#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 6.18 -0.14 1.61 1.04 -1.26 -4.76 113.70 116.36 1x5t s SER 2 Ca 0.00 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 1x5t s SER 2 Cb 0.00 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 1x5t s SER 2 CO 0.00 -0.59 -0.08 -0.94 0.98 0.00 0.00 173.24 172.61 1x5t s SER 3 N 1.92 4.41 0.19 7.02 1.04 -1.26 -5.05 113.70 121.98 1x5t s SER 3 Ca 0.10 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1x5t s SER 3 Cb -0.18 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1x5t s SER 3 CO 0.12 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1x5t n GLY 4 N 3.55 0.08 2.77 7.32 0.00 -1.26 -4.48 105.19 113.17 1x5t n GLY 4 Ca -0.18 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1x5t n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5t s SER 5 N -4.00 3.83 -0.78 1.61 0.01 -1.26 -5.02 113.70 108.09 1x5t s SER 5 Ca 0.00 -3.15 0.02 0.00 1.31 0.00 0.00 55.95 54.13 1x5t s SER 5 Cb 0.00 -1.25 0.19 0.00 0.21 0.00 0.00 66.02 65.17 1x5t s SER 5 CO 0.00 -0.19 0.61 -0.44 0.41 0.00 0.00 173.24 173.63 1x5t s SER 6 N -0.38 5.32 0.39 2.44 0.01 -1.26 -5.08 113.70 115.15 1x5t s SER 6 Ca 0.22 -3.77 -0.05 0.00 1.31 0.00 0.00 55.95 53.67 1x5t s SER 6 Cb -0.14 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1x5t s SER 6 CO -0.08 -0.13 0.67 -0.83 0.41 0.00 0.00 173.24 173.28 1x5t s GLY 7 N -0.84 1.61 0.05 3.44 0.00 -1.26 -4.16 107.32 106.15 1x5t s GLY 7 Ca 0.26 -0.57 0.09 0.00 0.00 0.00 0.00 44.72 44.50 1x5t s GLY 7 CO -0.14 -0.44 -0.26 -0.26 0.00 0.00 0.00 173.10 172.00 1x5t s ILE 8 N -2.43 2.09 -0.13 0.90 -4.36 0.08 -3.57 121.20 113.78 1x5t s ILE 8 Ca 0.45 -1.38 -0.07 0.00 -0.26 0.00 0.00 60.65 59.40 1x5t s ILE 8 Cb -0.10 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 1x5t s ILE 8 CO 0.37 0.34 0.11 0.12 0.24 0.00 0.00 174.94 176.13 1x5t s PHE 9 N -0.81 3.49 -0.07 1.37 5.36 -0.52 -2.18 117.98 124.62 1x5t s PHE 9 Ca 0.11 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1x5t s PHE 9 Cb -0.10 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.65 1x5t s PHE 9 CO 0.02 0.61 -0.06 0.42 -1.46 0.00 0.00 175.22 174.75 1x5t s ILE 10 N -0.75 0.75 0.37 3.12 1.01 -0.75 -1.77 121.20 123.18 1x5t s ILE 10 Ca 0.13 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.67 1x5t s ILE 10 Cb -0.12 -0.77 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 1x5t s ILE 10 CO 0.03 0.30 -0.02 -0.83 0.00 0.00 0.00 174.94 174.42 1x5t s GLY 11 N 1.30 2.29 -0.67 6.18 0.00 -1.09 -0.47 107.32 114.86 1x5t s GLY 11 Ca -0.04 -2.18 -0.04 0.00 0.00 0.00 0.00 44.72 42.47 1x5t s GLY 11 CO -0.03 -2.01 0.58 -2.01 0.00 0.00 0.00 173.10 169.63 1x5t n ASN 12 N -0.84 -3.89 -4.73 1.64 5.15 -0.42 -2.01 115.26 110.15 1x5t n ASN 12 Ca -0.05 -0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.28 1x5t n ASN 12 Cb 0.66 -2.78 -0.06 0.00 -0.53 0.00 0.00 39.78 37.06 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 -4.17 4.29 0.37 1.20 1.43 -0.37 -4.00 118.68 117.44 1x5t s LEU 13 Ca 0.25 0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 1x5t s LEU 13 Cb -0.11 -2.70 -0.11 0.00 0.03 0.00 0.00 46.19 43.29 1x5t s LEU 13 CO 0.37 0.02 1.44 -0.67 0.23 0.00 0.00 176.35 177.73 1x5t n ASP 14 N 3.56 3.51 0.00 2.29 2.03 -1.26 -4.71 116.55 121.97 1x5t n ASP 14 Ca -0.07 1.22 0.07 0.00 0.52 0.00 0.00 54.79 56.52 1x5t n ASP 14 Cb 0.52 -1.59 0.32 0.00 -0.72 0.00 0.00 41.12 39.65 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 0.43 0.06 0.07 -0.67 -0.04 -1.26 -2.05 135.00 131.53 1x5t n PRO 15 Ca 0.02 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1x5t n PRO 15 Cb 0.38 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.49 1x5t n PRO 15 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x5t h GLU 16 N 0.00 0.00 -6.99 0.54 4.39 -1.96 -3.47 114.58 107.09 1x5t h GLU 16 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1x5t h GLU 16 Cb 0.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1x5t h GLU 16 CO 0.00 0.00 0.40 0.42 -1.16 0.00 0.00 179.01 178.67 1x5t s ILE 17 N -3.20 3.82 0.24 3.13 1.01 -0.87 -5.07 121.20 120.26 1x5t s ILE 17 Ca 0.05 1.31 0.11 0.00 0.00 0.00 0.00 60.65 62.13 1x5t s ILE 17 Cb 0.13 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1x5t s ILE 17 CO 0.73 -0.07 -0.20 -1.81 0.00 0.00 0.00 174.94 173.59 1x5t s ASP 18 N -1.71 3.37 0.32 3.58 1.01 -1.26 -5.01 116.67 116.97 1x5t s ASP 18 Ca 0.60 -0.98 0.09 0.00 0.71 0.00 0.00 52.55 52.97 1x5t s ASP 18 Cb -0.19 -0.26 0.91 0.00 1.01 0.00 0.00 42.92 44.38 1x5t s ASP 18 CO 0.24 0.03 1.67 -0.33 0.21 0.00 0.00 175.17 176.99 1x5t h GLU 19 N 2.58 0.31 0.34 8.23 5.08 -1.97 -1.60 114.58 127.54 1x5t h GLU 19 Ca -0.41 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1x5t h GLU 19 Cb 1.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1x5t h GLU 19 CO 0.57 0.20 -0.30 0.87 -1.00 0.00 0.00 179.01 179.35 1x5t h LYS 20 N 0.32 -0.60 -0.21 2.33 1.79 -1.95 -1.99 116.57 116.25 1x5t h LYS 20 Ca 0.65 0.04 0.02 0.00 -2.18 0.00 0.00 60.65 59.18 1x5t h LYS 20 Cb 1.38 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 32.14 1x5t h LYS 20 CO -0.60 -0.40 -0.15 1.25 -1.08 0.00 0.00 179.45 178.47 1x5t h LEU 21 N -0.63 -0.53 -0.98 2.94 5.85 -1.71 -0.56 115.31 119.70 1x5t h LEU 21 Ca -0.04 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.91 1x5t h LEU 21 Cb 0.53 0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.63 1x5t h LEU 21 CO -0.02 -0.07 -0.38 0.18 -0.34 0.00 0.00 178.44 177.81 1x5t n LEU 22 N -3.52 -0.63 -0.30 2.25 4.77 -1.04 0.01 117.00 118.54 1x5t n LEU 22 Ca 0.00 1.71 -0.00 0.00 -0.03 0.00 0.00 56.01 57.69 1x5t n LEU 22 Cb 0.07 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1x5t n LEU 22 CO -0.03 -1.54 0.64 0.22 -1.33 0.00 0.00 177.39 175.35 1x5t h TYR 23 N 0.00 -0.79 0.23 -1.77 5.03 -0.32 0.93 116.97 120.29 1x5t h TYR 23 Ca 0.35 0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.73 1x5t h TYR 23 Cb 0.59 0.47 0.00 0.00 1.55 0.00 0.00 36.73 39.34 1x5t h TYR 23 CO -0.86 -0.39 -0.11 0.22 -1.32 0.00 0.00 178.16 175.71 1x5t h ASP 24 N -0.04 -0.26 -1.44 -2.11 1.82 -0.01 0.24 116.42 114.62 1x5t h ASP 24 Ca 0.35 -0.25 0.48 0.00 -0.39 0.00 0.00 57.03 57.21 1x5t h ASP 24 Cb 0.60 0.07 -0.13 0.00 0.68 0.00 0.00 39.33 40.55 1x5t h ASP 24 CO -0.87 0.25 0.94 0.74 -1.61 0.00 0.00 179.24 178.69 1x5t h THR 25 N -0.91 0.04 0.06 2.25 2.02 0.25 0.43 112.91 117.05 1x5t h THR 25 Ca -0.03 -0.01 -0.36 0.00 0.77 0.00 0.00 66.41 66.78 1x5t h THR 25 Cb 0.50 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1x5t h THR 25 CO 0.05 0.00 -2.11 0.49 0.37 0.00 0.00 175.52 174.33 1x5t n PHE 26 N -4.62 0.80 0.08 3.16 3.01 0.26 -4.14 117.46 116.01 1x5t n PHE 26 Ca 0.40 0.19 0.17 0.00 1.01 0.00 0.00 57.45 59.22 1x5t n PHE 26 Cb 1.59 -1.11 0.43 0.00 -0.01 0.00 0.00 39.48 40.37 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 0.04 0.00 -0.71 4.37 0.87 0.34 0.60 113.55 119.05 1x5t h SER 27 Ca -0.45 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1x5t h SER 27 Cb 2.01 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.94 1x5t h SER 27 CO 0.04 0.00 0.39 0.00 -0.53 0.00 0.00 176.83 176.73 1x5t h ALA 28 N 0.68 0.91 0.32 6.23 0.00 -1.63 -3.27 119.26 122.51 1x5t h ALA 28 Ca 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1x5t h ALA 28 Cb 1.98 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1x5t h ALA 28 CO -0.00 0.42 -0.15 0.74 0.00 0.00 0.00 179.25 180.26 1x5t h PHE 29 N 0.98 -0.40 -0.89 0.00 0.04 -0.06 -3.49 116.94 113.11 1x5t h PHE 29 Ca 0.25 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1x5t h PHE 29 Cb 0.03 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1x5t h PHE 29 CO -0.00 -0.25 0.00 0.41 -0.60 0.00 0.00 178.31 177.87 1x5t n GLY 30 N 0.43 5.45 3.41 -1.45 0.00 -1.20 -4.81 105.19 107.01 1x5t n GLY 30 Ca -0.05 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.22 3.62 0.21 1.61 1.01 -1.26 -4.25 120.40 121.12 1x5t s VAL 31 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1x5t s VAL 31 Cb 0.00 -2.61 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 1x5t s VAL 31 CO 0.00 0.46 0.92 -0.63 0.00 0.00 0.00 175.10 175.84 1x5t s ILE 32 N 0.90 4.18 0.01 2.22 1.01 -1.26 0.16 121.20 128.41 1x5t s ILE 32 Ca -0.00 2.03 -0.25 0.00 0.00 0.00 0.00 60.65 62.43 1x5t s ILE 32 Cb -0.15 -4.30 -0.19 0.00 0.01 0.00 0.00 42.46 37.84 1x5t s ILE 32 CO 0.01 0.48 1.38 -0.07 0.00 0.00 0.00 174.94 176.74 1x5t h LEU 33 N 4.39 0.02 -7.46 2.97 3.38 -1.71 -3.45 115.31 113.46 1x5t h LEU 33 Ca -0.45 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.11 1x5t h LEU 33 Cb 1.20 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 1x5t h LEU 33 CO 0.68 0.39 -0.00 0.00 0.09 0.00 0.00 178.44 179.60 1x5t s GLN 34 N -4.70 1.21 0.11 1.13 -2.07 -1.26 -5.08 119.66 109.00 1x5t s GLN 34 Ca -0.15 -0.75 -0.26 0.00 -1.82 0.00 0.00 55.36 52.38 1x5t s GLN 34 Cb 0.03 0.50 -0.15 0.00 -1.09 0.00 0.00 33.01 32.30 1x5t s GLN 34 CO 0.68 -0.50 0.58 2.41 -1.32 0.00 0.00 175.29 177.14 1x5t n THR 35 N -0.29 1.10 -2.07 3.63 -1.04 -1.26 -4.80 114.28 109.55 1x5t n THR 35 Ca -0.14 -0.28 -0.34 0.00 -2.04 0.00 0.00 64.05 61.25 1x5t n THR 35 Cb 0.63 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.16 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 -0.55 3.14 -0.14 -2.82 0.04 -1.26 -4.98 135.00 128.43 1x5t s PRO 36 Ca 0.60 1.53 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 1x5t s PRO 36 Cb -0.86 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1x5t s PRO 36 CO 0.47 -1.00 0.08 0.15 0.04 0.00 0.00 177.00 176.73 1x5t s LYS 37 N -3.59 3.57 -0.06 4.56 -0.14 -0.78 -4.93 119.74 118.37 1x5t s LYS 37 Ca 0.71 -0.28 0.05 0.00 -1.36 0.00 0.00 55.97 55.09 1x5t s LYS 37 Cb -0.23 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 32.80 1x5t s LYS 37 CO 0.32 0.55 -0.22 0.42 -0.76 0.00 0.00 175.35 175.66 1x5t s ILE 38 N -0.40 1.84 0.17 2.17 1.01 -1.26 -1.01 121.20 123.71 1x5t s ILE 38 Ca 0.10 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1x5t s ILE 38 Cb -0.12 -1.57 -0.07 0.00 0.01 0.00 0.00 42.46 40.71 1x5t s ILE 38 CO 0.02 0.52 1.00 -0.04 0.00 0.00 0.00 174.94 176.44 1x5t s MET 39 N -0.05 4.70 -0.03 2.79 -1.94 -1.12 -4.98 119.30 118.67 1x5t s MET 39 Ca -0.05 1.56 0.03 0.00 -1.71 0.00 0.00 55.69 55.51 1x5t s MET 39 Cb -0.13 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.39 1x5t s MET 39 CO 0.04 0.24 -0.10 1.03 -0.01 0.00 0.00 175.02 176.22 1x5t s ARG 40 N -0.44 1.09 0.07 2.03 1.81 -1.26 0.50 118.95 122.75 1x5t s ARG 40 Ca 0.46 -0.33 -0.31 0.00 -1.72 0.00 0.00 55.73 53.84 1x5t s ARG 40 Cb -0.26 -1.00 -0.07 0.00 -0.45 0.00 0.00 34.95 33.17 1x5t s ARG 40 CO 0.32 0.11 1.37 0.34 -0.68 0.00 0.00 175.30 176.76 1x5t s ASP 41 N 0.27 6.87 0.07 0.23 -1.08 -0.67 -4.82 116.67 117.53 1x5t s ASP 41 Ca -0.05 2.22 -0.18 0.00 -0.52 0.00 0.00 52.55 54.03 1x5t s ASP 41 Cb -0.10 -2.58 -0.12 0.00 -1.46 0.00 0.00 42.92 38.67 1x5t s ASP 41 CO 0.01 -0.65 1.38 1.55 0.52 0.00 0.00 175.17 177.98 1x5t h PRO 42 N 7.12 0.51 0.38 4.34 0.13 -1.98 -0.64 132.00 141.87 1x5t h PRO 42 Ca -0.41 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.44 1x5t h PRO 42 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1x5t h PRO 42 CO 0.87 0.85 -0.22 -0.44 -0.23 0.00 0.00 178.00 178.82 1x5t h ASP 43 N 0.19 -0.55 0.00 1.44 5.19 -2.01 -3.39 116.42 117.29 1x5t h ASP 43 Ca 0.03 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1x5t h ASP 43 Cb 0.75 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1x5t h ASP 43 CO 0.05 -0.35 0.00 0.35 -3.12 0.00 0.00 179.24 176.17 1x5t n THR 44 N -3.67 0.00 0.00 0.35 -2.24 -1.25 -5.05 114.28 102.42 1x5t n THR 44 Ca -0.07 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1x5t n THR 44 Cb 0.23 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 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 1.79 0.72 3.06 3.38 0.00 -0.25 -5.03 105.19 108.86 1x5t n GLY 45 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 1x5t n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5t s ASN 46 N 0.00 0.20 -0.50 1.61 -0.87 -1.25 -4.87 114.94 109.25 1x5t s ASN 46 Ca 0.00 -0.50 -0.36 0.00 -1.57 0.00 0.00 52.86 50.44 1x5t s ASN 46 Cb 0.00 0.17 -0.14 0.00 -0.02 0.00 0.00 41.25 41.26 1x5t s ASN 46 CO 0.00 -0.41 2.29 -0.24 -2.57 0.00 0.00 177.10 176.17 1x5t n SER 47 N 1.17 1.53 -0.31 -1.22 2.88 -1.26 -1.67 113.62 114.74 1x5t n SER 47 Ca -0.21 0.34 0.19 0.00 -1.33 0.00 0.00 58.87 57.86 1x5t n SER 47 Cb 0.57 -1.16 0.36 0.00 -0.75 0.00 0.00 64.21 63.23 1x5t n SER 47 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x5t n LYS 48 N 8.18 -0.07 0.00 -1.46 4.76 0.18 -4.74 118.16 125.01 1x5t n LYS 48 Ca 0.48 1.33 0.00 0.00 -2.87 0.00 0.00 58.31 57.25 1x5t n LYS 48 Cb 0.17 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1x5t n LYS 48 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5t n GLY 49 N -1.38 0.90 3.08 0.72 0.00 -1.26 -5.03 105.19 102.23 1x5t n GLY 49 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.51 1.01 0.26 1.61 1.13 -1.26 -1.24 117.35 118.35 1x5t s TYR 50 Ca 0.00 -0.28 0.03 0.00 -1.41 0.00 0.00 57.07 55.41 1x5t s TYR 50 Cb 0.00 -0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 40.18 1x5t s TYR 50 CO 0.00 -0.00 0.05 0.00 -2.51 0.00 0.00 175.55 173.08 1x5t s ALA 51 N -0.61 1.90 -0.06 9.51 0.00 0.37 -2.80 121.76 130.08 1x5t s ALA 51 Ca 0.01 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.14 1x5t s ALA 51 Cb -0.06 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1x5t s ALA 51 CO 0.00 -0.34 -0.16 -0.06 0.00 0.00 0.00 175.76 175.20 1x5t s PHE 52 N -3.51 1.74 -0.02 0.00 0.40 -0.18 -1.81 117.98 114.60 1x5t s PHE 52 Ca 0.33 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 1x5t s PHE 52 Cb 0.07 -1.20 -0.00 0.00 0.51 0.00 0.00 43.02 42.40 1x5t s PHE 52 CO 0.12 -0.24 -0.10 0.42 0.70 0.00 0.00 175.22 176.11 1x5t s ILE 53 N 0.32 0.85 -0.26 0.64 1.01 -0.93 -1.87 121.20 120.96 1x5t s ILE 53 Ca -0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1x5t s ILE 53 Cb -0.14 -0.74 0.03 0.00 0.01 0.00 0.00 42.46 41.62 1x5t s ILE 53 CO 0.04 0.25 -0.04 0.20 0.00 0.00 0.00 174.94 175.39 1x5t s ASN 54 N 0.04 4.46 0.73 3.58 -0.87 -1.26 -0.74 114.94 120.87 1x5t s ASN 54 Ca -0.01 -0.88 -0.12 0.00 -1.57 0.00 0.00 52.86 50.29 1x5t s ASN 54 Cb -0.07 -1.69 0.03 0.00 -0.02 0.00 0.00 41.25 39.49 1x5t s ASN 54 CO 0.00 -0.14 1.11 -0.36 -2.57 0.00 0.00 177.10 175.14 1x5t s PHE 55 N 1.34 3.21 -0.21 2.20 0.08 -1.26 -2.28 117.98 121.06 1x5t s PHE 55 Ca 0.00 1.02 0.22 0.00 0.12 0.00 0.00 56.93 58.29 1x5t s PHE 55 Cb -0.17 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 1x5t s PHE 55 CO -0.03 -1.34 0.98 0.00 -0.10 0.00 0.00 175.22 174.72 1x5t n ALA 56 N -3.11 2.52 -3.35 5.36 0.00 0.12 -4.59 120.51 117.47 1x5t n ALA 56 Ca 0.07 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1x5t n ALA 56 Cb 0.58 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 1x5t n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5t s SER 57 N -5.30 1.05 0.42 0.00 0.15 -1.26 -4.26 113.70 104.50 1x5t s SER 57 Ca -0.01 -0.16 0.20 0.00 0.70 0.00 0.00 55.95 56.68 1x5t s SER 57 Cb 0.10 -0.40 1.15 0.00 -1.71 0.00 0.00 66.02 65.16 1x5t s SER 57 CO 0.80 0.00 1.81 0.15 1.20 0.00 0.00 173.24 177.20 1x5t h PHE 58 N 6.79 0.53 -0.71 3.44 3.57 -1.93 0.94 116.94 129.58 1x5t h PHE 58 Ca -0.35 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.25 1x5t h PHE 58 Cb 1.17 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 1x5t h PHE 58 CO 0.47 0.08 0.36 0.22 -2.23 0.00 0.00 178.31 177.21 1x5t h ASP 59 N 0.35 0.48 -0.33 0.41 1.82 -2.00 0.24 116.42 117.39 1x5t h ASP 59 Ca 0.54 0.06 0.10 0.00 -0.39 0.00 0.00 57.03 57.33 1x5t h ASP 59 Cb 1.46 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.43 1x5t h ASP 59 CO -0.22 0.28 0.24 0.00 -1.61 0.00 0.00 179.24 177.94 1x5t h ALA 60 N 1.42 2.31 -0.01 -0.78 0.00 -1.12 -1.10 119.26 119.98 1x5t h ALA 60 Ca 0.34 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 1x5t h ALA 60 Cb 0.34 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.17 1x5t h ALA 60 CO -0.26 -0.42 -0.83 0.77 0.00 0.00 0.00 179.25 178.52 1x5t h SER 61 N 0.00 0.74 0.51 0.00 0.02 -0.99 -3.02 113.55 110.81 1x5t h SER 61 Ca 0.16 -0.74 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 1x5t h SER 61 Cb 0.64 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1x5t h SER 61 CO -0.00 1.38 -0.24 -2.24 -1.14 0.00 0.00 176.83 174.59 1x5t h ASP 62 N 0.17 -0.58 -0.55 3.07 3.04 -0.73 -1.16 116.42 119.68 1x5t h ASP 62 Ca -0.10 -0.05 0.11 0.00 -3.24 0.00 0.00 57.03 53.75 1x5t h ASP 62 Cb 1.51 0.15 -0.11 0.00 -1.04 0.00 0.00 39.33 39.84 1x5t h ASP 62 CO 0.16 -0.30 -0.16 0.00 -2.04 0.00 0.00 179.24 176.91 1x5t h ALA 63 N -0.45 0.32 0.10 4.15 0.00 -1.37 -0.04 119.26 121.97 1x5t h ALA 63 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1x5t h ALA 63 Cb 0.59 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x5t h ALA 63 CO 0.11 -0.46 -0.05 0.00 0.00 0.00 0.00 179.25 178.86 1x5t h ALA 64 N 1.49 -1.02 -1.82 0.00 0.00 -1.49 -0.40 119.26 116.02 1x5t h ALA 64 Ca 0.26 -0.03 0.53 0.00 0.00 0.00 0.00 54.91 55.67 1x5t h ALA 64 Cb 0.43 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1x5t h ALA 64 CO -0.58 -1.01 1.32 0.82 0.00 0.00 0.00 179.25 179.80 1x5t h ILE 65 N -0.14 0.08 0.04 0.00 2.04 -1.05 1.90 117.51 120.39 1x5t h ILE 65 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1x5t h ILE 65 Cb 0.11 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1x5t h ILE 65 CO 0.02 0.00 -0.02 -0.08 0.00 0.00 0.00 178.15 178.07 1x5t h GLU 66 N 0.00 -0.06 0.00 2.37 4.57 -0.68 -3.29 114.58 117.49 1x5t h GLU 66 Ca 0.86 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 59.05 1x5t h GLU 66 Cb 3.49 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 32.09 1x5t h GLU 66 CO -0.01 0.59 -0.77 0.00 -1.18 0.00 0.00 179.01 177.64 1x5t n ALA 67 N -2.54 0.68 -0.33 2.92 0.00 0.15 -4.46 120.51 116.93 1x5t n ALA 67 Ca -0.08 -0.65 0.25 0.00 0.00 0.00 0.00 53.44 52.96 1x5t n ALA 67 Cb 0.33 0.02 0.47 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.93 0.04 -5.43 0.00 2.86 0.25 -3.28 114.93 108.43 1x5t h MET 68 Ca 0.00 -0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 1x5t h MET 68 Cb 0.77 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1x5t h MET 68 CO 0.00 0.03 1.20 -1.71 1.06 0.00 0.00 176.91 177.49 1x5t n ASN 69 N -5.32 1.74 0.00 1.22 2.85 -0.95 0.07 115.26 114.87 1x5t n ASN 69 Ca 0.32 -0.73 0.00 0.00 -0.11 0.00 0.00 54.58 54.06 1x5t n ASN 69 Cb 1.06 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.60 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 6.27 2.41 3.55 8.20 0.00 -0.73 -4.90 105.19 119.99 1x5t n GLY 70 Ca 0.45 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.99 0.91 -2.60 1.61 1.13 0.11 -4.64 117.38 112.91 1x5t n GLN 71 Ca 0.00 0.32 -0.41 0.00 -1.94 0.00 0.00 57.00 54.97 1x5t n GLN 71 Cb 0.00 -1.79 -0.03 0.00 0.11 0.00 0.00 30.24 28.53 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 -0.20 2.42 0.76 1.08 5.04 -1.26 -2.50 117.35 122.68 1x5t s TYR 72 Ca 0.75 -0.36 -0.07 0.00 -2.44 0.00 0.00 57.07 54.96 1x5t s TYR 72 Cb -0.92 -4.60 0.11 0.00 0.35 0.00 0.00 41.96 36.91 1x5t s TYR 72 CO 0.53 -1.97 1.07 -1.17 -1.34 0.00 0.00 175.55 172.66 1x5t s LEU 73 N 5.24 2.86 -0.59 6.97 2.96 -0.77 -4.80 118.68 130.56 1x5t s LEU 73 Ca 0.36 0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 1x5t s LEU 73 Cb -0.07 -2.57 -0.20 0.00 0.50 0.00 0.00 46.19 43.86 1x5t s LEU 73 CO 0.07 -1.92 1.27 0.00 -1.32 0.00 0.00 176.35 174.45 1x5t n ASN 75 N 3.34 0.42 -3.15 0.00 4.13 -1.26 -4.57 115.26 114.17 1x5t n ASN 75 Ca 0.40 -1.26 0.05 0.00 1.68 0.00 0.00 54.58 55.45 1x5t n ASN 75 Cb 0.08 -1.58 -0.01 0.00 -1.54 0.00 0.00 39.78 36.73 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 0.26 -0.63 3.52 0.52 0.17 -4.91 118.95 110.56 1x5t s ARG 76 Ca 0.16 0.39 -0.26 0.00 -0.52 0.00 0.00 55.73 55.49 1x5t s ARG 76 Cb -0.09 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 1x5t s ARG 76 CO 1.00 -0.35 1.87 -1.25 0.02 0.00 0.00 175.30 176.59 1x5t s PRO 77 N 2.93 2.62 0.62 3.54 0.04 -1.26 -1.85 135.00 141.64 1x5t s PRO 77 Ca 0.10 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 1x5t s PRO 77 Cb -0.09 -4.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.01 1x5t s PRO 77 CO -0.16 -2.77 1.10 0.96 0.04 0.00 0.00 177.00 176.17 1x5t s ILE 78 N 9.13 3.37 -0.18 0.56 -4.36 -1.04 -4.72 121.20 123.97 1x5t s ILE 78 Ca 0.67 0.68 -0.01 0.00 -0.26 0.00 0.00 60.65 61.74 1x5t s ILE 78 Cb -0.12 -3.21 0.05 0.00 1.25 0.00 0.00 42.46 40.43 1x5t s ILE 78 CO 0.20 -0.35 -0.03 0.42 0.24 0.00 0.00 174.94 175.42 1x5t s THR 79 N -2.26 0.99 0.03 8.37 -4.23 -0.85 -1.78 115.64 115.92 1x5t s THR 79 Ca 0.67 -0.68 -0.16 0.00 -1.18 0.00 0.00 61.69 60.34 1x5t s THR 79 Cb -0.20 -1.27 -0.06 0.00 1.34 0.00 0.00 72.50 72.31 1x5t s THR 79 CO 0.37 0.00 0.47 -0.69 -0.54 0.00 0.00 174.62 174.23 1x5t s VAL 80 N 1.67 4.93 -0.28 2.29 1.01 -1.26 -2.67 120.40 126.08 1x5t s VAL 80 Ca -0.01 0.95 -0.20 0.00 0.00 0.00 0.00 61.98 62.73 1x5t s VAL 80 Cb -0.16 -3.77 0.10 0.00 0.00 0.00 0.00 36.38 32.54 1x5t s VAL 80 CO -0.07 0.55 0.82 -0.44 0.00 0.00 0.00 175.10 175.96 1x5t s SER 81 N -1.13 -0.72 -0.69 3.32 0.01 -0.73 -4.75 113.70 109.02 1x5t s SER 81 Ca 0.26 1.24 -0.29 0.00 1.31 0.00 0.00 55.95 58.47 1x5t s SER 81 Cb -0.17 1.28 -0.13 0.00 0.21 0.00 0.00 66.02 67.20 1x5t s SER 81 CO 0.16 -0.20 2.52 -1.22 0.41 0.00 0.00 173.24 174.90 1x5t n TYR 82 N 3.43 1.09 -1.35 2.43 4.01 -1.26 -1.43 117.16 124.08 1x5t n TYR 82 Ca -0.17 0.24 -0.52 0.00 -0.16 0.00 0.00 57.90 57.29 1x5t n TYR 82 Cb 0.57 -2.53 -0.07 0.00 -0.31 0.00 0.00 39.34 37.01 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 13.34 -3.26 -2.59 -0.72 0.00 -1.23 -4.87 120.51 121.18 1x5t n ALA 83 Ca 0.49 0.52 -0.39 0.00 0.00 0.00 0.00 53.44 54.06 1x5t n ALA 83 Cb 0.32 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 1x5t n ALA 83 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x5t s PHE 84 N -0.15 3.64 0.25 0.00 0.08 -1.26 -4.98 117.98 115.56 1x5t s PHE 84 Ca 0.79 1.27 0.01 0.00 0.12 0.00 0.00 56.93 59.11 1x5t s PHE 84 Cb -1.10 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 1x5t s PHE 84 CO 0.52 0.20 0.21 -1.59 -0.10 0.00 0.00 175.22 174.46 1x5t s LYS 85 N 0.35 1.42 -0.36 0.44 0.00 -1.26 -5.13 119.74 115.20 1x5t s LYS 85 Ca 0.36 -1.73 -0.15 0.00 0.00 0.00 0.00 55.97 54.44 1x5t s LYS 85 Cb -0.18 0.31 -0.00 0.00 0.00 0.00 0.00 37.83 37.95 1x5t s LYS 85 CO 0.19 -0.50 0.35 0.15 0.00 0.00 0.00 175.35 175.53 1x5t s LYS 86 N -3.88 3.40 0.51 1.78 -0.14 -1.26 -5.07 119.74 115.07 1x5t s LYS 86 Ca 0.38 -0.59 0.06 0.00 -1.36 0.00 0.00 55.97 54.46 1x5t s LYS 86 Cb 0.05 -3.86 0.04 0.00 -1.68 0.00 0.00 37.83 32.38 1x5t s LYS 86 CO 0.17 -0.60 0.70 -0.51 -0.76 0.00 0.00 175.35 174.35 1x5t s ASP 87 N 1.74 5.34 0.04 2.83 1.01 -1.26 -5.13 116.67 121.23 1x5t s ASP 87 Ca 0.10 -0.40 -0.12 0.00 0.71 0.00 0.00 52.55 52.84 1x5t s ASP 87 Cb -0.17 -0.47 0.01 0.00 1.01 0.00 0.00 42.92 43.31 1x5t s ASP 87 CO 0.12 -1.07 0.27 -0.55 0.21 0.00 0.00 175.17 174.15 1x5t s SER 88 N -4.47 -0.08 -0.02 0.27 0.15 -1.26 -5.12 113.70 103.18 1x5t s SER 88 Ca 0.58 -0.23 -0.32 0.00 0.70 0.00 0.00 55.95 56.68 1x5t s SER 88 Cb -0.09 0.33 -0.11 0.00 -1.71 0.00 0.00 66.02 64.45 1x5t s SER 88 CO 0.37 -0.58 1.91 1.17 1.20 0.00 0.00 173.24 177.30 1x5t n LYS 89 N 0.66 2.51 -2.62 5.44 4.81 -1.26 -4.89 118.16 122.82 1x5t n LYS 89 Ca -0.19 0.92 -0.12 0.00 -0.87 0.00 0.00 58.31 58.05 1x5t n LYS 89 Cb 0.59 -2.82 0.03 0.00 0.02 0.00 0.00 35.03 32.85 1x5t n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5t n GLY 90 N 4.44 2.63 3.58 3.14 0.00 -1.26 -5.07 105.19 112.65 1x5t n GLY 90 Ca 0.21 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 1x5t n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5t s SER 91 N -3.32 -0.65 -0.19 1.61 1.04 -1.26 -5.18 113.70 105.76 1x5t s SER 91 Ca 0.32 1.01 -0.31 0.00 0.48 0.00 0.00 55.95 57.45 1x5t s SER 91 Cb 0.43 0.94 0.14 0.00 0.10 0.00 0.00 66.02 67.63 1x5t s SER 91 CO -0.02 -0.39 1.13 -0.83 0.98 0.00 0.00 173.24 174.11 1x5t s GLY 92 N -0.39 -0.20 0.28 7.32 0.00 -1.26 -5.15 107.32 107.92 1x5t s GLY 92 Ca -0.04 2.06 -0.29 0.00 0.00 0.00 0.00 44.72 46.45 1x5t s GLY 92 CO 0.04 0.89 1.25 2.56 0.00 0.00 0.00 173.10 177.83 1x5t s PRO 93 N -1.53 4.45 0.25 2.90 0.04 -1.26 -5.05 135.00 134.80 1x5t s PRO 93 Ca 0.04 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.23 1x5t s PRO 93 Cb -0.01 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1x5t s PRO 93 CO -0.03 -0.09 -0.06 0.45 0.04 0.00 0.00 177.00 177.31 1x5t s SER 94 N -0.38 4.31 0.19 6.66 0.15 -1.26 -5.14 113.70 118.24 1x5t s SER 94 Ca 0.50 -0.70 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 1x5t s SER 94 Cb -0.37 -0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 63.17 1x5t s SER 94 CO 0.46 0.03 0.41 -0.94 1.20 0.00 0.00 173.24 174.40 1x5t s SER 95 N -3.47 6.45 0.00 5.45 1.04 -1.26 -5.37 113.70 116.54 1x5t s SER 95 Ca 0.30 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1x5t s SER 95 Cb -0.07 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1x5t s SER 95 CO 0.18 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.98