50 -0.62 0.23 0.00 0.00 176.35 178.01 1x5t s ASP 14 N -0.21 6.37 0.00 2.29 2.15 -1.26 -4.77 116.67 121.24 1x5t s ASP 14 Ca 0.36 3.01 0.15 0.00 0.43 0.00 0.00 52.55 56.50 1x5t s ASP 14 Cb -0.20 -2.66 0.73 0.00 -0.30 0.00 0.00 42.92 40.48 1x5t s ASP 14 CO 0.22 -0.87 1.41 -0.81 -0.17 0.00 0.00 175.17 174.96 1x5t n PRO 15 N 0.82 0.18 0.00 4.34 -0.04 -1.26 -1.94 135.00 137.10 1x5t n PRO 15 Ca 0.02 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1x5t n PRO 15 Cb 0.39 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.32 0.34 -2.88 0.54 1.02 -1.26 -4.92 120.64 112.17 1x5t n GLU 16 Ca 0.06 -0.22 -0.31 0.00 -0.02 0.00 0.00 57.16 56.67 1x5t n GLU 16 Cb 0.13 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.81 4.69 0.14 -3.67 1.01 -0.82 -5.09 121.20 114.65 1x5t s ILE 17 Ca 0.15 0.87 0.05 0.00 0.00 0.00 0.00 60.65 61.72 1x5t s ILE 17 Cb 0.18 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1x5t s ILE 17 CO 0.66 -0.42 -0.12 -1.81 0.00 0.00 0.00 174.94 173.25 1x5t s ASP 18 N -2.80 1.92 0.33 3.58 1.01 -1.26 -5.02 116.67 114.43 1x5t s ASP 18 Ca 0.54 -0.93 0.10 0.00 0.71 0.00 0.00 52.55 52.97 1x5t s ASP 18 Cb -0.10 -0.04 0.98 0.00 1.01 0.00 0.00 42.92 44.77 1x5t s ASP 18 CO 0.26 -0.25 1.62 -0.33 0.21 0.00 0.00 175.17 176.68 1x5t h GLU 19 N 3.06 0.15 0.21 8.23 5.08 -1.99 -1.00 114.58 128.33 1x5t h GLU 19 Ca -0.38 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1x5t h GLU 19 Cb 1.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1x5t h GLU 19 CO 0.58 0.10 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.22 1x5t h LYS 20 N 0.16 -0.45 -0.11 2.33 1.63 -1.95 -1.96 116.57 116.22 1x5t h LYS 20 Ca 0.69 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.54 1x5t h LYS 20 Cb 1.57 0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 33.26 1x5t h LYS 20 CO -0.71 -0.30 -0.37 1.25 -3.45 0.00 0.00 179.45 175.86 1x5t h LEU 21 N -0.47 -1.17 -0.85 5.20 5.85 -1.62 -1.48 115.31 120.77 1x5t h LEU 21 Ca -0.03 0.14 0.19 0.00 0.84 0.00 0.00 57.88 59.02 1x5t h LEU 21 Cb 0.42 0.46 -0.16 0.00 0.37 0.00 0.00 40.66 41.75 1x5t h LEU 21 CO -0.06 -0.32 -0.14 0.18 -0.34 0.00 0.00 178.44 177.76 1x5t n LEU 22 N -4.49 -0.24 0.02 2.25 4.77 -0.76 -0.12 117.00 118.42 1x5t n LEU 22 Ca -0.04 1.46 -0.15 0.00 -0.03 0.00 0.00 56.01 57.24 1x5t n LEU 22 Cb 0.25 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 1x5t n LEU 22 CO 0.05 -1.42 0.51 0.22 -1.33 0.00 0.00 177.39 175.42 1x5t h TYR 23 N 0.00 -1.60 0.24 -1.77 5.03 -0.45 -1.44 116.97 116.97 1x5t h TYR 23 Ca 0.44 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.80 1x5t h TYR 23 Cb 0.75 0.71 0.00 0.00 1.55 0.00 0.00 36.73 39.75 1x5t h TYR 23 CO -0.59 -0.56 -0.11 0.22 -1.32 0.00 0.00 178.16 175.80 1x5t h ASP 24 N -0.62 -0.27 -1.00 -2.11 3.58 -0.36 0.52 116.42 116.17 1x5t h ASP 24 Ca 0.02 -0.07 0.39 0.00 0.42 0.00 0.00 57.03 57.79 1x5t h ASP 24 Cb 0.70 0.07 -0.18 0.00 1.72 0.00 0.00 39.33 41.64 1x5t h ASP 24 CO -0.40 -0.10 0.44 0.41 -2.88 0.00 0.00 179.24 176.71 1x5t n THR 25 N -5.18 -0.42 0.54 2.25 -1.04 0.64 0.19 114.28 111.25 1x5t n THR 25 Ca -0.09 2.05 0.11 0.00 -2.04 0.00 0.00 64.05 64.08 1x5t n THR 25 Cb 0.18 -3.27 -0.07 0.00 -1.82 0.00 0.00 70.33 65.36 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 -5.29 0.13 0.14 -1.42 3.01 -0.57 -4.20 117.46 109.26 1x5t n PHE 26 Ca 0.35 0.04 0.04 0.00 1.01 0.00 0.00 57.45 58.89 1x5t n PHE 26 Cb 1.19 -0.34 0.45 0.00 -0.01 0.00 0.00 39.48 40.77 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 0.18 -0.72 4.37 0.87 0.73 -2.59 113.55 116.39 1x5t h SER 27 Ca 0.00 -0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1x5t h SER 27 Cb 0.74 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 1x5t h SER 27 CO 0.00 0.29 0.39 0.00 -0.53 0.00 0.00 176.83 176.98 1x5t h ALA 28 N 1.73 0.99 0.19 6.23 0.00 -1.57 -3.20 119.26 123.64 1x5t h ALA 28 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x5t h ALA 28 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x5t h ALA 28 CO 0.01 0.04 -0.09 0.74 0.00 0.00 0.00 179.25 179.95 1x5t h PHE 29 N 0.69 -0.23 -2.31 0.00 -1.00 -1.73 -3.49 116.94 108.87 1x5t h PHE 29 Ca 0.34 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1x5t h PHE 29 Cb 0.28 0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1x5t h PHE 29 CO -0.08 -0.14 0.00 0.41 -1.61 0.00 0.00 178.31 176.88 1x5t n GLY 30 N 0.19 5.13 3.50 -1.45 0.00 -1.14 -5.01 105.19 106.42 1x5t n GLY 30 Ca -0.03 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.93 4.22 0.19 1.61 1.01 -1.26 -4.21 120.40 121.03 1x5t s VAL 31 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1x5t s VAL 31 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 1x5t s VAL 31 CO 0.00 0.43 0.98 -0.63 0.00 0.00 0.00 175.10 175.88 1x5t s ILE 32 N 0.84 4.14 0.10 2.22 1.01 -1.26 -1.53 121.20 126.72 1x5t s ILE 32 Ca 0.02 1.98 -0.17 0.00 0.00 0.00 0.00 60.65 62.47 1x5t s ILE 32 Cb -0.14 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.01 1x5t s ILE 32 CO 0.02 0.40 1.53 -0.07 0.00 0.00 0.00 174.94 176.81 1x5t h LEU 33 N 4.73 0.56 -7.14 2.97 3.38 -1.75 -3.46 115.31 114.59 1x5t h LEU 33 Ca -0.44 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.16 1x5t h LEU 33 Cb 1.21 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 1x5t h LEU 33 CO 0.70 0.75 0.10 -1.10 0.09 0.00 0.00 178.44 178.98 1x5t s GLN 34 N -4.92 1.16 0.05 1.13 -0.21 -1.26 -4.96 119.66 110.66 1x5t s GLN 34 Ca -0.13 -0.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.52 1x5t s GLN 34 Cb 0.08 0.53 -0.15 0.00 1.00 0.00 0.00 33.01 34.47 1x5t s GLN 34 CO 0.77 -0.47 0.71 2.41 -2.12 0.00 0.00 175.29 176.59 1x5t n THR 35 N -0.11 0.53 -1.81 -0.19 -1.04 -1.26 -4.80 114.28 105.60 1x5t n THR 35 Ca -0.17 -0.13 -0.33 0.00 -2.04 0.00 0.00 64.05 61.37 1x5t n THR 35 Cb 0.63 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.18 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 -0.27 2.86 -0.04 -2.82 0.04 -1.26 -4.99 135.00 128.53 1x5t s PRO 36 Ca 0.66 1.41 0.03 0.00 0.04 0.00 0.00 61.00 63.14 1x5t s PRO 36 Cb -0.93 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 1x5t s PRO 36 CO 0.45 -1.20 -0.11 0.15 0.04 0.00 0.00 177.00 176.33 1x5t s LYS 37 N -4.01 2.54 -0.12 4.56 1.02 -0.67 -4.90 119.74 118.17 1x5t s LYS 37 Ca 0.68 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 56.00 1x5t s LYS 37 Cb -0.21 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1x5t s LYS 37 CO 0.40 0.63 -0.16 0.42 -0.92 0.00 0.00 175.35 175.72 1x5t s ILE 38 N -0.81 1.58 0.16 2.17 1.01 -1.26 -0.10 121.20 123.95 1x5t s ILE 38 Ca 0.13 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 1x5t s ILE 38 Cb -0.11 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 1x5t s ILE 38 CO 0.02 0.46 1.44 -0.04 0.00 0.00 0.00 174.94 176.81 1x5t s MET 39 N 1.01 4.29 0.02 2.79 -1.94 -1.08 -4.98 119.30 119.41 1x5t s MET 39 Ca -0.06 2.19 0.02 0.00 -1.71 0.00 0.00 55.69 56.13 1x5t s MET 39 Cb -0.15 -3.19 -0.02 0.00 2.01 0.00 0.00 34.83 33.48 1x5t s MET 39 CO -0.02 -0.46 -0.07 1.03 -0.01 0.00 0.00 175.02 175.48 1x5t s ARG 40 N 0.74 0.53 -0.29 2.03 0.52 -1.26 -1.98 118.95 119.23 1x5t s ARG 40 Ca 0.64 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 55.01 1x5t s ARG 40 Cb -0.39 -0.40 0.01 0.00 0.52 0.00 0.00 34.95 34.68 1x5t s ARG 40 CO 0.33 0.09 1.20 0.34 0.02 0.00 0.00 175.30 177.28 1x5t s ASP 41 N -1.00 6.82 0.50 0.23 -1.08 -1.12 -4.85 116.67 116.18 1x5t s ASP 41 Ca -0.04 1.21 0.29 0.00 -0.52 0.00 0.00 52.55 53.49 1x5t s ASP 41 Cb -0.07 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.06 1x5t s ASP 41 CO 0.00 -0.95 1.94 1.55 0.52 0.00 0.00 175.17 178.23 1x5t h PRO 42 N 8.61 0.00 0.27 4.34 0.13 -1.97 0.72 132.00 144.10 1x5t h PRO 42 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1x5t h PRO 42 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x5t h PRO 42 CO 1.02 0.11 -0.13 -0.44 -0.23 0.00 0.00 178.00 178.34 1x5t h ASP 43 N 0.00 -0.30 0.11 1.44 5.19 -2.00 -3.39 116.42 117.47 1x5t h ASP 43 Ca -0.00 0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.20 1x5t h ASP 43 Cb 0.58 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1x5t h ASP 43 CO 0.01 0.15 -1.10 0.71 -3.12 0.00 0.00 179.24 175.89 1x5t h THR 44 N -1.08 1.24 -0.91 0.35 1.35 -1.99 -3.49 112.91 108.38 1x5t h THR 44 Ca -0.04 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1x5t h THR 44 Cb 0.27 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1x5t h THR 44 CO 0.06 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1x5t n GLY 45 N 1.69 0.64 3.10 5.82 0.00 0.25 -5.06 105.19 111.63 1x5t n GLY 45 Ca -0.21 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.21 -0.60 1.61 3.84 -1.23 -4.94 114.94 111.41 1x5t s ASN 46 Ca 0.00 0.38 -0.36 0.00 0.21 0.00 0.00 52.86 53.08 1x5t s ASN 46 Cb 0.00 0.42 -0.17 0.00 -0.55 0.00 0.00 41.25 40.95 1x5t s ASN 46 CO 0.00 -0.11 2.34 -1.20 -2.79 0.00 0.00 177.10 175.34 1x5t n SER 47 N 2.80 1.11 -0.32 -4.21 7.64 -1.26 -2.77 113.62 116.62 1x5t n SER 47 Ca -0.14 0.37 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 1x5t n SER 47 Cb 0.58 -1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 1x5t n SER 47 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1x5t h LYS 48 N 11.64 -0.11 0.00 1.43 1.57 -1.73 -3.46 116.57 125.91 1x5t h LYS 48 Ca -0.14 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1x5t h LYS 48 Cb 1.35 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1x5t h LYS 48 CO 1.16 -0.08 0.00 0.41 -0.57 0.00 0.00 179.45 180.38 1x5t n GLY 49 N -1.35 0.50 3.58 3.86 0.00 -1.26 -5.05 105.19 105.47 1x5t n GLY 49 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 2.44 0.22 1.61 1.13 -1.26 -0.58 117.35 120.91 1x5t s TYR 50 Ca 0.00 -0.63 -0.14 0.00 -1.41 0.00 0.00 57.07 54.89 1x5t s TYR 50 Cb 0.00 -1.61 0.01 0.00 -1.10 0.00 0.00 41.96 39.26 1x5t s TYR 50 CO 0.00 0.46 0.48 0.00 -2.51 0.00 0.00 175.55 173.99 1x5t s ALA 51 N -2.72 -0.47 -0.05 9.51 0.00 0.73 -2.63 121.76 126.14 1x5t s ALA 51 Ca 0.34 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1x5t s ALA 51 Cb 0.07 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 1x5t s ALA 51 CO 0.17 -0.83 -0.23 -0.06 0.00 0.00 0.00 175.76 174.82 1x5t s PHE 52 N -3.96 2.19 -0.00 0.00 0.40 0.86 -1.84 117.98 115.63 1x5t s PHE 52 Ca 0.17 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1x5t s PHE 52 Cb -0.01 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 42.09 1x5t s PHE 52 CO 0.04 -0.17 0.00 0.42 0.70 0.00 0.00 175.22 176.21 1x5t s ILE 53 N -0.17 0.03 -0.06 0.64 1.01 -0.90 -1.67 121.20 120.08 1x5t s ILE 53 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1x5t s ILE 53 Cb -0.12 -0.06 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 1x5t s ILE 53 CO 0.03 0.03 -0.22 0.20 0.00 0.00 0.00 174.94 174.98 1x5t s ASN 54 N 0.20 3.36 0.51 3.58 -0.87 -1.26 -0.02 114.94 120.43 1x5t s ASN 54 Ca -0.02 -0.42 0.09 0.00 -1.57 0.00 0.00 52.86 50.94 1x5t s ASN 54 Cb -0.03 -0.87 0.05 0.00 -0.02 0.00 0.00 41.25 40.39 1x5t s ASN 54 CO -0.01 0.27 0.69 -0.36 -2.57 0.00 0.00 177.10 175.12 1x5t s PHE 55 N -0.27 2.05 0.11 2.20 0.40 -1.26 -2.86 117.98 118.34 1x5t s PHE 55 Ca 0.00 -0.57 -0.14 0.00 -0.60 0.00 0.00 56.93 55.63 1x5t s PHE 55 Cb -0.13 -2.30 -0.08 0.00 0.51 0.00 0.00 43.02 41.03 1x5t s PHE 55 CO 0.03 -0.83 1.42 0.00 0.70 0.00 0.00 175.22 176.54 1x5t h ALA 56 N 0.38 0.45 -4.11 5.36 0.00 -1.60 -3.41 119.26 116.33 1x5t h ALA 56 Ca -0.34 -0.43 -0.29 0.00 0.00 0.00 0.00 54.91 53.84 1x5t h ALA 56 Cb 1.28 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1x5t h ALA 56 CO 0.43 0.52 -0.27 0.43 0.00 0.00 0.00 179.25 180.36 1x5t n SER 57 N -4.18 -0.59 0.04 0.00 7.64 -1.26 -5.04 113.62 110.23 1x5t n SER 57 Ca -0.04 -2.44 -0.11 0.00 1.01 0.00 0.00 58.87 57.29 1x5t n SER 57 Cb 0.51 1.28 -0.08 0.00 -1.01 0.00 0.00 64.21 64.91 1x5t n SER 57 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1x5t h PHE 58 N 1.72 -0.17 -0.99 1.43 -1.00 -1.91 -3.17 116.94 112.84 1x5t h PHE 58 Ca -0.17 -0.00 0.26 0.00 2.81 0.00 0.00 57.97 60.87 1x5t h PHE 58 Cb 0.81 0.06 -0.18 0.00 3.61 0.00 0.00 35.95 40.24 1x5t h PHE 58 CO 0.00 0.30 -0.03 -0.44 -1.61 0.00 0.00 178.31 176.53 1x5t h ASP 59 N -0.81 -0.57 -0.62 2.17 3.32 -1.99 0.84 116.42 118.76 1x5t h ASP 59 Ca -0.02 0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1x5t h ASP 59 Cb 0.54 0.52 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1x5t h ASP 59 CO 0.03 -0.35 0.41 0.00 -1.72 0.00 0.00 179.24 177.61 1x5t h ALA 60 N 1.99 0.79 -0.44 3.45 0.00 -1.95 -2.19 119.26 120.91 1x5t h ALA 60 Ca 0.57 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.40 1x5t h ALA 60 Cb 1.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1x5t h ALA 60 CO -0.95 0.21 0.08 0.77 0.00 0.00 0.00 179.25 179.36 1x5t h SER 61 N 0.83 0.62 0.44 0.00 0.02 0.64 -3.03 113.55 113.06 1x5t h SER 61 Ca 0.23 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1x5t h SER 61 Cb -0.08 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1x5t h SER 61 CO -0.06 0.63 -0.21 -0.78 -1.14 0.00 0.00 176.83 175.28 1x5t h ASP 62 N 0.64 -0.50 -0.85 3.07 3.58 -0.39 -0.80 116.42 121.17 1x5t h ASP 62 Ca 0.14 -0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.81 1x5t h ASP 62 Cb 0.28 0.13 -0.14 0.00 1.72 0.00 0.00 39.33 41.32 1x5t h ASP 62 CO 0.00 -0.33 0.17 0.00 -2.88 0.00 0.00 179.24 176.20 1x5t h ALA 63 N -0.08 1.13 0.42 -0.78 0.00 -1.34 0.14 119.26 118.75 1x5t h ALA 63 Ca -0.06 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1x5t h ALA 63 Cb 0.48 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1x5t h ALA 63 CO 0.10 -0.45 -0.20 0.00 0.00 0.00 0.00 179.25 178.70 1x5t h ALA 64 N 1.76 -0.57 0.00 0.00 0.00 -1.45 -1.97 119.26 117.03 1x5t h ALA 64 Ca 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1x5t h ALA 64 Cb 1.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x5t h ALA 64 CO -0.66 -0.64 0.29 0.82 0.00 0.00 0.00 179.25 179.06 1x5t h ILE 65 N -0.93 0.00 0.14 0.00 2.04 -0.18 1.56 117.51 120.14 1x5t h ILE 65 Ca -0.06 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.52 1x5t h ILE 65 Cb 0.56 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1x5t h ILE 65 CO 0.10 0.00 -1.43 -0.08 0.00 0.00 0.00 178.15 176.73 1x5t h GLU 66 N 0.00 0.29 0.00 2.37 4.57 -0.53 -3.33 114.58 117.94 1x5t h GLU 66 Ca 0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1x5t h GLU 66 Cb 0.57 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1x5t h GLU 66 CO 0.00 1.24 -0.87 0.00 -1.18 0.00 0.00 179.01 178.20 1x5t n ALA 67 N -2.91 1.06 -0.08 2.92 0.00 -0.01 -4.47 120.51 117.01 1x5t n ALA 67 Ca -0.24 -0.72 0.26 0.00 0.00 0.00 0.00 53.44 52.74 1x5t n ALA 67 Cb 0.94 0.05 0.66 0.00 0.00 0.00 0.00 19.45 21.10 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 -0.87 0.00 -4.98 0.00 2.86 0.19 -3.15 114.93 108.99 1x5t h MET 68 Ca 0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.22 1x5t h MET 68 Cb 0.87 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.59 1x5t h MET 68 CO 0.00 0.00 1.19 -1.71 1.06 0.00 0.00 176.91 177.45 1x5t n ASN 69 N -3.66 1.74 0.00 1.22 2.85 -0.92 -1.65 115.26 114.84 1x5t n ASN 69 Ca 0.16 -2.57 0.00 0.00 -0.11 0.00 0.00 54.58 52.06 1x5t n ASN 69 Cb 1.02 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 40.90 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 5.30 1.78 3.51 8.20 0.00 -0.52 -4.84 105.19 118.62 1x5t n GLY 70 Ca 0.46 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.24 -2.24 1.61 1.13 -0.66 -4.43 117.38 113.03 1x5t n GLN 71 Ca 0.00 0.09 -0.41 0.00 -1.94 0.00 0.00 57.00 54.73 1x5t n GLN 71 Cb 0.00 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 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 -0.05 2.09 0.60 1.08 5.04 -1.26 -2.87 117.35 121.98 1x5t s TYR 72 Ca 0.86 0.59 0.04 0.00 -2.44 0.00 0.00 57.07 56.12 1x5t s TYR 72 Cb -1.16 -4.27 0.08 0.00 0.35 0.00 0.00 41.96 36.95 1x5t s TYR 72 CO 0.55 -2.22 0.82 -1.17 -1.34 0.00 0.00 175.55 172.19 1x5t s LEU 73 N 6.69 3.18 -0.43 6.97 2.96 -0.70 -4.86 118.68 132.49 1x5t s LEU 73 Ca 0.62 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1x5t s LEU 73 Cb -0.14 -2.18 -0.14 0.00 0.50 0.00 0.00 46.19 44.24 1x5t s LEU 73 CO 0.27 -1.39 0.97 0.00 -1.32 0.00 0.00 176.35 174.87 1x5t n ASN 75 N 2.69 0.68 -3.21 0.00 5.15 -1.26 -4.62 115.26 114.70 1x5t n ASN 75 Ca 0.29 -1.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.32 1x5t n ASN 75 Cb 0.05 -1.24 -0.02 0.00 -0.53 0.00 0.00 39.78 38.04 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1x5t s ARG 76 N -6.40 0.25 -0.42 1.20 0.52 0.20 -4.99 118.95 109.29 1x5t s ARG 76 Ca 0.02 0.49 -0.28 0.00 -0.52 0.00 0.00 55.73 55.44 1x5t s ARG 76 Cb -0.01 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.72 1x5t s ARG 76 CO 0.78 -0.22 1.74 -1.25 0.02 0.00 0.00 175.30 176.38 1x5t s PRO 77 N 2.79 3.18 0.49 3.54 0.04 -1.26 -1.72 135.00 142.06 1x5t s PRO 77 Ca 0.01 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1x5t s PRO 77 Cb -0.09 -4.22 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 1x5t s PRO 77 CO -0.14 -2.05 0.76 0.96 0.04 0.00 0.00 177.00 176.58 1x5t s ILE 78 N 7.23 4.19 0.14 0.56 -4.36 -1.14 -4.74 121.20 123.08 1x5t s ILE 78 Ca 0.73 -0.17 0.04 0.00 -0.26 0.00 0.00 60.65 60.99 1x5t s ILE 78 Cb -0.18 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 1x5t s ILE 78 CO 0.30 -0.51 -0.10 0.28 0.24 0.00 0.00 174.94 175.14 1x5t s THR 79 N -2.72 1.13 -0.05 8.37 -1.32 -1.13 -1.45 115.64 118.47 1x5t s THR 79 Ca 0.49 -2.03 -0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1x5t s THR 79 Cb -0.10 -1.81 0.03 0.00 -1.51 0.00 0.00 72.50 69.10 1x5t s THR 79 CO 0.42 -0.75 -0.00 -0.69 -2.21 0.00 0.00 174.62 171.39 1x5t s VAL 80 N -3.31 0.31 -0.13 5.08 1.01 -1.26 -3.11 120.40 118.98 1x5t s VAL 80 Ca 0.16 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1x5t s VAL 80 Cb 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 36.02 1x5t s VAL 80 CO 0.00 0.21 0.33 -0.94 0.00 0.00 0.00 175.10 174.71 1x5t s SER 81 N 1.48 -0.37 -0.24 3.32 1.04 -0.85 -4.73 113.70 113.34 1x5t s SER 81 Ca -0.03 0.70 -0.41 0.00 0.48 0.00 0.00 55.95 56.69 1x5t s SER 81 Cb -0.13 0.64 -0.17 0.00 0.10 0.00 0.00 66.02 66.47 1x5t s SER 81 CO -0.03 -0.15 1.63 -1.22 0.98 0.00 0.00 173.24 174.46 1x5t n TYR 82 N 3.55 1.87 -1.13 5.02 4.01 -1.26 -1.20 117.16 128.01 1x5t n TYR 82 Ca -0.18 0.67 -0.34 0.00 -0.16 0.00 0.00 57.90 57.88 1x5t n TYR 82 Cb 0.56 -2.39 -0.03 0.00 -0.31 0.00 0.00 39.34 37.17 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t n ALA 83 N 4.57 5.21 -3.58 -0.72 0.00 -1.26 -4.76 120.51 119.98 1x5t n ALA 83 Ca 0.26 -2.97 -0.07 0.00 0.00 0.00 0.00 53.44 50.66 1x5t n ALA 83 Cb 0.11 -3.32 -0.04 0.00 0.00 0.00 0.00 19.45 16.20 1x5t n ALA 83 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1x5t s PHE 84 N 3.44 -0.24 -0.53 0.00 5.36 -1.26 -4.92 117.98 119.82 1x5t s PHE 84 Ca 0.52 0.31 -0.16 0.00 -0.96 0.00 0.00 56.93 56.64 1x5t s PHE 84 Cb 0.14 0.49 0.12 0.00 -0.34 0.00 0.00 43.02 43.43 1x5t s PHE 84 CO -0.02 -0.29 0.48 0.21 -1.46 0.00 0.00 175.22 174.14 1x5t s LYS 85 N -1.83 2.98 -0.19 10.12 2.47 -1.26 -5.05 119.74 126.97 1x5t s LYS 85 Ca 0.04 -1.65 -0.10 0.00 -1.56 0.00 0.00 55.97 52.70 1x5t s LYS 85 Cb -0.01 -4.26 -0.05 0.00 -1.46 0.00 0.00 37.83 32.05 1x5t s LYS 85 CO -0.04 -1.28 0.15 0.15 0.16 0.00 0.00 175.35 174.49 1x5t s LYS 86 N 1.60 4.16 0.28 4.03 1.02 -1.26 -5.10 119.74 124.47 1x5t s LYS 86 Ca 0.03 -0.19 0.11 0.00 0.02 0.00 0.00 55.97 55.94 1x5t s LYS 86 Cb -0.29 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1x5t s LYS 86 CO 0.04 0.32 -0.12 0.16 -0.92 0.00 0.00 175.35 174.83 1x5t s ASP 87 N 0.29 3.97 -0.12 2.83 -4.77 -1.26 -5.14 116.67 112.48 1x5t s ASP 87 Ca 0.09 -0.89 0.01 0.00 -3.30 0.00 0.00 52.55 48.46 1x5t s ASP 87 Cb -0.11 -0.51 0.02 0.00 -1.09 0.00 0.00 42.92 41.23 1x5t s ASP 87 CO -0.01 0.01 -0.13 -0.44 0.70 0.00 0.00 175.17 175.29 1x5t s SER 88 N -3.58 2.40 -0.12 2.11 0.01 -1.26 -5.11 113.70 108.15 1x5t s SER 88 Ca 0.31 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1x5t s SER 88 Cb -0.05 -1.05 0.03 0.00 0.21 0.00 0.00 66.02 65.17 1x5t s SER 88 CO 0.17 -0.03 -0.04 -0.75 0.41 0.00 0.00 173.24 173.00 1x5t s LYS 89 N 1.23 1.20 0.00 12.44 2.20 -1.26 -5.10 119.74 130.45 1x5t s LYS 89 Ca -0.02 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 1x5t s LYS 89 Cb -0.14 -1.59 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 1x5t s LYS 89 CO -0.05 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1x5t n GLY 90 N 4.99 3.41 3.44 5.54 0.00 -1.26 -5.15 105.19 116.16 1x5t n GLY 90 Ca -0.11 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.22 -0.66 1.61 0.15 -1.26 -5.09 113.70 107.23 1x5t s SER 91 Ca 0.00 1.28 0.06 0.00 0.70 0.00 0.00 55.95 57.98 1x5t s SER 91 Cb 0.00 2.23 0.21 0.00 -1.71 0.00 0.00 66.02 66.75 1x5t s SER 91 CO 0.00 -0.24 0.61 0.61 1.20 0.00 0.00 173.24 175.42 1x5t n GLY 92 N 5.44 4.31 3.77 9.45 0.00 -1.26 -5.09 105.19 121.81 1x5t n GLY 92 Ca -0.07 -2.61 -0.37 0.00 0.00 0.00 0.00 46.02 42.96 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 -1.89 3.76 -0.06 1.61 0.04 -1.26 -5.04 135.00 132.16 1x5t s PRO 93 Ca 0.32 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1x5t s PRO 93 Cb 0.06 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1x5t s PRO 93 CO -0.10 -0.55 0.17 -1.54 0.04 0.00 0.00 177.00 175.02 1x5t s SER 94 N -1.36 6.39 0.23 6.66 1.04 -1.26 -5.00 113.70 120.39 1x5t s SER 94 Ca 0.64 0.42 -0.07 0.00 0.48 0.00 0.00 55.95 57.42 1x5t s SER 94 Cb -0.28 -2.04 0.34 0.00 0.10 0.00 0.00 66.02 64.13 1x5t s SER 94 CO 0.35 0.33 1.78 0.77 0.98 0.00 0.00 173.24 177.45 1x5t h SER 95 N 4.37 0.48 0.00 7.02 4.64 -2.07 -3.58 113.55 124.41 1x5t h SER 95 Ca -0.52 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1x5t h SER 95 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1x5t h SER 95 CO 0.64 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.48