#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 1.48 -3.23 1.61 3.41 -1.26 -4.96 113.62 110.66 1x5t n SER 2 Ca 0.00 0.24 -0.16 0.00 -0.26 0.00 0.00 58.87 58.70 1x5t n SER 2 Cb 0.00 -0.56 0.08 0.00 -0.26 0.00 0.00 64.21 63.47 1x5t n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5t n SER 3 N -3.98 -2.33 -0.22 4.04 7.64 -1.26 -4.65 113.62 112.85 1x5t n SER 3 Ca -0.18 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1x5t n SER 3 Cb 0.48 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 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 -1.13 -1.32 3.58 0.23 0.00 -1.26 -4.98 105.19 100.30 1x5t n GLY 4 Ca -0.25 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.11 6.12 -0.15 1.61 0.01 -1.26 -4.82 113.70 115.10 1x5t s SER 5 Ca 0.00 -0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.06 1x5t s SER 5 Cb 0.00 -2.16 -0.23 0.00 0.21 0.00 0.00 66.02 63.83 1x5t s SER 5 CO 0.00 -0.17 0.36 0.77 0.41 0.00 0.00 173.24 174.61 1x5t h SER 6 N 8.36 0.22 -4.10 2.44 4.64 -1.93 -3.51 113.55 119.67 1x5t h SER 6 Ca -0.32 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.25 1x5t h SER 6 Cb 1.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1x5t h SER 6 CO 0.62 1.62 -0.79 0.61 -0.87 0.00 0.00 176.83 178.01 1x5t n GLY 7 N 1.68 -4.50 3.20 -0.77 0.00 -1.26 -4.53 105.19 99.01 1x5t n GLY 7 Ca -0.30 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.97 1.42 -0.19 -0.61 -4.36 0.72 -2.71 121.20 112.49 1x5t s ILE 8 Ca 0.00 -1.03 -0.09 0.00 -0.26 0.00 0.00 60.65 59.26 1x5t s ILE 8 Cb 0.00 -1.24 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 1x5t s ILE 8 CO 0.00 0.18 0.11 0.12 0.24 0.00 0.00 174.94 175.59 1x5t s PHE 9 N -0.73 3.38 0.01 1.37 5.36 -0.81 -2.16 117.98 124.40 1x5t s PHE 9 Ca 0.05 0.27 0.07 0.00 -0.96 0.00 0.00 56.93 56.37 1x5t s PHE 9 Cb -0.08 -2.13 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1x5t s PHE 9 CO 0.01 0.27 -0.21 0.42 -1.46 0.00 0.00 175.22 174.25 1x5t s ILE 10 N 0.32 1.67 0.31 3.12 1.01 -0.54 -1.88 121.20 125.22 1x5t s ILE 10 Ca 0.07 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1x5t s ILE 10 Cb -0.11 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1x5t s ILE 10 CO -0.01 0.35 0.17 -0.83 0.00 0.00 0.00 174.94 174.61 1x5t s GLY 11 N -0.82 2.12 -1.17 6.18 0.00 -1.14 -0.24 107.32 112.25 1x5t s GLY 11 Ca 0.08 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 43.01 1x5t s GLY 11 CO 0.00 -1.59 0.90 -2.01 0.00 0.00 0.00 173.10 170.40 1x5t n ASN 12 N -1.02 -3.56 -4.70 1.64 5.15 -0.76 -3.12 115.26 108.89 1x5t n ASN 12 Ca 0.01 -0.72 -0.35 0.00 -0.60 0.00 0.00 54.58 52.92 1x5t n ASN 12 Cb 0.65 -4.80 -0.09 0.00 -0.53 0.00 0.00 39.78 35.01 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 -6.13 4.04 0.39 1.20 1.43 0.56 -4.12 118.68 116.05 1x5t s LEU 13 Ca 0.18 0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 53.18 1x5t s LEU 13 Cb -0.03 -2.03 -0.11 0.00 0.03 0.00 0.00 46.19 44.05 1x5t s LEU 13 CO 0.76 0.19 1.48 -0.67 0.23 0.00 0.00 176.35 178.34 1x5t n ASP 14 N 3.43 3.70 0.00 2.29 2.03 -1.26 -4.72 116.55 122.03 1x5t n ASP 14 Ca -0.16 1.21 0.08 0.00 0.52 0.00 0.00 54.79 56.43 1x5t n ASP 14 Cb 0.52 -1.62 0.41 0.00 -0.72 0.00 0.00 41.12 39.72 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 0.33 0.34 0.00 -0.67 -0.04 -1.26 -1.94 135.00 131.75 1x5t n PRO 15 Ca 0.02 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1x5t n PRO 15 Cb 0.39 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.15 1.25 -3.11 0.54 0.28 -1.26 -4.89 120.64 112.30 1x5t n GLU 16 Ca 0.09 -0.88 -0.29 0.00 -0.16 0.00 0.00 57.16 55.92 1x5t n GLU 16 Cb 0.09 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.45 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 -2.36 4.94 0.13 3.84 1.01 -0.82 -5.11 121.20 122.83 1x5t s ILE 17 Ca 0.25 0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.15 1x5t s ILE 17 Cb 0.19 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1x5t s ILE 17 CO 0.48 -0.46 -0.03 -1.81 0.00 0.00 0.00 174.94 173.12 1x5t s ASP 18 N -3.31 1.17 0.27 3.58 1.01 -1.26 -5.03 116.67 113.10 1x5t s ASP 18 Ca 0.46 -1.08 -0.02 0.00 0.71 0.00 0.00 52.55 52.63 1x5t s ASP 18 Cb -0.10 0.11 0.59 0.00 1.01 0.00 0.00 42.92 44.52 1x5t s ASP 18 CO 0.32 -0.51 1.66 -0.33 0.21 0.00 0.00 175.17 176.53 1x5t h GLU 19 N 2.84 0.23 -0.28 8.23 4.39 -1.99 0.19 114.58 128.19 1x5t h GLU 19 Ca -0.36 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.39 1x5t h GLU 19 Cb 1.18 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 1x5t h GLU 19 CO 0.64 0.15 -0.14 0.87 -1.16 0.00 0.00 179.01 179.37 1x5t h LYS 20 N 0.24 -0.09 0.43 2.33 1.79 -1.96 -1.19 116.57 118.12 1x5t h LYS 20 Ca 0.48 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.94 1x5t h LYS 20 Cb 0.91 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1x5t h LYS 20 CO -0.59 -0.06 -0.21 1.25 -1.08 0.00 0.00 179.45 178.76 1x5t h LEU 21 N -0.10 -0.49 -0.92 2.94 5.85 -1.41 -2.91 115.31 118.27 1x5t h LEU 21 Ca 0.15 0.02 0.33 0.00 0.84 0.00 0.00 57.88 59.22 1x5t h LEU 21 Cb 0.32 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 41.31 1x5t h LEU 21 CO -0.35 -0.33 0.31 0.18 -0.34 0.00 0.00 178.44 177.91 1x5t n LEU 22 N -3.64 0.16 0.30 2.25 4.77 -0.54 -0.08 117.00 120.21 1x5t n LEU 22 Ca -0.07 1.54 -0.18 0.00 -0.03 0.00 0.00 56.01 57.26 1x5t n LEU 22 Cb 0.23 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1x5t n LEU 22 CO 0.17 -1.66 0.54 0.22 -1.33 0.00 0.00 177.39 175.33 1x5t h TYR 23 N 0.00 -1.36 -0.06 -1.77 5.03 -1.06 -0.77 116.97 116.98 1x5t h TYR 23 Ca 0.69 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 62.01 1x5t h TYR 23 Cb 1.71 0.53 -0.00 0.00 1.55 0.00 0.00 36.73 40.52 1x5t h TYR 23 CO -0.19 -0.67 0.03 0.22 -1.32 0.00 0.00 178.16 176.24 1x5t h ASP 24 N -1.00 0.07 -0.98 -2.11 1.82 -0.31 0.75 116.42 114.66 1x5t h ASP 24 Ca -0.06 -0.12 0.26 0.00 -0.39 0.00 0.00 57.03 56.72 1x5t h ASP 24 Cb 0.87 -0.02 -0.13 0.00 0.68 0.00 0.00 39.33 40.73 1x5t h ASP 24 CO -0.05 0.18 0.55 0.74 -1.61 0.00 0.00 179.24 179.04 1x5t h THR 25 N -0.03 0.47 -0.00 2.25 2.02 -0.55 0.50 112.91 117.56 1x5t h THR 25 Ca 0.02 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1x5t h THR 25 Cb 0.12 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1x5t h THR 25 CO -0.00 0.09 -0.72 0.49 0.37 0.00 0.00 175.52 175.74 1x5t n PHE 26 N -4.96 0.00 -0.08 3.16 3.01 -0.30 -4.29 117.46 114.00 1x5t n PHE 26 Ca 0.27 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.61 1x5t n PHE 26 Cb 0.79 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 40.13 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 0.50 0.47 -0.86 4.37 0.87 0.56 -3.19 113.55 116.27 1x5t h SER 27 Ca 0.00 -0.38 0.10 0.00 -1.23 0.00 0.00 61.79 60.28 1x5t h SER 27 Cb 0.54 -0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 62.25 1x5t h SER 27 CO 0.00 0.74 -0.52 0.00 -0.53 0.00 0.00 176.83 176.53 1x5t h ALA 28 N 0.74 -0.38 0.05 6.23 0.00 -1.64 -2.43 119.26 121.83 1x5t h ALA 28 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x5t h ALA 28 Cb 0.55 1.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1x5t h ALA 28 CO 0.03 -0.88 -0.10 0.74 0.00 0.00 0.00 179.25 179.04 1x5t h PHE 29 N -0.09 -0.28 -4.80 0.00 0.04 -1.83 -3.47 116.94 106.52 1x5t h PHE 29 Ca 0.20 0.01 -0.47 0.00 2.80 0.00 0.00 57.97 60.50 1x5t h PHE 29 Cb 0.50 0.11 -0.12 0.00 2.20 0.00 0.00 35.95 38.64 1x5t h PHE 29 CO -0.91 -0.12 -0.46 0.41 -0.60 0.00 0.00 178.31 176.64 1x5t n GLY 30 N -1.10 2.95 3.76 -1.45 0.00 -0.91 -4.95 105.19 103.50 1x5t n GLY 30 Ca -0.02 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.31 4.91 0.33 1.61 1.01 -1.26 -4.12 120.40 119.58 1x5t s VAL 31 Ca 0.38 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.46 1x5t s VAL 31 Cb 0.02 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1x5t s VAL 31 CO 0.27 0.40 0.80 -0.63 0.00 0.00 0.00 175.10 175.94 1x5t s ILE 32 N -0.12 4.56 -0.09 2.22 1.01 -1.26 -1.59 121.20 125.93 1x5t s ILE 32 Ca 0.32 1.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.95 1x5t s ILE 32 Cb -0.18 -3.67 -0.16 0.00 0.01 0.00 0.00 42.46 38.46 1x5t s ILE 32 CO 0.17 -0.14 0.68 -0.07 0.00 0.00 0.00 174.94 175.58 1x5t h LEU 33 N 2.39 -0.07 -7.74 2.97 3.38 -1.68 -3.44 115.31 111.12 1x5t h LEU 33 Ca -0.48 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 56.89 1x5t h LEU 33 Cb 1.18 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 1x5t h LEU 33 CO 0.64 0.63 -0.33 -1.10 0.09 0.00 0.00 178.44 178.37 1x5t s GLN 34 N -2.65 0.86 0.10 1.13 -0.21 -1.26 -5.06 119.66 112.58 1x5t s GLN 34 Ca -0.12 -0.90 -0.33 0.00 0.02 0.00 0.00 55.36 54.03 1x5t s GLN 34 Cb -0.01 0.36 -0.18 0.00 1.00 0.00 0.00 33.01 34.18 1x5t s GLN 34 CO 0.46 -0.28 0.77 2.41 -2.12 0.00 0.00 175.29 176.53 1x5t n THR 35 N -0.03 1.02 -1.57 -0.19 -1.04 -1.26 -4.68 114.28 106.54 1x5t n THR 35 Ca -0.15 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.05 61.28 1x5t n THR 35 Cb 0.62 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.20 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 -0.51 2.60 -0.05 -2.82 0.04 -1.26 -4.95 135.00 128.04 1x5t s PRO 36 Ca 0.76 1.31 0.06 0.00 0.04 0.00 0.00 61.00 63.16 1x5t s PRO 36 Cb -1.08 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1x5t s PRO 36 CO 0.56 -1.40 -0.23 0.15 0.04 0.00 0.00 177.00 176.12 1x5t s LYS 37 N -4.40 2.51 -0.09 4.56 -0.14 -0.72 -4.93 119.74 116.54 1x5t s LYS 37 Ca 0.65 -0.87 0.04 0.00 -1.36 0.00 0.00 55.97 54.43 1x5t s LYS 37 Cb -0.19 -2.19 -0.00 0.00 -1.68 0.00 0.00 37.83 33.76 1x5t s LYS 37 CO 0.47 0.44 -0.23 0.42 -0.76 0.00 0.00 175.35 175.68 1x5t s ILE 38 N -0.29 1.99 0.10 2.17 1.01 -1.26 -0.43 121.20 124.49 1x5t s ILE 38 Ca 0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1x5t s ILE 38 Cb -0.13 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 1x5t s ILE 38 CO 0.02 0.55 1.10 -0.04 0.00 0.00 0.00 174.94 176.57 1x5t s MET 39 N 0.22 4.54 -0.08 2.79 -1.94 -1.04 -4.95 119.30 118.84 1x5t s MET 39 Ca -0.14 1.66 0.05 0.00 -1.71 0.00 0.00 55.69 55.54 1x5t s MET 39 Cb -0.17 -3.34 -0.00 0.00 2.01 0.00 0.00 34.83 33.33 1x5t s MET 39 CO 0.07 -0.05 -0.24 1.03 -0.01 0.00 0.00 175.02 175.82 1x5t s ARG 40 N 0.41 2.73 0.03 2.03 0.52 -1.26 -0.01 118.95 123.40 1x5t s ARG 40 Ca 0.53 -0.86 -0.35 0.00 -0.52 0.00 0.00 55.73 54.52 1x5t s ARG 40 Cb -0.27 -2.18 -0.14 0.00 0.52 0.00 0.00 34.95 32.88 1x5t s ARG 40 CO 0.31 0.26 1.64 -3.47 0.02 0.00 0.00 175.30 174.06 1x5t n ASP 41 N 3.27 2.85 0.00 0.23 -0.08 -0.68 -4.77 116.55 117.37 1x5t n ASP 41 Ca -0.18 1.06 0.08 0.00 -1.51 0.00 0.00 54.79 54.23 1x5t n ASP 41 Cb 0.53 -1.33 0.45 0.00 2.34 0.00 0.00 41.12 43.10 1x5t n ASP 41 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x5t n PRO 42 N 4.40 0.45 -0.05 -0.67 -0.04 -1.26 0.72 135.00 138.55 1x5t n PRO 42 Ca 0.20 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1x5t n PRO 42 Cb 0.25 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.04 1.09 0.10 3.54 9.92 -1.26 -4.71 116.55 124.19 1x5t n ASP 43 Ca 0.11 0.18 0.09 0.00 -0.53 0.00 0.00 54.79 54.64 1x5t n ASP 43 Cb 0.06 -0.63 -0.00 0.00 -0.64 0.00 0.00 41.12 39.91 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 -0.55 0.15 0.00 -3.53 1.03 -1.96 -3.47 112.91 104.57 1x5t h THR 44 Ca 0.00 -1.27 0.00 0.00 -0.01 0.00 0.00 66.41 65.13 1x5t h THR 44 Cb 0.55 1.70 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 1x5t h THR 44 CO 0.00 0.08 0.00 0.61 -0.01 0.00 0.00 175.52 176.20 1x5t n GLY 45 N 1.22 2.86 3.68 2.99 0.00 0.22 -5.00 105.19 111.17 1x5t n GLY 45 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.54 3.07 -0.29 1.61 -0.87 -1.26 -4.38 114.94 110.28 1x5t s ASN 46 Ca 0.00 1.62 -0.38 0.00 -1.57 0.00 0.00 52.86 52.53 1x5t s ASN 46 Cb 0.00 -2.27 -0.14 0.00 -0.02 0.00 0.00 41.25 38.81 1x5t s ASN 46 CO 0.00 -2.91 1.90 -0.24 -2.57 0.00 0.00 177.10 173.28 1x5t n SER 47 N -4.07 2.36 0.08 -1.22 2.88 -1.26 -1.69 113.62 110.69 1x5t n SER 47 Ca 0.07 0.87 -0.06 0.00 -1.33 0.00 0.00 58.87 58.42 1x5t n SER 47 Cb 0.54 -1.18 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 1x5t n SER 47 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x5t h LYS 48 N 8.91 -0.31 0.00 -1.46 1.63 -0.74 -3.44 116.57 121.17 1x5t h LYS 48 Ca -0.40 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1x5t h LYS 48 Cb 1.32 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1x5t h LYS 48 CO 0.98 -0.21 0.00 0.41 -3.45 0.00 0.00 179.45 177.19 1x5t n GLY 49 N -1.19 0.41 3.53 5.01 0.00 -1.26 -4.90 105.19 106.79 1x5t n GLY 49 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 2.36 0.28 1.61 1.13 -1.26 -0.32 117.35 121.14 1x5t s TYR 50 Ca 0.00 -0.49 -0.06 0.00 -1.41 0.00 0.00 57.07 55.10 1x5t s TYR 50 Cb 0.00 -1.32 -0.01 0.00 -1.10 0.00 0.00 41.96 39.53 1x5t s TYR 50 CO 0.00 0.58 0.41 0.00 -2.51 0.00 0.00 175.55 174.03 1x5t s ALA 51 N -2.63 0.46 0.01 9.51 0.00 0.66 -2.48 121.76 127.29 1x5t s ALA 51 Ca 0.32 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1x5t s ALA 51 Cb 0.02 1.17 -0.01 0.00 0.00 0.00 0.00 23.12 24.29 1x5t s ALA 51 CO 0.16 -0.78 -0.12 -0.06 0.00 0.00 0.00 175.76 174.96 1x5t s PHE 52 N -3.62 1.09 -0.04 0.00 0.40 0.43 -1.46 117.98 114.77 1x5t s PHE 52 Ca 0.29 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.33 1x5t s PHE 52 Cb 0.01 -0.68 0.01 0.00 0.51 0.00 0.00 43.02 42.87 1x5t s PHE 52 CO 0.15 -0.01 0.12 0.42 0.70 0.00 0.00 175.22 176.60 1x5t s ILE 53 N -0.46 0.01 -0.02 0.64 1.01 -0.92 -1.75 121.20 119.71 1x5t s ILE 53 Ca 0.03 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1x5t s ILE 53 Cb -0.06 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1x5t s ILE 53 CO 0.00 -0.03 -0.08 0.20 0.00 0.00 0.00 174.94 175.03 1x5t s ASN 54 N -0.05 4.54 0.27 3.58 -0.87 -1.26 -0.20 114.94 120.95 1x5t s ASN 54 Ca -0.01 -0.12 0.09 0.00 -1.57 0.00 0.00 52.86 51.24 1x5t s ASN 54 Cb -0.01 -1.06 -0.04 0.00 -0.02 0.00 0.00 41.25 40.11 1x5t s ASN 54 CO 0.00 0.31 0.07 -0.36 -2.57 0.00 0.00 177.10 174.55 1x5t s PHE 55 N -0.91 2.80 0.10 2.20 0.08 -1.26 -2.16 117.98 118.82 1x5t s PHE 55 Ca 0.15 -0.22 -0.18 0.00 0.12 0.00 0.00 56.93 56.80 1x5t s PHE 55 Cb -0.11 -1.31 -0.07 0.00 -0.57 0.00 0.00 43.02 40.96 1x5t s PHE 55 CO 0.05 0.55 1.57 0.00 -0.10 0.00 0.00 175.22 177.29 1x5t h ALA 56 N 1.73 0.36 -2.41 5.36 0.00 -1.59 -3.42 119.26 119.30 1x5t h ALA 56 Ca -0.45 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1x5t h ALA 56 Cb 1.25 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1x5t h ALA 56 CO 0.61 0.04 -0.67 0.45 0.00 0.00 0.00 179.25 179.68 1x5t s SER 57 N -5.86 0.41 0.24 0.00 0.15 -1.26 -4.67 113.70 102.71 1x5t s SER 57 Ca -0.14 -0.87 -0.05 0.00 0.70 0.00 0.00 55.95 55.60 1x5t s SER 57 Cb 0.08 0.19 0.39 0.00 -1.71 0.00 0.00 66.02 64.97 1x5t s SER 57 CO 0.74 -0.54 1.79 -0.26 1.20 0.00 0.00 173.24 176.18 1x5t h PHE 58 N 3.46 0.77 -0.84 3.44 0.04 -1.89 -2.36 116.94 119.56 1x5t h PHE 58 Ca -0.34 0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.61 1x5t h PHE 58 Cb 1.16 -0.23 -0.15 0.00 2.20 0.00 0.00 35.95 38.93 1x5t h PHE 58 CO 0.55 0.29 -0.34 0.22 -0.60 0.00 0.00 178.31 178.44 1x5t h ASP 59 N 0.71 -1.22 -0.18 2.17 3.58 -2.00 0.12 116.42 119.61 1x5t h ASP 59 Ca 0.39 0.27 0.05 0.00 0.42 0.00 0.00 57.03 58.16 1x5t h ASP 59 Cb 0.40 0.65 -0.06 0.00 1.72 0.00 0.00 39.33 42.05 1x5t h ASP 59 CO -0.27 -0.29 -0.18 0.00 -2.88 0.00 0.00 179.24 175.62 1x5t h ALA 60 N 1.35 -0.08 -0.77 -0.78 0.00 -1.79 -1.87 119.26 115.32 1x5t h ALA 60 Ca 0.32 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1x5t h ALA 60 Cb 0.59 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1x5t h ALA 60 CO -0.87 -0.62 0.43 0.77 0.00 0.00 0.00 179.25 178.96 1x5t h SER 61 N -0.21 0.60 -0.92 0.00 0.02 -0.86 -1.53 113.55 110.65 1x5t h SER 61 Ca 0.11 0.05 0.25 0.00 -0.84 0.00 0.00 61.79 61.36 1x5t h SER 61 Cb 0.38 -0.06 -0.14 0.00 0.14 0.00 0.00 62.40 62.71 1x5t h SER 61 CO -0.30 0.35 0.39 -0.78 -1.14 0.00 0.00 176.83 175.35 1x5t h ASP 62 N 0.73 0.27 -0.30 3.07 1.82 -0.08 0.20 116.42 122.12 1x5t h ASP 62 Ca 0.37 0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 57.18 1x5t h ASP 62 Cb 0.34 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 1x5t h ASP 62 CO -0.24 -0.09 0.15 0.00 -1.61 0.00 0.00 179.24 177.45 1x5t h ALA 63 N 1.77 0.39 0.42 -0.78 0.00 -1.17 -2.04 119.26 117.86 1x5t h ALA 63 Ca 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1x5t h ALA 63 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x5t h ALA 63 CO -0.59 -0.05 -0.20 0.00 0.00 0.00 0.00 179.25 178.40 1x5t h ALA 64 N 1.01 -0.99 -0.24 0.00 0.00 -0.66 0.20 119.26 118.59 1x5t h ALA 64 Ca 0.10 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1x5t h ALA 64 Cb 0.11 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x5t h ALA 64 CO -0.01 -0.94 0.67 0.82 0.00 0.00 0.00 179.25 179.78 1x5t h ILE 65 N -0.65 0.07 0.00 0.00 2.04 -1.08 1.52 117.51 119.41 1x5t h ILE 65 Ca -0.06 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 1x5t h ILE 65 Cb 0.44 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1x5t h ILE 65 CO 0.10 0.00 -0.82 -0.08 0.00 0.00 0.00 178.15 177.35 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.57 -1.07 -3.36 114.58 117.10 1x5t h GLU 66 Ca 0.11 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1x5t h GLU 66 Cb 1.45 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 1x5t h GLU 66 CO -0.00 0.88 -1.08 0.00 -1.18 0.00 0.00 179.01 177.63 1x5t n ALA 67 N -3.19 0.85 -0.40 2.92 0.00 0.68 -4.41 120.51 116.95 1x5t n ALA 67 Ca -0.23 -0.78 0.39 0.00 0.00 0.00 0.00 53.44 52.81 1x5t n ALA 67 Cb 0.57 0.03 0.76 0.00 0.00 0.00 0.00 19.45 20.81 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 -1.00 0.01 -4.97 0.00 2.86 0.19 -3.19 114.93 108.83 1x5t h MET 68 Ca -0.07 -0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.14 1x5t h MET 68 Cb 0.99 -0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.71 1x5t h MET 68 CO -0.05 0.00 1.22 -1.71 1.06 0.00 0.00 176.91 177.44 1x5t n ASN 69 N -4.14 1.75 0.00 1.22 5.15 -0.21 -1.80 115.26 117.24 1x5t n ASN 69 Ca 0.29 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.70 1x5t n ASN 69 Cb 1.39 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 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 5.28 1.21 2.50 8.20 0.00 -0.99 -4.86 105.19 116.52 1x5t n GLY 70 Ca 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -2.20 1.61 1.13 -0.74 -4.32 117.38 112.85 1x5t n GLN 71 Ca 0.00 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.66 1x5t n GLN 71 Cb 0.00 -1.05 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 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 0.44 1.91 0.72 1.08 5.04 -1.26 -2.75 117.35 122.53 1x5t s TYR 72 Ca 0.66 0.55 -0.04 0.00 -2.44 0.00 0.00 57.07 55.80 1x5t s TYR 72 Cb -0.93 -4.26 0.10 0.00 0.35 0.00 0.00 41.96 37.23 1x5t s TYR 72 CO 0.44 -2.24 1.01 -1.17 -1.34 0.00 0.00 175.55 172.24 1x5t s LEU 73 N 7.71 2.95 -0.61 6.97 2.96 -0.58 -4.82 118.68 133.25 1x5t s LEU 73 Ca 0.59 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1x5t s LEU 73 Cb -0.12 -2.50 -0.20 0.00 0.50 0.00 0.00 46.19 43.87 1x5t s LEU 73 CO 0.21 -1.79 1.34 0.00 -1.32 0.00 0.00 176.35 174.79 1x5t n ASN 75 N 3.64 0.16 -3.22 0.00 3.02 -1.26 -4.58 115.26 113.02 1x5t n ASN 75 Ca 0.41 -1.23 0.04 0.00 -0.03 0.00 0.00 54.58 53.77 1x5t n ASN 75 Cb 0.08 -1.54 -0.02 0.00 -0.61 0.00 0.00 39.78 37.69 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 -7.19 0.27 -0.35 3.52 0.52 0.16 -4.95 118.95 110.92 1x5t s ARG 76 Ca 0.23 0.53 -0.28 0.00 -0.52 0.00 0.00 55.73 55.69 1x5t s ARG 76 Cb -0.13 0.31 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 1x5t s ARG 76 CO 0.98 -0.24 1.70 -1.25 0.02 0.00 0.00 175.30 176.51 1x5t s PRO 77 N 2.79 3.39 0.79 3.54 0.04 -1.26 -1.53 135.00 142.75 1x5t s PRO 77 Ca 0.02 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1x5t s PRO 77 Cb -0.10 -4.16 0.07 0.00 0.04 0.00 0.00 34.50 30.35 1x5t s PRO 77 CO -0.14 -1.80 1.10 0.96 0.04 0.00 0.00 177.00 177.16 1x5t s ILE 78 N 6.55 3.04 -0.16 0.56 -4.36 -1.11 -4.72 121.20 121.01 1x5t s ILE 78 Ca 0.75 0.34 -0.04 0.00 -0.26 0.00 0.00 60.65 61.44 1x5t s ILE 78 Cb -0.20 -3.13 0.07 0.00 1.25 0.00 0.00 42.46 40.45 1x5t s ILE 78 CO 0.33 -0.44 0.18 0.42 0.24 0.00 0.00 174.94 175.67 1x5t s THR 79 N -3.21 -0.26 -0.16 8.37 -4.23 -1.18 -2.34 115.64 112.63 1x5t s THR 79 Ca 0.61 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 1x5t s THR 79 Cb -0.14 -0.52 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 1x5t s THR 79 CO 0.54 -0.09 0.17 -0.69 -0.54 0.00 0.00 174.62 174.00 1x5t s VAL 80 N 2.28 5.41 -0.23 2.29 1.01 -1.26 -2.87 120.40 127.03 1x5t s VAL 80 Ca 0.05 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 1x5t s VAL 80 Cb -0.14 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1x5t s VAL 80 CO -0.09 0.49 0.52 -0.44 0.00 0.00 0.00 175.10 175.58 1x5t s SER 81 N -0.05 -0.67 -0.10 3.32 0.01 -0.79 -4.72 113.70 110.70 1x5t s SER 81 Ca 0.12 1.20 -0.33 0.00 1.31 0.00 0.00 55.95 58.25 1x5t s SER 81 Cb -0.12 1.36 -0.16 0.00 0.21 0.00 0.00 66.02 67.32 1x5t s SER 81 CO 0.01 -0.22 0.95 -1.22 0.41 0.00 0.00 173.24 173.17 1x5t n TYR 82 N 4.81 0.73 0.19 2.43 4.01 -1.26 -1.93 117.16 126.15 1x5t n TYR 82 Ca -0.16 0.86 -0.06 0.00 -0.16 0.00 0.00 57.90 58.37 1x5t n TYR 82 Cb 0.53 -1.68 0.09 0.00 -0.31 0.00 0.00 39.34 37.98 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 1.69 3.49 -2.43 -0.72 0.00 -1.10 -4.23 120.51 117.21 1x5t n ALA 83 Ca 0.18 -0.99 -0.28 0.00 0.00 0.00 0.00 53.44 52.35 1x5t n ALA 83 Cb 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1x5t n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x5t n PHE 84 N -0.02 3.38 -3.39 0.00 7.35 -1.26 -4.96 117.46 118.55 1x5t n PHE 84 Ca 0.19 -3.05 -0.00 0.00 -0.76 0.00 0.00 57.45 53.83 1x5t n PHE 84 Cb 0.85 -0.15 -0.03 0.00 0.35 0.00 0.00 39.48 40.49 1x5t n PHE 84 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1x5t s LYS 85 N -3.57 0.53 -0.68 -4.13 2.20 -1.26 -5.06 119.74 107.76 1x5t s LYS 85 Ca 0.48 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 57.25 1x5t s LYS 85 Cb 0.40 0.56 0.36 0.00 -1.51 0.00 0.00 37.83 37.63 1x5t s LYS 85 CO -0.20 -0.44 1.33 0.36 -0.36 0.00 0.00 175.35 176.04 1x5t n LYS 86 N 5.43 3.73 -3.66 4.03 0.00 -1.26 -4.96 118.16 121.46 1x5t n LYS 86 Ca -0.06 -4.56 -0.07 0.00 -0.00 0.00 0.00 58.31 53.62 1x5t n LYS 86 Cb 0.50 -2.30 -0.08 0.00 -0.00 0.00 0.00 35.03 33.15 1x5t n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1x5t s ASP 87 N -2.69 -0.60 0.12 -5.58 -1.08 -1.26 -5.05 116.67 100.53 1x5t s ASP 87 Ca 0.47 1.17 -0.21 0.00 -0.52 0.00 0.00 52.55 53.46 1x5t s ASP 87 Cb 0.31 1.41 -0.04 0.00 -1.46 0.00 0.00 42.92 43.14 1x5t s ASP 87 CO -0.19 -0.22 1.70 -1.28 0.52 0.00 0.00 175.17 175.71 1x5t h SER 88 N 7.71 -0.20 -3.95 -0.34 0.87 -2.04 -3.42 113.55 112.18 1x5t h SER 88 Ca -0.23 0.06 -0.43 0.00 -1.23 0.00 0.00 61.79 59.95 1x5t h SER 88 Cb 1.14 0.12 -0.30 0.00 -0.44 0.00 0.00 62.40 62.93 1x5t h SER 88 CO 0.16 -0.08 -0.79 -0.54 -0.53 0.00 0.00 176.83 175.06 1x5t s LYS 89 N -6.20 0.96 -0.10 2.24 -0.14 -1.26 -5.07 119.74 110.17 1x5t s LYS 89 Ca -0.13 -0.35 -0.03 0.00 -1.36 0.00 0.00 55.97 54.09 1x5t s LYS 89 Cb 0.10 -0.90 -0.01 0.00 -1.68 0.00 0.00 37.83 35.33 1x5t s LYS 89 CO 0.68 0.17 -0.06 0.78 -0.76 0.00 0.00 175.35 176.16 1x5t h GLY 90 N 6.15 0.00 -5.15 -3.33 0.00 -2.03 -3.45 103.07 95.25 1x5t h GLY 90 Ca -0.33 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.47 1x5t h GLY 90 CO 0.49 0.00 1.10 -0.45 0.00 0.00 0.00 176.54 177.68 1x5t s SER 91 N -5.28 6.57 -0.66 0.19 0.15 -1.26 -4.96 113.70 108.44 1x5t s SER 91 Ca -0.05 2.48 -0.10 0.00 0.70 0.00 0.00 55.95 58.99 1x5t s SER 91 Cb 0.01 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.94 1x5t s SER 91 CO 0.07 -0.95 0.55 -0.83 1.20 0.00 0.00 173.24 173.28 1x5t s GLY 92 N 3.23 2.43 -0.14 9.45 0.00 -1.26 -5.05 107.32 115.98 1x5t s GLY 92 Ca 0.78 -3.07 -0.29 0.00 0.00 0.00 0.00 44.72 42.14 1x5t s GLY 92 CO 0.34 1.17 1.56 2.56 0.00 0.00 0.00 173.10 178.74 1x5t s PRO 93 N 0.47 4.04 -0.23 2.90 0.04 -1.26 -5.00 135.00 135.97 1x5t s PRO 93 Ca 0.14 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 1x5t s PRO 93 Cb -0.18 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 1x5t s PRO 93 CO -0.04 -1.00 0.26 -1.12 0.04 0.00 0.00 177.00 175.14 1x5t s SER 94 N 3.43 6.24 0.00 6.66 0.01 -1.26 -5.08 113.70 123.71 1x5t s SER 94 Ca 0.69 0.27 0.02 0.00 1.31 0.00 0.00 55.95 58.24 1x5t s SER 94 Cb -0.28 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1x5t s SER 94 CO 0.26 -0.01 -0.07 -0.94 0.41 0.00 0.00 173.24 172.90 1x5t s SER 95 N 1.11 0.79 0.00 2.44 1.04 -1.26 -5.36 113.70 112.46 1x5t s SER 95 Ca 0.12 -0.18 0.11 0.00 0.48 0.00 0.00 55.95 56.48 1x5t s SER 95 Cb -0.14 -0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.00 1x5t s SER 95 CO 0.06 0.04 0.84 0.61 0.98 0.00 0.00 173.24 175.77