#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 0.00 -3.64 1.61 7.64 -1.26 -4.98 113.62 112.99 1x5t n SER 2 Ca 0.00 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1x5t n SER 2 Cb 0.00 -0.32 0.01 0.00 -1.01 0.00 0.00 64.21 62.88 1x5t n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5t s SER 3 N -2.41 -0.03 -0.36 6.43 0.15 -1.26 -5.09 113.70 111.13 1x5t s SER 3 Ca 0.00 -0.31 0.14 0.00 0.70 0.00 0.00 55.95 56.48 1x5t s SER 3 Cb 0.00 0.27 0.41 0.00 -1.71 0.00 0.00 66.02 64.99 1x5t s SER 3 CO 0.00 -0.52 1.03 0.61 1.20 0.00 0.00 173.24 175.57 1x5t n GLY 4 N -0.67 1.73 3.62 9.45 0.00 -1.26 -5.01 105.19 113.05 1x5t n GLY 4 Ca -0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.35 -0.06 -1.45 1.61 0.01 -1.26 -4.95 113.70 105.25 1x5t s SER 5 Ca 0.27 -0.93 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 1x5t s SER 5 Cb 0.41 0.61 0.01 0.00 0.21 0.00 0.00 66.02 67.26 1x5t s SER 5 CO -0.02 -1.18 0.37 -1.54 0.41 0.00 0.00 173.24 171.28 1x5t n SER 6 N -0.46 -0.30 -2.04 2.44 3.41 -1.26 -4.77 113.62 110.65 1x5t n SER 6 Ca -0.02 -1.05 -0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1x5t n SER 6 Cb 0.62 -2.80 0.00 0.00 -0.26 0.00 0.00 64.21 61.76 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 -2.04 -0.50 3.24 5.00 0.00 -1.26 -4.26 105.19 105.37 1x5t n GLY 7 Ca -0.29 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.64 -0.00 -0.16 -0.61 -4.36 0.43 -4.16 121.20 111.71 1x5t s ILE 8 Ca 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.34 1x5t s ILE 8 Cb -0.00 -0.49 -0.04 0.00 1.25 0.00 0.00 42.46 43.18 1x5t s ILE 8 CO 0.01 0.00 0.07 0.12 0.24 0.00 0.00 174.94 175.38 1x5t s PHE 9 N 0.19 3.31 -0.14 1.37 5.36 0.54 -2.14 117.98 126.46 1x5t s PHE 9 Ca -0.00 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 1x5t s PHE 9 Cb -0.02 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.65 1x5t s PHE 9 CO 0.00 0.31 -0.18 0.42 -1.46 0.00 0.00 175.22 174.31 1x5t s ILE 10 N -0.05 1.83 0.29 3.12 1.01 -0.68 -1.98 121.20 124.74 1x5t s ILE 10 Ca 0.07 -0.82 0.11 0.00 0.00 0.00 0.00 60.65 60.01 1x5t s ILE 10 Cb -0.12 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 1x5t s ILE 10 CO 0.01 0.50 -0.16 -0.83 0.00 0.00 0.00 174.94 174.46 1x5t s GLY 11 N 1.11 1.95 -0.70 6.18 0.00 -1.05 -0.16 107.32 114.64 1x5t s GLY 11 Ca -0.02 -1.93 -0.02 0.00 0.00 0.00 0.00 44.72 42.76 1x5t s GLY 11 CO -0.06 -1.97 0.60 -2.01 0.00 0.00 0.00 173.10 169.65 1x5t n ASN 12 N -0.66 -3.47 -4.55 1.64 5.15 -1.05 -2.15 115.26 110.17 1x5t n ASN 12 Ca -0.05 -0.42 -0.36 0.00 -0.60 0.00 0.00 54.58 53.16 1x5t n ASN 12 Cb 0.61 -3.43 -0.11 0.00 -0.53 0.00 0.00 39.78 36.32 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 -4.61 3.68 0.31 1.20 1.43 0.93 -3.76 118.68 117.87 1x5t s LEU 13 Ca 0.14 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 1x5t s LEU 13 Cb -0.02 -1.96 -0.13 0.00 0.03 0.00 0.00 46.19 44.11 1x5t s LEU 13 CO 0.46 0.07 1.14 -0.67 0.23 0.00 0.00 176.35 177.58 1x5t n ASP 14 N 4.26 1.99 0.02 2.29 -0.08 -1.26 -4.65 116.55 119.12 1x5t n ASP 14 Ca -0.16 1.19 0.07 0.00 -1.51 0.00 0.00 54.79 54.39 1x5t n ASP 14 Cb 0.52 -1.38 0.33 0.00 2.34 0.00 0.00 41.12 42.93 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 0.66 0.02 0.00 -0.67 -0.04 -1.26 -2.07 135.00 131.64 1x5t n PRO 15 Ca 0.07 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1x5t n PRO 15 Cb 0.34 -1.55 0.54 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.59 0.35 -3.48 0.54 -0.58 -1.26 -4.84 120.64 109.79 1x5t n GLU 16 Ca 0.03 -0.12 -0.37 0.00 -0.42 0.00 0.00 57.16 56.29 1x5t n GLU 16 Cb 0.17 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1x5t s ILE 17 N -2.73 4.99 0.22 -3.67 1.01 -0.88 -5.10 121.20 115.05 1x5t s ILE 17 Ca 0.21 0.76 0.11 0.00 0.00 0.00 0.00 60.65 61.73 1x5t s ILE 17 Cb 0.19 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1x5t s ILE 17 CO 0.54 0.43 -0.18 -1.81 0.00 0.00 0.00 174.94 173.92 1x5t s ASP 18 N -1.40 3.73 0.37 3.58 1.01 -1.26 -4.99 116.67 117.71 1x5t s ASP 18 Ca 0.29 -0.84 0.20 0.00 0.71 0.00 0.00 52.55 52.91 1x5t s ASP 18 Cb -0.16 -0.41 1.23 0.00 1.01 0.00 0.00 42.92 44.59 1x5t s ASP 18 CO 0.16 0.08 1.64 -0.33 0.21 0.00 0.00 175.17 176.94 1x5t h GLU 19 N 2.77 0.19 0.54 8.23 5.08 -1.99 -0.12 114.58 129.28 1x5t h GLU 19 Ca -0.44 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1x5t h GLU 19 Cb 1.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1x5t h GLU 19 CO 0.54 0.13 -0.44 0.87 -1.00 0.00 0.00 179.01 179.10 1x5t h LYS 20 N 0.20 -0.92 0.08 2.33 6.56 -1.95 -2.21 116.57 120.67 1x5t h LYS 20 Ca 0.77 0.06 0.01 0.00 -1.06 0.00 0.00 60.65 60.44 1x5t h LYS 20 Cb 2.00 0.21 -0.04 0.00 -0.57 0.00 0.00 32.23 33.83 1x5t h LYS 20 CO -0.58 -0.61 -0.48 1.25 -2.06 0.00 0.00 179.45 176.97 1x5t h LEU 21 N -0.95 -1.45 -0.90 2.94 5.85 -1.44 -2.15 115.31 117.21 1x5t h LEU 21 Ca -0.07 0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1x5t h LEU 21 Cb 0.80 0.54 -0.16 0.00 0.37 0.00 0.00 40.66 42.20 1x5t h LEU 21 CO 0.00 -0.49 -0.27 0.18 -0.34 0.00 0.00 178.44 177.52 1x5t n LEU 22 N -5.16 -0.41 -0.23 2.25 4.77 -0.88 0.00 117.00 117.35 1x5t n LEU 22 Ca -0.07 1.56 -0.07 0.00 -0.03 0.00 0.00 56.01 57.39 1x5t n LEU 22 Cb 0.37 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1x5t n LEU 22 CO 0.13 -1.46 0.58 0.22 -1.33 0.00 0.00 177.39 175.52 1x5t h TYR 23 N 0.00 -1.23 0.00 -1.77 5.03 -0.73 -0.23 116.97 118.04 1x5t h TYR 23 Ca 0.39 0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.79 1x5t h TYR 23 Cb 0.62 0.63 0.00 0.00 1.55 0.00 0.00 36.73 39.53 1x5t h TYR 23 CO -0.73 -0.41 -0.00 0.22 -1.32 0.00 0.00 178.16 175.92 1x5t h ASP 24 N -0.19 -0.00 -1.16 -2.11 3.58 -0.35 0.64 116.42 116.82 1x5t h ASP 24 Ca 0.20 -0.41 0.40 0.00 0.42 0.00 0.00 57.03 57.64 1x5t h ASP 24 Cb 0.56 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.47 1x5t h ASP 24 CO -0.72 0.41 0.71 0.74 -2.88 0.00 0.00 179.24 177.50 1x5t h THR 25 N -0.42 0.15 0.01 2.25 2.02 0.21 0.13 112.91 117.27 1x5t h THR 25 Ca -0.00 -0.05 -0.36 0.00 0.77 0.00 0.00 66.41 66.77 1x5t h THR 25 Cb 0.41 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.77 1x5t h THR 25 CO 0.00 0.03 -2.24 0.49 0.37 0.00 0.00 175.52 174.17 1x5t n PHE 26 N -4.90 0.33 -0.51 3.16 3.01 -0.17 -4.31 117.46 114.07 1x5t n PHE 26 Ca 0.36 0.10 0.42 0.00 1.01 0.00 0.00 57.45 59.33 1x5t n PHE 26 Cb 1.27 -1.05 0.71 0.00 -0.01 0.00 0.00 39.48 40.39 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 0.01 0.16 -0.09 4.37 0.87 0.31 0.24 113.55 119.42 1x5t h SER 27 Ca -0.49 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1x5t h SER 27 Cb 2.10 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 64.09 1x5t h SER 27 CO 0.02 -0.14 -0.31 0.00 -0.53 0.00 0.00 176.83 175.87 1x5t h ALA 28 N 1.44 -0.38 0.72 6.23 0.00 -1.68 -3.10 119.26 122.48 1x5t h ALA 28 Ca 0.85 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.73 1x5t h ALA 28 Cb 2.91 0.57 0.01 0.00 0.00 0.00 0.00 17.79 21.28 1x5t h ALA 28 CO -0.30 -0.80 -0.35 0.74 0.00 0.00 0.00 179.25 178.55 1x5t h PHE 29 N -0.41 -0.90 -3.56 0.00 0.04 -0.80 -3.47 116.94 107.83 1x5t h PHE 29 Ca 0.08 -0.02 -0.26 0.00 2.80 0.00 0.00 57.97 60.58 1x5t h PHE 29 Cb 0.54 0.30 -0.07 0.00 2.20 0.00 0.00 35.95 38.92 1x5t h PHE 29 CO -0.37 -0.56 -0.24 0.41 -0.60 0.00 0.00 178.31 176.94 1x5t n GLY 30 N -1.37 3.31 3.86 -1.45 0.00 -1.13 -4.98 105.19 103.42 1x5t n GLY 30 Ca -0.12 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1x5t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5t s VAL 31 N -2.75 5.07 -0.03 1.61 1.01 -1.26 -3.90 120.40 120.15 1x5t s VAL 31 Ca 0.22 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 1x5t s VAL 31 Cb 0.01 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1x5t s VAL 31 CO 0.16 0.37 0.41 -0.63 0.00 0.00 0.00 175.10 175.40 1x5t s ILE 32 N -1.31 5.07 -0.04 2.22 1.01 -1.26 -2.53 121.20 124.36 1x5t s ILE 32 Ca 0.31 0.83 -0.24 0.00 0.00 0.00 0.00 60.65 61.54 1x5t s ILE 32 Cb -0.15 -3.72 -0.19 0.00 0.01 0.00 0.00 42.46 38.42 1x5t s ILE 32 CO 0.17 0.54 1.07 -0.07 0.00 0.00 0.00 174.94 176.64 1x5t h LEU 33 N 5.09 -0.11 -7.70 2.97 3.38 -1.70 -3.46 115.31 113.78 1x5t h LEU 33 Ca -0.50 -0.45 -0.15 0.00 0.09 0.00 0.00 57.88 56.88 1x5t h LEU 33 Cb 1.21 0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.78 1x5t h LEU 33 CO 0.64 0.44 -0.47 -1.10 0.09 0.00 0.00 178.44 178.04 1x5t s GLN 34 N -3.81 0.47 0.05 1.13 -1.52 -1.26 -4.81 119.66 109.90 1x5t s GLN 34 Ca -0.15 -0.30 -0.26 0.00 -1.95 0.00 0.00 55.36 52.71 1x5t s GLN 34 Cb 0.01 0.20 -0.14 0.00 -0.22 0.00 0.00 33.01 32.86 1x5t s GLN 34 CO 0.59 -0.11 0.63 2.41 -0.25 0.00 0.00 175.29 178.56 1x5t n THR 35 N 1.61 0.47 -1.90 -0.19 -1.04 -1.26 -4.76 114.28 107.20 1x5t n THR 35 Ca -0.21 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.05 61.34 1x5t n THR 35 Cb 0.56 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.10 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 -0.23 2.96 -0.09 -2.82 0.04 -1.26 -5.00 135.00 128.60 1x5t s PRO 36 Ca 0.59 1.46 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1x5t s PRO 36 Cb -0.83 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 1x5t s PRO 36 CO 0.40 -1.13 -0.14 0.15 0.04 0.00 0.00 177.00 176.32 1x5t s LYS 37 N -3.85 2.93 -0.10 4.56 1.02 -0.83 -4.90 119.74 118.57 1x5t s LYS 37 Ca 0.69 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 56.02 1x5t s LYS 37 Cb -0.22 -2.50 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1x5t s LYS 37 CO 0.37 0.43 -0.22 0.42 -0.92 0.00 0.00 175.35 175.42 1x5t s ILE 38 N -0.21 2.22 0.46 2.17 1.01 -1.26 -0.39 121.20 125.19 1x5t s ILE 38 Ca 0.01 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.45 1x5t s ILE 38 Cb -0.13 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 1x5t s ILE 38 CO 0.03 0.56 1.18 -0.04 0.00 0.00 0.00 174.94 176.67 1x5t s MET 39 N 0.23 3.73 0.21 2.79 -1.94 -0.91 -4.94 119.30 118.46 1x5t s MET 39 Ca -0.14 1.81 -0.01 0.00 -1.71 0.00 0.00 55.69 55.63 1x5t s MET 39 Cb -0.17 -2.41 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 1x5t s MET 39 CO 0.07 -0.58 0.16 1.03 -0.01 0.00 0.00 175.02 175.69 1x5t s ARG 40 N -2.69 1.25 -0.38 2.03 0.52 -1.26 -0.62 118.95 117.79 1x5t s ARG 40 Ca 0.64 -1.63 -0.14 0.00 -0.52 0.00 0.00 55.73 54.08 1x5t s ARG 40 Cb -0.29 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.47 1x5t s ARG 40 CO 0.36 -0.42 0.27 -0.51 0.02 0.00 0.00 175.30 175.02 1x5t s ASP 41 N -3.16 6.03 0.00 0.23 1.01 0.14 -4.65 116.67 116.27 1x5t s ASP 41 Ca 0.38 -0.77 0.11 0.00 0.71 0.00 0.00 52.55 52.98 1x5t s ASP 41 Cb 0.06 -2.13 0.68 0.00 1.01 0.00 0.00 42.92 42.54 1x5t s ASP 41 CO 0.13 -0.38 1.11 -0.81 0.21 0.00 0.00 175.17 175.43 1x5t n PRO 42 N 5.12 0.49 -0.09 8.23 -0.04 -1.26 0.12 135.00 147.56 1x5t n PRO 42 Ca -0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.21 1x5t n PRO 42 Cb 0.48 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.86 1.89 -0.00 3.54 8.00 -1.26 -4.66 116.55 123.19 1x5t n ASP 43 Ca 0.09 0.45 0.07 0.00 0.71 0.00 0.00 54.79 56.11 1x5t n ASP 43 Cb 0.04 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 40.21 1x5t n ASP 43 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1x5t n THR 44 N -4.47 0.00 -2.80 -3.53 -2.24 -1.20 -5.01 114.28 95.04 1x5t n THR 44 Ca -0.22 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 1x5t n THR 44 Cb 0.53 0.92 0.03 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.38 0.34 3.43 3.38 0.00 0.33 -5.04 105.19 109.01 1x5t n GLY 45 Ca 0.02 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.21 3.49 0.17 1.61 2.47 -1.21 -4.84 114.94 113.42 1x5t s ASN 46 Ca 0.16 -0.77 -0.34 0.00 0.42 0.00 0.00 52.86 52.33 1x5t s ASN 46 Cb -0.07 -0.30 -0.14 0.00 -1.45 0.00 0.00 41.25 39.29 1x5t s ASN 46 CO 0.27 0.15 1.59 -1.20 -3.72 0.00 0.00 177.10 174.18 1x5t n SER 47 N 0.57 3.17 0.08 -4.21 7.64 -1.26 0.28 113.62 119.89 1x5t n SER 47 Ca -0.15 1.08 -0.03 0.00 1.01 0.00 0.00 58.87 60.78 1x5t n SER 47 Cb 0.54 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.29 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 5.93 -0.20 0.00 1.43 1.79 -1.13 -3.44 116.57 120.94 1x5t h LYS 48 Ca -0.45 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1x5t h LYS 48 Cb 1.25 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1x5t h LYS 48 CO 0.89 -0.13 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 1x5t n GLY 49 N -0.50 0.82 3.55 3.86 0.00 -1.26 -5.02 105.19 106.63 1x5t n GLY 49 Ca -0.03 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 2.64 0.17 1.61 1.13 -1.26 -0.05 117.35 121.60 1x5t s TYR 50 Ca 0.00 -0.21 0.01 0.00 -1.41 0.00 0.00 57.07 55.46 1x5t s TYR 50 Cb 0.00 -1.36 -0.04 0.00 -1.10 0.00 0.00 41.96 39.45 1x5t s TYR 50 CO 0.00 0.44 0.04 0.00 -2.51 0.00 0.00 175.55 173.51 1x5t s ALA 51 N -1.32 1.23 -0.03 9.51 0.00 0.77 -2.15 121.76 129.79 1x5t s ALA 51 Ca 0.21 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.65 1x5t s ALA 51 Cb -0.10 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1x5t s ALA 51 CO 0.13 -0.41 -0.26 -0.06 0.00 0.00 0.00 175.76 175.17 1x5t s PHE 52 N -3.82 2.34 -0.04 0.00 0.08 0.47 -1.69 117.98 115.31 1x5t s PHE 52 Ca 0.27 -0.49 -0.08 0.00 0.12 0.00 0.00 56.93 56.76 1x5t s PHE 52 Cb 0.07 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1x5t s PHE 52 CO 0.05 -0.07 0.18 0.42 -0.10 0.00 0.00 175.22 175.70 1x5t s ILE 53 N -0.53 0.03 -0.07 0.64 1.01 -0.91 -1.96 121.20 119.41 1x5t s ILE 53 Ca 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1x5t s ILE 53 Cb -0.11 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 42.02 1x5t s ILE 53 CO -0.00 -0.16 -0.14 0.20 0.00 0.00 0.00 174.94 174.84 1x5t s ASN 54 N -0.54 1.97 0.74 3.58 -0.87 -1.26 -0.43 114.94 118.13 1x5t s ASN 54 Ca -0.06 -0.34 -0.03 0.00 -1.57 0.00 0.00 52.86 50.86 1x5t s ASN 54 Cb -0.04 -0.91 0.13 0.00 -0.02 0.00 0.00 41.25 40.41 1x5t s ASN 54 CO 0.01 0.05 1.02 -0.36 -2.57 0.00 0.00 177.10 175.25 1x5t s PHE 55 N 0.63 1.72 -0.17 2.20 0.40 -1.26 -2.34 117.98 119.16 1x5t s PHE 55 Ca -0.15 -0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 55.79 1x5t s PHE 55 Cb -0.16 -3.11 -0.23 0.00 0.51 0.00 0.00 43.02 40.03 1x5t s PHE 55 CO 0.04 -1.75 0.47 0.00 0.70 0.00 0.00 175.22 174.68 1x5t h ALA 56 N -0.62 0.16 -3.52 5.36 0.00 -1.82 -3.41 119.26 115.41 1x5t h ALA 56 Ca -0.38 -0.95 -0.66 0.00 0.00 0.00 0.00 54.91 52.92 1x5t h ALA 56 Cb 1.27 0.44 -0.16 0.00 0.00 0.00 0.00 17.79 19.33 1x5t h ALA 56 CO 0.42 0.48 -0.76 -1.54 0.00 0.00 0.00 179.25 177.85 1x5t s SER 57 N -6.67 4.20 0.14 0.00 1.04 -1.26 -5.04 113.70 106.11 1x5t s SER 57 Ca -0.24 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.53 1x5t s SER 57 Cb 0.03 -0.72 0.01 0.00 0.10 0.00 0.00 66.02 65.43 1x5t s SER 57 CO 0.66 0.16 1.75 -0.26 0.98 0.00 0.00 173.24 176.53 1x5t h PHE 58 N 3.53 0.18 -0.92 5.02 -1.00 -1.91 -2.30 116.94 119.53 1x5t h PHE 58 Ca -0.49 0.01 0.27 0.00 2.81 0.00 0.00 57.97 60.57 1x5t h PHE 58 Cb 1.17 -0.04 -0.15 0.00 3.61 0.00 0.00 35.95 40.55 1x5t h PHE 58 CO 0.61 0.08 0.31 -0.44 -1.61 0.00 0.00 178.31 177.26 1x5t h ASP 59 N 0.22 0.09 -0.26 2.17 3.32 -1.99 0.18 116.42 120.15 1x5t h ASP 59 Ca 0.12 0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.43 1x5t h ASP 59 Cb 0.09 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 1x5t h ASP 59 CO -0.13 -0.18 -0.06 0.00 -1.72 0.00 0.00 179.24 177.15 1x5t h ALA 60 N 1.82 0.18 -0.59 3.45 0.00 -1.79 -1.04 119.26 121.28 1x5t h ALA 60 Ca 0.61 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.69 1x5t h ALA 60 Cb 1.30 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1x5t h ALA 60 CO -0.67 -0.47 0.39 1.03 0.00 0.00 0.00 179.25 179.53 1x5t h SER 61 N 0.00 0.47 0.03 0.00 0.87 -0.66 -2.29 113.55 111.97 1x5t h SER 61 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1x5t h SER 61 Cb 0.19 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1x5t h SER 61 CO -0.27 0.30 -0.01 -0.78 -0.53 0.00 0.00 176.83 175.54 1x5t h ASP 62 N 0.53 -0.03 -0.35 6.23 3.58 -0.68 -2.44 116.42 123.26 1x5t h ASP 62 Ca 0.26 -0.19 0.07 0.00 0.42 0.00 0.00 57.03 57.59 1x5t h ASP 62 Cb 0.34 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.31 1x5t h ASP 62 CO -0.08 0.17 -0.37 0.00 -2.88 0.00 0.00 179.24 176.08 1x5t h ALA 63 N 0.74 -0.33 0.24 -0.78 0.00 -0.80 -0.28 119.26 118.04 1x5t h ALA 63 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x5t h ALA 63 Cb 0.22 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1x5t h ALA 63 CO 0.01 -0.81 -0.27 0.00 0.00 0.00 0.00 179.25 178.18 1x5t h ALA 64 N 0.54 -0.94 -0.45 0.00 0.00 -1.51 -0.52 119.26 116.38 1x5t h ALA 64 Ca 0.14 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1x5t h ALA 64 Cb 0.57 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1x5t h ALA 64 CO -0.52 -0.96 0.77 0.82 0.00 0.00 0.00 179.25 179.35 1x5t h ILE 65 N -0.51 0.11 0.02 0.00 2.04 -1.19 1.66 117.51 119.64 1x5t h ILE 65 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1x5t h ILE 65 Cb 0.45 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1x5t h ILE 65 CO -0.05 0.00 -0.14 -0.08 0.00 0.00 0.00 178.15 177.88 1x5t h GLU 66 N 0.00 0.06 0.00 2.37 4.81 0.30 -3.33 114.58 118.79 1x5t h GLU 66 Ca 0.21 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1x5t h GLU 66 Cb 1.75 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 1x5t h GLU 66 CO -0.00 1.02 -1.00 0.00 -0.73 0.00 0.00 179.01 178.30 1x5t n ALA 67 N -2.61 1.28 -0.36 2.92 0.00 0.90 -4.54 120.51 118.09 1x5t n ALA 67 Ca -0.11 -0.71 0.28 0.00 0.00 0.00 0.00 53.44 52.91 1x5t n ALA 67 Cb 0.53 0.08 0.57 0.00 0.00 0.00 0.00 19.45 20.64 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 -0.83 0.26 -5.07 0.00 2.86 0.21 -3.25 114.93 109.11 1x5t h MET 68 Ca -0.07 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1x5t h MET 68 Cb 0.91 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1x5t h MET 68 CO -0.04 0.17 0.15 -1.71 1.06 0.00 0.00 176.91 176.54 1x5t n ASN 69 N -4.62 0.92 0.00 1.22 2.85 -0.58 -0.14 115.26 114.92 1x5t n ASN 69 Ca 0.29 -2.36 0.00 0.00 -0.11 0.00 0.00 54.58 52.40 1x5t n ASN 69 Cb 1.09 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 40.54 1x5t n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5t n GLY 70 N 5.91 1.75 3.56 8.20 0.00 -0.94 -4.87 105.19 118.80 1x5t n GLY 70 Ca 0.36 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.80 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 0.33 -2.39 1.61 1.13 0.81 -4.54 117.38 114.33 1x5t n GLN 71 Ca 0.00 0.12 -0.40 0.00 -1.94 0.00 0.00 57.00 54.78 1x5t n GLN 71 Cb 0.00 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.66 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 0.57 2.10 0.73 1.08 5.04 -1.26 -2.64 117.35 122.97 1x5t s TYR 72 Ca 0.91 0.16 -0.05 0.00 -2.44 0.00 0.00 57.07 55.65 1x5t s TYR 72 Cb -1.21 -4.46 0.11 0.00 0.35 0.00 0.00 41.96 36.75 1x5t s TYR 72 CO 0.57 -2.13 1.03 -1.17 -1.34 0.00 0.00 175.55 172.52 1x5t s LEU 73 N 6.80 2.92 -0.55 6.97 2.96 -0.77 -4.81 118.68 132.20 1x5t s LEU 73 Ca 0.46 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 54.38 1x5t s LEU 73 Cb -0.09 -2.52 -0.18 0.00 0.50 0.00 0.00 46.19 43.90 1x5t s LEU 73 CO 0.14 -1.83 1.19 0.00 -1.32 0.00 0.00 176.35 174.54 1x5t n ASN 75 N 3.17 0.74 -3.15 0.00 4.13 -1.26 -4.59 115.26 114.29 1x5t n ASN 75 Ca 0.37 -1.22 0.05 0.00 1.68 0.00 0.00 54.58 55.46 1x5t n ASN 75 Cb 0.07 -1.52 -0.01 0.00 -1.54 0.00 0.00 39.78 36.79 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 -7.17 0.25 -0.55 3.52 0.52 0.18 -4.94 118.95 110.76 1x5t s ARG 76 Ca 0.05 0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 55.37 1x5t s ARG 76 Cb -0.03 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 1x5t s ARG 76 CO 0.96 -0.33 1.82 -1.25 0.02 0.00 0.00 175.30 176.52 1x5t s PRO 77 N 2.93 2.81 0.80 3.54 0.04 -1.26 -1.84 135.00 142.02 1x5t s PRO 77 Ca 0.09 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 61.80 1x5t s PRO 77 Cb -0.09 -4.33 0.07 0.00 0.04 0.00 0.00 34.50 30.19 1x5t s PRO 77 CO -0.16 -2.50 1.10 0.96 0.04 0.00 0.00 177.00 176.44 1x5t s ILE 78 N 8.46 2.97 -0.02 0.56 -4.36 -1.08 -4.72 121.20 123.02 1x5t s ILE 78 Ca 0.69 0.32 0.01 0.00 -0.26 0.00 0.00 60.65 61.40 1x5t s ILE 78 Cb -0.14 -3.11 0.02 0.00 1.25 0.00 0.00 42.46 40.48 1x5t s ILE 78 CO 0.24 -0.41 -0.01 0.28 0.24 0.00 0.00 174.94 175.27 1x5t s THR 79 N -3.21 0.20 -0.18 8.37 -1.32 -0.92 -2.22 115.64 116.36 1x5t s THR 79 Ca 0.61 0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 61.06 1x5t s THR 79 Cb -0.14 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 1x5t s THR 79 CO 0.54 0.11 -0.05 -0.69 -2.21 0.00 0.00 174.62 172.32 1x5t s VAL 80 N 0.61 3.59 -0.20 5.08 1.01 -1.26 -2.53 120.40 126.71 1x5t s VAL 80 Ca -0.06 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1x5t s VAL 80 Cb -0.09 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.75 1x5t s VAL 80 CO -0.01 0.46 0.51 -0.44 0.00 0.00 0.00 175.10 175.62 1x5t s SER 81 N 0.86 -0.59 -0.24 3.32 0.01 -0.84 -4.73 113.70 111.49 1x5t s SER 81 Ca -0.01 1.07 -0.37 0.00 1.31 0.00 0.00 55.95 57.95 1x5t s SER 81 Cb -0.15 1.03 -0.13 0.00 0.21 0.00 0.00 66.02 66.98 1x5t s SER 81 CO 0.01 -0.19 1.92 -1.22 0.41 0.00 0.00 173.24 174.17 1x5t n TYR 82 N 3.44 2.02 -1.23 2.43 4.01 -1.26 -0.34 117.16 126.23 1x5t n TYR 82 Ca -0.17 0.28 -0.28 0.00 -0.16 0.00 0.00 57.90 57.57 1x5t n TYR 82 Cb 0.56 -2.55 -0.15 0.00 -0.31 0.00 0.00 39.34 36.90 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 7.07 0.50 -1.58 -0.72 0.00 -1.26 -4.75 120.51 119.77 1x5t n ALA 83 Ca 0.29 -0.40 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 1x5t n ALA 83 Cb 0.21 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 1x5t n ALA 83 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1x5t n PHE 84 N 7.09 1.12 -3.61 0.00 -1.74 -1.26 -4.99 117.46 114.07 1x5t n PHE 84 Ca 0.55 0.70 -0.01 0.00 -0.56 0.00 0.00 57.45 58.13 1x5t n PHE 84 Cb 0.06 -2.23 -0.04 0.00 1.52 0.00 0.00 39.48 38.79 1x5t n PHE 84 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1x5t s LYS 85 N -1.58 0.57 -0.25 3.97 1.02 -1.26 -5.14 119.74 117.07 1x5t s LYS 85 Ca 0.59 1.41 -0.14 0.00 0.02 0.00 0.00 55.97 57.85 1x5t s LYS 85 Cb -0.69 0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 1x5t s LYS 85 CO 0.59 -0.23 0.34 0.21 -0.92 0.00 0.00 175.35 175.34 1x5t s LYS 86 N 2.89 4.06 0.31 1.68 2.36 -1.26 -5.08 119.74 124.70 1x5t s LYS 86 Ca -0.04 0.01 0.07 0.00 -2.55 0.00 0.00 55.97 53.46 1x5t s LYS 86 Cb -0.12 -3.61 -0.03 0.00 -1.05 0.00 0.00 37.83 33.02 1x5t s LYS 86 CO -0.19 -0.16 0.30 0.34 1.55 0.00 0.00 175.35 177.19 1x5t s ASP 87 N 1.42 5.55 0.73 1.43 2.15 -1.26 -5.12 116.67 121.56 1x5t s ASP 87 Ca 0.14 -0.33 -0.11 0.00 0.43 0.00 0.00 52.55 52.68 1x5t s ASP 87 Cb -0.15 -1.20 0.04 0.00 -0.30 0.00 0.00 42.92 41.30 1x5t s ASP 87 CO 0.09 -0.26 1.10 -0.55 -0.17 0.00 0.00 175.17 175.38 1x5t s SER 88 N -3.98 5.15 -0.04 -0.34 0.15 -1.26 -5.09 113.70 108.29 1x5t s SER 88 Ca 0.39 0.95 0.01 0.00 0.70 0.00 0.00 55.95 58.01 1x5t s SER 88 Cb -0.07 -1.67 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1x5t s SER 88 CO 0.27 -1.49 -0.05 -0.54 1.20 0.00 0.00 173.24 172.63 1x5t s LYS 89 N -5.38 0.82 -0.19 5.44 -0.14 -1.26 -5.04 119.74 113.99 1x5t s LYS 89 Ca 0.59 -0.13 -0.10 0.00 -1.36 0.00 0.00 55.97 54.97 1x5t s LYS 89 Cb -0.11 -0.81 -0.21 0.00 -1.68 0.00 0.00 37.83 35.02 1x5t s LYS 89 CO 0.50 -0.05 0.13 0.41 -0.76 0.00 0.00 175.35 175.57 1x5t n GLY 90 N 3.92 -0.58 3.97 -3.33 0.00 -1.26 -5.00 105.19 102.91 1x5t n GLY 90 Ca -0.25 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1x5t n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5t n SER 91 N -3.79 -1.26 -4.84 1.61 7.64 -1.26 -4.93 113.62 106.79 1x5t n SER 91 Ca -0.37 -1.08 -0.35 0.00 1.01 0.00 0.00 58.87 58.08 1x5t n SER 91 Cb 0.92 -2.77 -0.06 0.00 -1.01 0.00 0.00 64.21 61.29 1x5t n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5t s GLY 92 N -4.16 2.46 0.95 0.23 0.00 -1.26 -5.08 107.32 100.47 1x5t s GLY 92 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 1x5t s GLY 92 CO 0.91 0.19 1.09 2.56 0.00 0.00 0.00 173.10 177.85 1x5t s PRO 93 N -2.12 0.83 -0.09 2.90 0.04 -1.26 -5.09 135.00 130.22 1x5t s PRO 93 Ca 0.41 0.67 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 1x5t s PRO 93 Cb -0.15 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.69 1x5t s PRO 93 CO 0.20 -2.49 0.64 -1.12 0.04 0.00 0.00 177.00 174.26 1x5t s SER 94 N -3.44 -0.62 0.52 6.66 0.01 -1.26 -5.15 113.70 110.42 1x5t s SER 94 Ca 0.64 0.80 -0.19 0.00 1.31 0.00 0.00 55.95 58.52 1x5t s SER 94 Cb -0.18 0.70 -0.12 0.00 0.21 0.00 0.00 66.02 66.64 1x5t s SER 94 CO 0.57 -0.51 0.31 -1.20 0.41 0.00 0.00 173.24 172.82 1x5t n SER 95 N 1.35 -1.90 0.00 2.44 7.64 -1.26 -5.35 113.62 116.54 1x5t n SER 95 Ca -0.18 0.74 0.13 0.00 1.01 0.00 0.00 58.87 60.57 1x5t n SER 95 Cb 0.57 -1.05 0.75 0.00 -1.01 0.00 0.00 64.21 63.46 1x5t n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64