#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 7.02 -0.19 1.61 1.04 -1.26 -5.04 113.70 116.88 1x5t s SER 2 Ca 0.00 1.24 -0.04 0.00 0.48 0.00 0.00 55.95 57.63 1x5t s SER 2 Cb 0.00 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 1x5t s SER 2 CO 0.00 -0.27 -0.04 -0.44 0.98 0.00 0.00 173.24 173.47 1x5t s SER 3 N 1.01 4.55 0.00 7.02 0.01 -1.26 -4.72 113.70 120.30 1x5t s SER 3 Ca 0.40 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1x5t s SER 3 Cb -0.18 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.29 1x5t s SER 3 CO 0.17 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1x5t n GLY 4 N 4.21 2.27 3.31 3.44 0.00 -1.26 -4.39 105.19 112.77 1x5t n GLY 4 Ca -0.18 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1x5t n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5t n SER 5 N 3.14 -5.59 0.01 1.61 7.64 -1.26 -4.94 113.62 114.22 1x5t n SER 5 Ca 0.00 -0.47 -0.02 0.00 1.01 0.00 0.00 58.87 59.39 1x5t n SER 5 Cb 0.00 -4.43 -0.01 0.00 -1.01 0.00 0.00 64.21 58.75 1x5t n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x5t h SER 6 N -2.31 -0.17 -3.57 6.43 0.02 -1.87 -3.49 113.55 108.59 1x5t h SER 6 Ca -0.49 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1x5t h SER 6 Cb 1.32 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 1x5t h SER 6 CO 0.48 -0.06 -0.42 0.61 -1.14 0.00 0.00 176.83 176.30 1x5t n GLY 7 N -1.05 -3.68 3.85 -3.77 0.00 -1.26 -4.86 105.19 94.42 1x5t n GLY 7 Ca -0.01 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.19 5.16 -0.20 -0.61 -4.36 0.11 -3.88 121.20 117.23 1x5t s ILE 8 Ca -0.06 -0.23 -0.09 0.00 -0.26 0.00 0.00 60.65 60.00 1x5t s ILE 8 Cb 0.00 -3.38 -0.05 0.00 1.25 0.00 0.00 42.46 40.28 1x5t s ILE 8 CO 0.16 0.35 0.11 0.12 0.24 0.00 0.00 174.94 175.92 1x5t s PHE 9 N -1.26 3.35 -0.02 1.37 5.36 -0.57 -2.18 117.98 124.04 1x5t s PHE 9 Ca 0.25 0.24 0.05 0.00 -0.96 0.00 0.00 56.93 56.51 1x5t s PHE 9 Cb -0.12 -2.14 -0.01 0.00 -0.34 0.00 0.00 43.02 40.40 1x5t s PHE 9 CO 0.16 0.23 -0.17 0.42 -1.46 0.00 0.00 175.22 174.40 1x5t s ILE 10 N 0.41 1.39 0.34 3.12 1.01 -0.76 -1.86 121.20 124.86 1x5t s ILE 10 Ca 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1x5t s ILE 10 Cb -0.12 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1x5t s ILE 10 CO -0.01 0.40 0.10 -0.83 0.00 0.00 0.00 174.94 174.60 1x5t s GLY 11 N -0.25 2.19 -0.95 6.18 0.00 -1.16 -0.23 107.32 113.10 1x5t s GLY 11 Ca 0.03 -1.71 -0.02 0.00 0.00 0.00 0.00 44.72 43.02 1x5t s GLY 11 CO 0.00 -1.75 0.80 -2.01 0.00 0.00 0.00 173.10 170.14 1x5t n ASN 12 N -0.88 -3.34 -4.70 1.64 5.15 -1.15 -2.76 115.26 109.22 1x5t n ASN 12 Ca -0.03 -0.54 -0.35 0.00 -0.60 0.00 0.00 54.58 53.07 1x5t n ASN 12 Cb 0.66 -4.34 -0.09 0.00 -0.53 0.00 0.00 39.78 35.48 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 -5.38 4.07 0.30 1.20 1.43 0.00 -3.91 118.68 116.40 1x5t s LEU 13 Ca 0.13 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.14 1x5t s LEU 13 Cb -0.02 -2.04 -0.13 0.00 0.03 0.00 0.00 46.19 44.03 1x5t s LEU 13 CO 0.60 0.20 1.13 -0.67 0.23 0.00 0.00 176.35 177.84 1x5t n ASP 14 N 3.40 1.88 0.00 2.29 -0.08 -1.26 -4.73 116.55 118.05 1x5t n ASP 14 Ca -0.16 1.19 0.07 0.00 -1.51 0.00 0.00 54.79 54.38 1x5t n ASP 14 Cb 0.52 -1.36 0.44 0.00 2.34 0.00 0.00 41.12 43.06 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 0.72 0.49 -0.08 -0.67 -0.04 -1.26 -2.23 135.00 131.93 1x5t n PRO 15 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1x5t n PRO 15 Cb 0.33 -1.47 -0.16 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.97 0.69 -1.02 0.54 1.02 -1.26 -4.80 120.64 114.83 1x5t n GLU 16 Ca 0.11 -0.05 -0.33 0.00 -0.02 0.00 0.00 57.16 56.87 1x5t n GLU 16 Cb 0.05 -1.52 0.14 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.71 2.11 0.38 -3.67 1.01 -0.95 -5.05 121.20 112.32 1x5t s ILE 17 Ca -0.10 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1x5t s ILE 17 Cb 0.08 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1x5t s ILE 17 CO 0.85 -0.04 0.18 -1.81 0.00 0.00 0.00 174.94 174.11 1x5t s ASP 18 N -2.34 2.39 0.07 3.58 1.01 -1.26 -5.01 116.67 115.10 1x5t s ASP 18 Ca 0.71 -1.70 -0.25 0.00 0.71 0.00 0.00 52.55 52.02 1x5t s ASP 18 Cb -0.27 0.53 -0.16 0.00 1.01 0.00 0.00 42.92 44.03 1x5t s ASP 18 CO 0.52 -0.98 1.63 -0.33 0.21 0.00 0.00 175.17 176.23 1x5t h GLU 19 N 1.91 -0.13 -0.13 8.23 5.08 -1.96 -2.63 114.58 124.95 1x5t h GLU 19 Ca -0.32 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1x5t h GLU 19 Cb 1.26 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.47 1x5t h GLU 19 CO 0.50 -0.01 -0.46 0.87 -1.00 0.00 0.00 179.01 178.91 1x5t h LYS 20 N -0.22 -0.51 0.00 2.33 1.79 -1.97 -1.38 116.57 116.60 1x5t h LYS 20 Ca -0.01 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1x5t h LYS 20 Cb 0.18 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1x5t h LYS 20 CO 0.02 -0.34 0.00 -0.11 -1.08 0.00 0.00 179.45 177.94 1x5t n LEU 21 N -5.44 0.00 -0.31 2.94 7.94 -1.20 -1.77 117.00 119.16 1x5t n LEU 21 Ca -0.05 0.99 0.09 0.00 -1.11 0.00 0.00 56.01 55.93 1x5t n LEU 21 Cb 0.37 -0.49 0.19 0.00 0.53 0.00 0.00 43.42 44.02 1x5t n LEU 21 CO 0.11 -0.49 0.64 0.18 -1.11 0.00 0.00 177.39 176.71 1x5t n LEU 22 N -2.56 -0.21 -0.25 -1.96 4.77 -1.00 -0.22 117.00 115.57 1x5t n LEU 22 Ca 0.00 1.50 -0.12 0.00 -0.03 0.00 0.00 56.01 57.36 1x5t n LEU 22 Cb 0.00 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 1x5t n LEU 22 CO 0.00 -1.48 0.50 0.22 -1.33 0.00 0.00 177.39 175.31 1x5t h TYR 23 N 0.00 -1.72 -0.22 -1.77 5.03 -0.42 -0.59 116.97 117.28 1x5t h TYR 23 Ca 0.47 0.10 -0.08 0.00 2.58 0.00 0.00 58.73 61.80 1x5t h TYR 23 Cb 0.86 0.84 -0.00 0.00 1.55 0.00 0.00 36.73 39.97 1x5t h TYR 23 CO -0.57 -0.44 -0.18 0.22 -1.32 0.00 0.00 178.16 175.87 1x5t h ASP 24 N -0.23 0.54 -1.01 -2.11 3.58 -0.41 0.32 116.42 117.09 1x5t h ASP 24 Ca 0.12 -0.46 0.37 0.00 0.42 0.00 0.00 57.03 57.48 1x5t h ASP 24 Cb 0.53 -0.15 -0.16 0.00 1.72 0.00 0.00 39.33 41.27 1x5t h ASP 24 CO -0.74 0.88 0.56 0.74 -2.88 0.00 0.00 179.24 177.80 1x5t h THR 25 N 0.20 0.17 0.03 2.25 2.02 0.24 -0.91 112.91 116.91 1x5t h THR 25 Ca 0.04 -0.06 -0.38 0.00 0.77 0.00 0.00 66.41 66.78 1x5t h THR 25 Cb 0.71 -0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 1x5t h THR 25 CO 0.05 0.03 -2.31 0.49 0.37 0.00 0.00 175.52 174.15 1x5t n PHE 26 N -5.13 0.38 -0.25 3.16 3.01 -0.32 -4.37 117.46 113.94 1x5t n PHE 26 Ca 0.35 0.09 0.24 0.00 1.01 0.00 0.00 57.45 59.14 1x5t n PHE 26 Cb 1.12 -1.05 0.45 0.00 -0.01 0.00 0.00 39.48 39.99 1x5t n PHE 26 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1x5t n SER 27 N -3.26 0.26 -0.31 4.37 2.88 0.11 0.73 113.62 118.41 1x5t n SER 27 Ca -0.40 1.28 0.04 0.00 -1.33 0.00 0.00 58.87 58.46 1x5t n SER 27 Cb 1.03 -0.62 0.11 0.00 -0.75 0.00 0.00 64.21 63.97 1x5t n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5t h ALA 28 N 1.54 0.56 0.00 -1.46 0.00 -1.69 -2.77 119.26 115.44 1x5t h ALA 28 Ca 0.65 0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.90 1x5t h ALA 28 Cb 1.72 0.67 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1x5t h ALA 28 CO -0.60 -0.40 -0.00 0.74 0.00 0.00 0.00 179.25 178.99 1x5t h PHE 29 N -0.00 -0.00 -2.86 0.00 0.04 0.01 -3.48 116.94 110.64 1x5t h PHE 29 Ca 0.42 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.62 1x5t h PHE 29 Cb 0.64 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.66 1x5t h PHE 29 CO -0.68 -0.00 -0.50 0.20 -0.60 0.00 0.00 178.31 176.72 1x5t s GLY 30 N -1.37 2.65 -0.12 -1.45 0.00 -1.05 -5.02 107.32 100.96 1x5t s GLY 30 Ca -0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 44.72 43.26 1x5t s GLY 30 CO 0.00 -1.80 0.55 0.14 0.00 0.00 0.00 173.10 171.99 1x5t s VAL 31 N -3.21 5.14 0.26 1.40 1.01 -1.26 -3.97 120.40 119.77 1x5t s VAL 31 Ca 0.24 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1x5t s VAL 31 Cb 0.02 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1x5t s VAL 31 CO 0.16 0.28 1.11 -0.63 0.00 0.00 0.00 175.10 176.02 1x5t s ILE 32 N 0.85 3.52 -0.05 2.22 1.01 -1.26 -1.62 121.20 125.87 1x5t s ILE 32 Ca 0.29 1.50 -0.26 0.00 0.00 0.00 0.00 60.65 62.18 1x5t s ILE 32 Cb -0.16 -3.95 -0.21 0.00 0.01 0.00 0.00 42.46 38.15 1x5t s ILE 32 CO 0.12 0.34 1.08 -0.07 0.00 0.00 0.00 174.94 176.42 1x5t h LEU 33 N 4.02 -0.04 -7.60 2.97 3.38 -1.73 -3.45 115.31 112.86 1x5t h LEU 33 Ca -0.46 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 56.81 1x5t h LEU 33 Cb 1.21 0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.78 1x5t h LEU 33 CO 0.68 0.58 -0.34 -1.10 0.09 0.00 0.00 178.44 178.35 1x5t s GLN 34 N -3.65 0.65 0.06 1.13 -1.52 -1.26 -5.07 119.66 110.00 1x5t s GLN 34 Ca -0.16 -0.34 -0.31 0.00 -1.95 0.00 0.00 55.36 52.60 1x5t s GLN 34 Cb 0.00 0.28 -0.16 0.00 -0.22 0.00 0.00 33.01 32.91 1x5t s GLN 34 CO 0.64 -0.18 0.75 2.41 -0.25 0.00 0.00 175.29 178.66 1x5t n THR 35 N 1.13 0.58 -2.15 -0.19 -1.04 -1.26 -4.62 114.28 106.73 1x5t n THR 35 Ca -0.21 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.05 61.31 1x5t n THR 35 Cb 0.57 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.09 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 -0.29 3.24 -0.01 -2.82 0.04 -1.26 -4.95 135.00 128.94 1x5t s PRO 36 Ca 0.70 1.56 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1x5t s PRO 36 Cb -0.98 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1x5t s PRO 36 CO 0.48 -0.93 -0.04 0.15 0.04 0.00 0.00 177.00 176.70 1x5t s LYS 37 N -3.47 2.69 -0.11 4.56 -0.14 -0.89 -4.92 119.74 117.46 1x5t s LYS 37 Ca 0.71 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 54.70 1x5t s LYS 37 Cb -0.23 -2.60 0.02 0.00 -1.68 0.00 0.00 37.83 33.34 1x5t s LYS 37 CO 0.30 0.62 -0.13 0.42 -0.76 0.00 0.00 175.35 175.80 1x5t s ILE 38 N -1.00 1.36 0.53 2.17 1.01 -1.26 -1.80 121.20 122.20 1x5t s ILE 38 Ca 0.17 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 1x5t s ILE 38 Cb -0.11 -1.27 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 1x5t s ILE 38 CO 0.08 0.42 1.15 -0.04 0.00 0.00 0.00 174.94 176.54 1x5t s MET 39 N 1.15 3.41 0.21 2.79 -1.94 -1.21 -4.93 119.30 118.78 1x5t s MET 39 Ca -0.04 1.69 -0.09 0.00 -1.71 0.00 0.00 55.69 55.54 1x5t s MET 39 Cb -0.14 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 1x5t s MET 39 CO -0.03 -0.82 0.35 1.03 -0.01 0.00 0.00 175.02 175.53 1x5t s ARG 40 N -3.14 1.36 -0.18 2.03 0.52 -1.26 -0.80 118.95 117.48 1x5t s ARG 40 Ca 0.71 -1.31 -0.14 0.00 -0.52 0.00 0.00 55.73 54.47 1x5t s ARG 40 Cb -0.26 0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.56 1x5t s ARG 40 CO 0.30 -0.52 0.29 0.34 0.02 0.00 0.00 175.30 175.72 1x5t s ASP 41 N -3.03 6.38 0.00 0.23 2.15 -1.16 -4.81 116.67 116.43 1x5t s ASP 41 Ca 0.24 0.44 0.15 0.00 0.43 0.00 0.00 52.55 53.82 1x5t s ASP 41 Cb 0.02 -2.18 0.89 0.00 -0.30 0.00 0.00 42.92 41.36 1x5t s ASP 41 CO 0.07 0.06 1.36 -0.81 -0.17 0.00 0.00 175.17 175.68 1x5t n PRO 42 N 3.88 0.43 -0.12 4.34 -0.04 -1.26 0.16 135.00 142.38 1x5t n PRO 42 Ca -0.12 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.13 1x5t n PRO 42 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x5t n ASP 43 N -1.06 1.95 -0.09 3.54 9.92 -1.26 -4.74 116.55 124.82 1x5t n ASP 43 Ca 0.11 0.34 -0.08 0.00 -0.53 0.00 0.00 54.79 54.63 1x5t n ASP 43 Cb 0.07 -0.80 -0.15 0.00 -0.64 0.00 0.00 41.12 39.59 1x5t n ASP 43 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1x5t n THR 44 N -4.32 1.19 -2.50 -3.53 5.66 -1.19 -5.02 114.28 104.58 1x5t n THR 44 Ca -0.43 -0.78 -0.06 0.00 -3.05 0.00 0.00 64.05 59.73 1x5t n THR 44 Cb 0.78 -0.45 0.01 0.00 -1.55 0.00 0.00 70.33 69.12 1x5t n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x5t n GLY 45 N 1.79 0.35 3.68 1.09 0.00 0.42 -4.98 105.19 107.54 1x5t n GLY 45 Ca -0.29 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.93 4.97 -0.57 1.61 0.01 -1.26 -4.79 114.94 111.98 1x5t s ASN 46 Ca 0.09 -0.24 -0.34 0.00 -0.71 0.00 0.00 52.86 51.66 1x5t s ASN 46 Cb -0.04 -1.15 -0.15 0.00 0.41 0.00 0.00 41.25 40.32 1x5t s ASN 46 CO 0.11 0.14 2.36 -0.24 -1.51 0.00 0.00 177.10 177.97 1x5t n SER 47 N 0.32 1.46 -0.30 -1.22 2.88 -1.26 -3.00 113.62 112.50 1x5t n SER 47 Ca -0.10 0.22 0.01 0.00 -1.33 0.00 0.00 58.87 57.67 1x5t n SER 47 Cb 0.53 -1.18 0.08 0.00 -0.75 0.00 0.00 64.21 62.90 1x5t n SER 47 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x5t h LYS 48 N 13.11 -0.03 0.00 -1.46 1.79 -1.28 -3.46 116.57 125.25 1x5t h LYS 48 Ca -0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1x5t h LYS 48 Cb 1.32 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1x5t h LYS 48 CO 1.16 -0.02 0.00 0.41 -1.08 0.00 0.00 179.45 179.92 1x5t n GLY 49 N -1.52 3.42 3.77 3.86 0.00 -1.26 -5.04 105.19 108.42 1x5t n GLY 49 Ca 0.11 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 2.95 0.21 1.61 1.13 -1.26 -0.82 117.35 121.17 1x5t s TYR 50 Ca 0.00 -0.18 -0.06 0.00 -1.41 0.00 0.00 57.07 55.42 1x5t s TYR 50 Cb 0.00 -1.41 -0.03 0.00 -1.10 0.00 0.00 41.96 39.42 1x5t s TYR 50 CO 0.00 0.49 0.26 0.00 -2.51 0.00 0.00 175.55 173.79 1x5t s ALA 51 N -2.23 0.60 -0.06 9.51 0.00 0.68 -3.33 121.76 126.93 1x5t s ALA 51 Ca 0.34 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1x5t s ALA 51 Cb -0.07 1.24 0.01 0.00 0.00 0.00 0.00 23.12 24.31 1x5t s ALA 51 CO 0.24 -0.69 -0.11 -0.06 0.00 0.00 0.00 175.76 175.14 1x5t s PHE 52 N -4.10 1.32 0.03 0.00 0.40 -0.74 -1.82 117.98 113.06 1x5t s PHE 52 Ca 0.32 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1x5t s PHE 52 Cb 0.04 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 1x5t s PHE 52 CO 0.10 -0.26 -0.13 0.42 0.70 0.00 0.00 175.22 176.05 1x5t s ILE 53 N 0.73 1.05 0.03 0.64 1.01 -0.93 -2.10 121.20 121.63 1x5t s ILE 53 Ca -0.14 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1x5t s ILE 53 Cb -0.15 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1x5t s ILE 53 CO 0.03 0.07 -0.06 0.21 0.00 0.00 0.00 174.94 175.19 1x5t s ASN 54 N -0.91 4.68 0.34 3.58 3.84 -1.26 0.04 114.94 125.25 1x5t s ASN 54 Ca 0.02 -0.17 0.09 0.00 0.21 0.00 0.00 52.86 53.00 1x5t s ASN 54 Cb -0.07 -1.08 -0.05 0.00 -0.55 0.00 0.00 41.25 39.50 1x5t s ASN 54 CO 0.01 0.25 0.08 -0.36 -2.79 0.00 0.00 177.10 174.29 1x5t s PHE 55 N -1.07 2.63 0.02 0.43 0.08 -1.26 -2.62 117.98 116.19 1x5t s PHE 55 Ca 0.19 -0.41 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 1x5t s PHE 55 Cb -0.11 -1.57 -0.18 0.00 -0.57 0.00 0.00 43.02 40.59 1x5t s PHE 55 CO 0.10 0.41 1.45 0.00 -0.10 0.00 0.00 175.22 177.08 1x5t h ALA 56 N 1.67 -0.03 -1.95 5.36 0.00 -1.62 -3.40 119.26 119.30 1x5t h ALA 56 Ca -0.43 -0.15 -0.50 0.00 0.00 0.00 0.00 54.91 53.83 1x5t h ALA 56 Cb 1.25 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1x5t h ALA 56 CO 0.65 -0.37 -0.54 -1.12 0.00 0.00 0.00 179.25 177.87 1x5t s SER 57 N -5.46 2.34 -0.06 0.00 0.01 -1.26 -4.44 113.70 104.83 1x5t s SER 57 Ca -0.15 -1.61 -0.27 0.00 1.31 0.00 0.00 55.95 55.24 1x5t s SER 57 Cb 0.03 0.40 -0.22 0.00 0.21 0.00 0.00 66.02 66.45 1x5t s SER 57 CO 0.66 -0.89 1.12 0.15 0.41 0.00 0.00 173.24 174.69 1x5t h PHE 58 N 1.96 -0.00 -0.96 2.43 3.57 -1.90 -3.25 116.94 118.78 1x5t h PHE 58 Ca -0.35 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.45 1x5t h PHE 58 Cb 1.26 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.83 1x5t h PHE 58 CO 1.27 0.62 0.21 -0.44 -2.23 0.00 0.00 178.31 177.75 1x5t h ASP 59 N -0.64 -0.15 -0.35 0.41 3.32 -2.00 0.51 116.42 117.52 1x5t h ASP 59 Ca -0.00 0.25 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1x5t h ASP 59 Cb 0.63 0.37 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1x5t h ASP 59 CO 0.00 -0.32 0.13 0.00 -1.72 0.00 0.00 179.24 177.33 1x5t h ALA 60 N 1.93 0.40 -0.85 3.45 0.00 -1.96 -2.23 119.26 120.01 1x5t h ALA 60 Ca 0.65 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.67 1x5t h ALA 60 Cb 1.45 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1x5t h ALA 60 CO -0.81 -0.27 0.51 0.77 0.00 0.00 0.00 179.25 179.45 1x5t h SER 61 N 0.28 0.78 -0.47 0.00 0.02 -0.06 -2.15 113.55 111.94 1x5t h SER 61 Ca 0.16 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1x5t h SER 61 Cb 0.12 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1x5t h SER 61 CO -0.16 0.47 0.00 0.44 -1.14 0.00 0.00 176.83 176.45 1x5t h ASP 62 N 0.90 -0.20 -0.33 3.07 3.32 -0.80 -0.34 116.42 122.04 1x5t h ASP 62 Ca 0.39 0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.62 1x5t h ASP 62 Cb 0.26 0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.92 1x5t h ASP 62 CO -0.20 -0.06 -0.27 0.00 -1.72 0.00 0.00 179.24 176.98 1x5t h ALA 63 N 1.42 -0.12 0.62 3.45 0.00 -1.22 -0.65 119.26 122.76 1x5t h ALA 63 Ca 0.24 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1x5t h ALA 63 Cb 0.35 0.58 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1x5t h ALA 63 CO -0.39 -0.68 -0.30 0.00 0.00 0.00 0.00 179.25 177.88 1x5t h ALA 64 N 0.83 -1.16 -0.79 0.00 0.00 -1.34 -1.72 119.26 115.08 1x5t h ALA 64 Ca 0.16 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.12 1x5t h ALA 64 Cb 0.49 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1x5t h ALA 64 CO -0.46 -1.10 1.00 0.82 0.00 0.00 0.00 179.25 179.51 1x5t h ILE 65 N -0.88 0.08 0.00 0.00 2.04 -0.93 1.54 117.51 119.36 1x5t h ILE 65 Ca -0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1x5t h ILE 65 Cb 0.64 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1x5t h ILE 65 CO 0.14 0.00 -0.03 -0.08 0.00 0.00 0.00 178.15 178.18 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.81 -0.67 -3.32 114.58 117.77 1x5t h GLU 66 Ca 0.37 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1x5t h GLU 66 Cb 2.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.74 1x5t h GLU 66 CO -0.00 0.70 -0.98 0.00 -0.73 0.00 0.00 179.01 178.00 1x5t n ALA 67 N -2.69 0.77 -0.34 2.92 0.00 0.97 -4.36 120.51 117.78 1x5t n ALA 67 Ca -0.08 -0.71 0.36 0.00 0.00 0.00 0.00 53.44 53.02 1x5t n ALA 67 Cb 0.34 0.01 0.73 0.00 0.00 0.00 0.00 19.45 20.53 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 0.00 -5.35 0.00 2.86 0.18 -3.19 114.93 108.43 1x5t h MET 68 Ca -0.07 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.37 1x5t h MET 68 Cb 0.91 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1x5t h MET 68 CO -0.04 0.00 0.63 1.21 1.06 0.00 0.00 176.91 179.77 1x5t s ASN 69 N -4.74 4.40 0.00 1.22 3.84 -0.81 -1.77 114.94 117.07 1x5t s ASN 69 Ca -0.05 -1.26 0.00 0.00 0.21 0.00 0.00 52.86 51.76 1x5t s ASN 69 Cb 0.22 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1x5t s ASN 69 CO 0.76 -3.71 0.00 0.61 -2.79 0.00 0.00 177.10 171.96 1x5t n GLY 70 N 6.05 2.08 3.67 1.21 0.00 -0.84 -4.87 105.19 112.49 1x5t n GLY 70 Ca 0.43 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.83 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 0.34 -2.05 1.61 6.02 -0.73 -4.52 117.38 118.05 1x5t n GLN 71 Ca 0.00 0.13 -0.39 0.00 -0.01 0.00 0.00 57.00 56.72 1x5t n GLN 71 Cb 0.00 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.55 1x5t n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1x5t s TYR 72 N 2.16 1.71 0.74 1.08 5.04 -1.26 -3.03 117.35 123.80 1x5t s TYR 72 Ca 0.98 0.76 -0.06 0.00 -2.44 0.00 0.00 57.07 56.32 1x5t s TYR 72 Cb -1.31 -4.11 0.11 0.00 0.35 0.00 0.00 41.96 37.00 1x5t s TYR 72 CO 0.69 -2.36 1.04 -1.17 -1.34 0.00 0.00 175.55 172.41 1x5t s LEU 73 N 8.69 2.90 -0.66 6.97 2.96 -0.79 -4.82 118.68 133.94 1x5t s LEU 73 Ca 0.68 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 54.60 1x5t s LEU 73 Cb -0.14 -2.53 -0.22 0.00 0.50 0.00 0.00 46.19 43.81 1x5t s LEU 73 CO 0.22 -1.86 1.45 0.00 -1.32 0.00 0.00 176.35 174.84 1x5t n ASN 75 N 3.91 -0.06 -3.15 0.00 4.13 -1.26 -4.55 115.26 114.28 1x5t n ASN 75 Ca 0.45 -1.25 0.05 0.00 1.68 0.00 0.00 54.58 55.50 1x5t n ASN 75 Cb 0.09 -1.68 -0.01 0.00 -1.54 0.00 0.00 39.78 36.63 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 -7.30 0.27 -0.43 3.52 0.52 0.15 -4.91 118.95 110.77 1x5t s ARG 76 Ca 0.28 0.39 -0.28 0.00 -0.52 0.00 0.00 55.73 55.59 1x5t s ARG 76 Cb -0.16 0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 1x5t s ARG 76 CO 1.00 -0.39 1.75 -1.25 0.02 0.00 0.00 175.30 176.43 1x5t s PRO 77 N 2.93 3.17 0.65 3.54 0.04 -1.26 -1.88 135.00 142.18 1x5t s PRO 77 Ca 0.12 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 1x5t s PRO 77 Cb -0.08 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.21 1x5t s PRO 77 CO -0.18 -2.07 1.05 0.96 0.04 0.00 0.00 177.00 176.81 1x5t s ILE 78 N 7.28 4.30 -0.15 0.56 -4.36 -1.17 -4.67 121.20 122.99 1x5t s ILE 78 Ca 0.73 0.74 -0.03 0.00 -0.26 0.00 0.00 60.65 61.83 1x5t s ILE 78 Cb -0.18 -3.74 0.05 0.00 1.25 0.00 0.00 42.46 39.84 1x5t s ILE 78 CO 0.30 -0.97 0.04 0.42 0.24 0.00 0.00 174.94 174.96 1x5t s THR 79 N -3.24 0.30 -0.13 8.37 -4.23 -1.11 -1.99 115.64 113.61 1x5t s THR 79 Ca 0.56 -0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 60.71 1x5t s THR 79 Cb -0.11 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 72.95 1x5t s THR 79 CO 0.53 -0.08 0.31 -0.69 -0.54 0.00 0.00 174.62 174.15 1x5t s VAL 80 N 1.98 5.27 0.03 2.29 1.01 -1.26 -3.01 120.40 126.71 1x5t s VAL 80 Ca 0.02 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 1x5t s VAL 80 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1x5t s VAL 80 CO -0.07 0.43 0.32 -0.55 0.00 0.00 0.00 175.10 175.24 1x5t s SER 81 N 0.12 -0.16 -0.54 3.32 0.15 -0.78 -4.69 113.70 111.12 1x5t s SER 81 Ca 0.18 -0.12 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 1x5t s SER 81 Cb -0.14 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1x5t s SER 81 CO 0.06 -0.60 1.68 -0.31 1.20 0.00 0.00 173.24 175.27 1x5t s TYR 82 N -2.36 1.91 -0.21 3.44 2.02 -1.26 -1.51 117.35 119.38 1x5t s TYR 82 Ca -0.06 0.62 -0.38 0.00 -0.37 0.00 0.00 57.07 56.88 1x5t s TYR 82 Cb -0.01 -4.21 -0.14 0.00 -0.40 0.00 0.00 41.96 37.19 1x5t s TYR 82 CO -0.02 -2.32 1.80 0.00 -1.57 0.00 0.00 175.55 173.45 1x5t n ALA 83 N 11.13 0.22 -1.53 3.71 0.00 -1.25 -4.79 120.51 128.00 1x5t n ALA 83 Ca 0.18 0.34 -0.49 0.00 0.00 0.00 0.00 53.44 53.47 1x5t n ALA 83 Cb 0.50 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 1x5t n ALA 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x5t n PHE 84 N 5.90 1.84 -4.09 0.00 3.01 -1.26 -4.94 117.46 117.92 1x5t n PHE 84 Ca 0.25 0.14 -0.34 0.00 1.01 0.00 0.00 57.45 58.51 1x5t n PHE 84 Cb 0.19 -2.60 -0.07 0.00 -0.01 0.00 0.00 39.48 36.99 1x5t n PHE 84 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1x5t s LYS 85 N 5.78 3.16 1.05 -1.08 1.02 -1.26 -5.10 119.74 123.32 1x5t s LYS 85 Ca 1.04 -0.38 -0.12 0.00 0.02 0.00 0.00 55.97 56.53 1x5t s LYS 85 Cb -0.71 -2.94 0.19 0.00 -0.52 0.00 0.00 37.83 33.85 1x5t s LYS 85 CO 0.47 0.69 0.90 1.63 -0.92 0.00 0.00 175.35 178.11 1x5t n LYS 86 N 1.49 -1.38 -3.64 1.68 5.02 -1.26 -5.05 118.16 115.02 1x5t n LYS 86 Ca -0.15 -0.36 -0.03 0.00 -2.02 0.00 0.00 58.31 55.75 1x5t n LYS 86 Cb 0.53 -2.17 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 1x5t n LYS 86 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x5t s ASP 87 N -2.39 -0.33 -0.47 4.39 -1.08 -1.26 -5.13 116.67 110.40 1x5t s ASP 87 Ca 0.65 0.57 -0.18 0.00 -0.52 0.00 0.00 52.55 53.07 1x5t s ASP 87 Cb -0.23 0.89 0.05 0.00 -1.46 0.00 0.00 42.92 42.18 1x5t s ASP 87 CO 0.63 -0.09 0.52 -0.55 0.52 0.00 0.00 175.17 176.19 1x5t s SER 88 N 0.77 6.20 -0.07 -0.34 0.15 -1.26 -5.03 113.70 114.13 1x5t s SER 88 Ca -0.03 -0.92 -0.13 0.00 0.70 0.00 0.00 55.95 55.57 1x5t s SER 88 Cb -0.04 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1x5t s SER 88 CO -0.12 -0.74 0.32 -0.75 1.20 0.00 0.00 173.24 173.15 1x5t s LYS 89 N 2.27 0.53 0.00 5.44 2.47 -1.26 -5.16 119.74 124.03 1x5t s LYS 89 Ca 0.12 0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.67 1x5t s LYS 89 Cb -0.20 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.42 1x5t s LYS 89 CO 0.11 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 175.92 1x5t n GLY 90 N 2.08 4.14 3.15 5.54 0.00 -1.26 -5.16 105.19 113.68 1x5t n GLY 90 Ca -0.17 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 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 1.77 -0.65 1.61 0.15 -1.26 -5.10 113.70 110.22 1x5t s SER 91 Ca 0.00 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.29 1x5t s SER 91 Cb 0.00 -0.14 0.16 0.00 -1.71 0.00 0.00 66.02 64.32 1x5t s SER 91 CO 0.00 0.09 0.43 -0.83 1.20 0.00 0.00 173.24 174.13 1x5t s GLY 92 N -0.90 2.81 1.06 9.45 0.00 -1.26 -5.10 107.32 113.38 1x5t s GLY 92 Ca 0.04 -3.69 -0.14 0.00 0.00 0.00 0.00 44.72 40.93 1x5t s GLY 92 CO 0.01 1.06 1.10 2.56 0.00 0.00 0.00 173.10 177.82 1x5t s PRO 93 N -1.13 -0.11 -0.13 2.90 0.04 -1.26 -5.07 135.00 130.24 1x5t s PRO 93 Ca 0.23 0.34 -0.01 0.00 0.04 0.00 0.00 61.00 61.59 1x5t s PRO 93 Cb -0.11 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1x5t s PRO 93 CO -0.12 -3.05 -0.02 -1.12 0.04 0.00 0.00 177.00 172.73 1x5t s SER 94 N -3.56 2.29 -0.06 6.66 0.01 -1.26 -5.13 113.70 112.65 1x5t s SER 94 Ca 0.67 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 57.41 1x5t s SER 94 Cb -0.16 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.37 1x5t s SER 94 CO 0.57 -0.21 0.24 -0.44 0.41 0.00 0.00 173.24 173.81 1x5t s SER 95 N 1.82 6.52 0.00 2.44 0.01 -1.26 -5.37 113.70 117.86 1x5t s SER 95 Ca 0.03 0.61 0.11 0.00 1.31 0.00 0.00 55.95 58.01 1x5t s SER 95 Cb -0.14 -2.12 0.09 0.00 0.21 0.00 0.00 66.02 64.06 1x5t s SER 95 CO -0.07 0.35 0.86 0.61 0.41 0.00 0.00 173.24 175.40