#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 6.97 -0.50 1.61 0.01 -1.26 -5.00 113.70 115.53 1x5t s SER 2 Ca 0.00 -2.91 -0.22 0.00 1.31 0.00 0.00 55.95 54.14 1x5t s SER 2 Cb 0.00 -2.28 0.04 0.00 0.21 0.00 0.00 66.02 63.99 1x5t s SER 2 CO 0.00 -0.61 0.76 -0.55 0.41 0.00 0.00 173.24 173.25 1x5t s SER 3 N 2.31 6.31 0.00 2.44 0.15 -1.26 -4.62 113.70 119.04 1x5t s SER 3 Ca 0.29 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1x5t s SER 3 Cb -0.08 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1x5t s SER 3 CO -0.07 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 173.99 1x5t n GLY 4 N 5.10 -0.11 3.57 9.45 0.00 -1.26 -4.45 105.19 117.48 1x5t n GLY 4 Ca -0.01 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 6.74 -0.42 1.61 0.01 -1.26 -4.77 113.70 115.61 1x5t s SER 5 Ca 0.00 -2.17 0.02 0.00 1.31 0.00 0.00 55.95 55.11 1x5t s SER 5 Cb 0.00 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.79 1x5t s SER 5 CO 0.00 -1.26 0.25 -0.44 0.41 0.00 0.00 173.24 172.19 1x5t s SER 6 N 4.43 3.35 0.10 2.44 0.01 -1.26 -5.12 113.70 117.65 1x5t s SER 6 Ca 0.52 -2.57 -0.18 0.00 1.31 0.00 0.00 55.95 55.03 1x5t s SER 6 Cb 0.03 -0.83 -0.07 0.00 0.21 0.00 0.00 66.02 65.36 1x5t s SER 6 CO 0.03 -0.27 0.56 -0.83 0.41 0.00 0.00 173.24 173.14 1x5t s GLY 7 N 0.48 2.60 -0.03 3.44 0.00 -1.26 -3.40 107.32 109.15 1x5t s GLY 7 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.90 1x5t s GLY 7 CO -0.01 0.36 -0.04 -0.26 0.00 0.00 0.00 173.10 173.14 1x5t s ILE 8 N -1.23 3.91 -0.12 0.90 -4.36 0.81 -3.25 121.20 117.86 1x5t s ILE 8 Ca 0.32 -0.58 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 1x5t s ILE 8 Cb -0.18 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 40.80 1x5t s ILE 8 CO 0.19 0.47 0.27 0.12 0.24 0.00 0.00 174.94 176.23 1x5t s PHE 9 N -0.96 3.54 -0.03 1.37 2.19 -0.79 -2.13 117.98 121.16 1x5t s PHE 9 Ca 0.16 0.64 0.03 0.00 0.33 0.00 0.00 56.93 58.09 1x5t s PHE 9 Cb -0.11 -2.24 0.00 0.00 -1.31 0.00 0.00 43.02 39.36 1x5t s PHE 9 CO 0.06 0.42 -0.13 0.42 1.83 0.00 0.00 175.22 177.82 1x5t s ILE 10 N -0.13 1.07 0.17 3.12 1.01 -0.55 -1.89 121.20 123.99 1x5t s ILE 10 Ca 0.17 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1x5t s ILE 10 Cb -0.13 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1x5t s ILE 10 CO 0.05 0.32 -0.01 -0.83 0.00 0.00 0.00 174.94 174.47 1x5t s GLY 11 N 0.13 1.19 -0.55 6.18 0.00 -1.20 -0.13 107.32 112.95 1x5t s GLY 11 Ca -0.04 -1.57 -0.02 0.00 0.00 0.00 0.00 44.72 43.09 1x5t s GLY 11 CO 0.01 -1.54 0.47 -2.01 0.00 0.00 0.00 173.10 170.03 1x5t n ASN 12 N -0.23 -2.91 -4.70 1.64 5.15 -0.09 -3.02 115.26 111.11 1x5t n ASN 12 Ca -0.07 -0.25 -0.37 0.00 -0.60 0.00 0.00 54.58 53.29 1x5t n ASN 12 Cb 0.63 -2.47 -0.08 0.00 -0.53 0.00 0.00 39.78 37.33 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 -3.80 4.19 0.31 1.20 1.43 0.33 -4.26 118.68 118.07 1x5t s LEU 13 Ca 0.12 0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 1x5t s LEU 13 Cb -0.05 -2.40 -0.13 0.00 0.03 0.00 0.00 46.19 43.64 1x5t s LEU 13 CO 0.31 0.02 1.20 -0.67 0.23 0.00 0.00 176.35 177.45 1x5t n ASP 14 N 4.03 2.21 0.00 2.29 -0.08 -1.26 -4.70 116.55 119.04 1x5t n ASP 14 Ca -0.11 1.19 0.07 0.00 -1.51 0.00 0.00 54.79 54.44 1x5t n ASP 14 Cb 0.52 -1.40 0.41 0.00 2.34 0.00 0.00 41.12 42.99 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 0.82 0.34 0.00 -0.67 -0.04 -1.26 -1.92 135.00 132.28 1x5t n PRO 15 Ca 0.07 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1x5t n PRO 15 Cb 0.34 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.15 0.55 -2.77 0.54 -0.58 -1.26 -4.92 120.64 111.06 1x5t n GLU 16 Ca 0.09 -0.40 -0.40 0.00 -0.42 0.00 0.00 57.16 56.03 1x5t n GLU 16 Cb 0.09 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.41 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 -2.72 4.24 0.05 -3.67 1.01 -0.81 -5.06 121.20 114.24 1x5t s ILE 17 Ca 0.16 2.04 0.06 0.00 0.00 0.00 0.00 60.65 62.92 1x5t s ILE 17 Cb 0.18 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1x5t s ILE 17 CO 0.65 0.44 -0.14 1.51 0.00 0.00 0.00 174.94 177.40 1x5t s ASP 18 N -0.79 4.08 0.16 3.58 1.47 -1.26 -4.99 116.67 118.92 1x5t s ASP 18 Ca 0.42 -0.37 -0.11 0.00 1.18 0.00 0.00 52.55 53.67 1x5t s ASP 18 Cb -0.25 -0.74 0.18 0.00 -0.34 0.00 0.00 42.92 41.76 1x5t s ASP 18 CO 0.31 0.24 1.06 -0.62 0.68 0.00 0.00 175.17 176.84 1x5t n GLU 19 N 1.35 -0.15 -0.13 2.11 4.71 -1.26 0.94 120.64 128.21 1x5t n GLU 19 Ca -0.15 1.06 -0.07 0.00 -0.01 0.00 0.00 57.16 57.98 1x5t n GLU 19 Cb 0.52 -1.57 -0.01 0.00 -1.01 0.00 0.00 31.44 29.37 1x5t n GLU 19 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1x5t h LYS 20 N 0.00 -0.23 0.00 3.49 1.63 -1.96 -1.43 116.57 118.07 1x5t h LYS 20 Ca 0.25 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1x5t h LYS 20 Cb 0.42 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1x5t h LYS 20 CO -0.68 -0.16 0.00 -0.11 -3.45 0.00 0.00 179.45 175.05 1x5t n LEU 21 N -5.42 0.00 -0.32 5.20 7.94 0.27 -2.26 117.00 122.41 1x5t n LEU 21 Ca 0.01 0.98 -0.01 0.00 -1.11 0.00 0.00 56.01 55.89 1x5t n LEU 21 Cb 0.34 -0.48 0.04 0.00 0.53 0.00 0.00 43.42 43.84 1x5t n LEU 21 CO 0.06 -0.48 0.49 0.18 -1.11 0.00 0.00 177.39 176.53 1x5t n LEU 22 N -2.39 -0.54 -0.31 -1.96 4.77 -0.98 0.16 117.00 115.76 1x5t n LEU 22 Ca 0.00 1.47 0.15 0.00 -0.03 0.00 0.00 56.01 57.60 1x5t n LEU 22 Cb 0.00 -0.34 0.33 0.00 -2.33 0.00 0.00 43.42 41.08 1x5t n LEU 22 CO 0.00 -1.32 1.01 0.22 -1.33 0.00 0.00 177.39 175.97 1x5t h TYR 23 N 0.00 0.57 0.03 -1.77 5.03 -0.93 -0.77 116.97 119.14 1x5t h TYR 23 Ca 0.30 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.65 1x5t h TYR 23 Cb 0.51 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1x5t h TYR 23 CO -0.74 -0.14 -0.02 -0.44 -1.32 0.00 0.00 178.16 175.51 1x5t h ASP 24 N 0.31 -0.04 -1.48 -2.11 3.32 0.20 0.14 116.42 116.77 1x5t h ASP 24 Ca 0.58 -0.59 0.46 0.00 0.02 0.00 0.00 57.03 57.50 1x5t h ASP 24 Cb 1.18 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 1x5t h ASP 24 CO -0.59 0.72 1.00 0.74 -1.72 0.00 0.00 179.24 179.39 1x5t h THR 25 N -0.95 0.12 0.03 0.35 2.02 0.26 0.35 112.91 115.09 1x5t h THR 25 Ca -0.00 -0.02 -0.39 0.00 0.77 0.00 0.00 66.41 66.77 1x5t h THR 25 Cb 0.63 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1x5t h THR 25 CO 0.01 0.01 -2.29 0.49 0.37 0.00 0.00 175.52 174.11 1x5t n PHE 26 N -4.45 0.39 -0.24 3.16 3.01 -0.36 -4.39 117.46 114.57 1x5t n PHE 26 Ca 0.38 0.10 0.19 0.00 1.01 0.00 0.00 57.45 59.13 1x5t n PHE 26 Cb 1.56 -1.05 0.35 0.00 -0.01 0.00 0.00 39.48 40.34 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 -3.56 0.14 -0.24 4.37 2.88 0.50 0.59 113.62 118.29 1x5t n SER 27 Ca -0.43 1.21 -0.07 0.00 -1.33 0.00 0.00 58.87 58.25 1x5t n SER 27 Cb 0.97 -0.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.45 -0.21 0.91 -1.46 0.00 -1.70 -2.26 119.26 115.99 1x5t h ALA 28 Ca 0.55 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.57 1x5t h ALA 28 Cb 1.38 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1x5t h ALA 28 CO -0.60 -0.77 -0.48 0.74 0.00 0.00 0.00 179.25 178.14 1x5t h PHE 29 N -0.17 -1.26 -1.89 0.00 0.04 -0.14 -3.47 116.94 110.04 1x5t h PHE 29 Ca 0.21 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1x5t h PHE 29 Cb 0.56 0.43 0.00 0.00 2.20 0.00 0.00 35.95 39.14 1x5t h PHE 29 CO -0.73 -0.75 0.00 0.41 -0.60 0.00 0.00 178.31 176.64 1x5t n GLY 30 N -1.65 3.55 3.93 -1.45 0.00 -0.85 -4.95 105.19 103.78 1x5t n GLY 30 Ca -0.16 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.22 5.13 -0.10 1.61 1.01 -1.26 -3.90 120.40 120.66 1x5t s VAL 31 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1x5t s VAL 31 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1x5t s VAL 31 CO 0.00 -0.33 -0.06 -0.63 0.00 0.00 0.00 175.10 174.08 1x5t s ILE 32 N -2.06 3.77 0.17 2.22 1.01 -1.26 -1.93 121.20 123.11 1x5t s ILE 32 Ca 0.40 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 1x5t s ILE 32 Cb -0.10 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.85 1x5t s ILE 32 CO 0.31 0.56 1.64 -0.07 0.00 0.00 0.00 174.94 177.38 1x5t h LEU 33 N 5.79 1.01 -7.00 2.97 3.38 -1.67 -3.45 115.31 116.34 1x5t h LEU 33 Ca -0.42 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 1x5t h LEU 33 Cb 1.18 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.49 1x5t h LEU 33 CO 0.56 1.06 0.29 0.00 0.09 0.00 0.00 178.44 180.44 1x5t s GLN 34 N -5.05 1.03 0.14 1.13 -2.07 -1.26 -5.03 119.66 108.54 1x5t s GLN 34 Ca -0.12 -0.06 -0.26 0.00 -1.82 0.00 0.00 55.36 53.10 1x5t s GLN 34 Cb 0.13 0.48 -0.15 0.00 -1.09 0.00 0.00 33.01 32.38 1x5t s GLN 34 CO 0.85 -0.39 0.53 2.41 -1.32 0.00 0.00 175.29 177.37 1x5t n THR 35 N 0.32 1.44 -1.49 3.63 -1.04 -1.26 -4.74 114.28 111.13 1x5t n THR 35 Ca -0.16 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.05 61.17 1x5t n THR 35 Cb 0.60 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.18 1x5t n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1x5t s PRO 36 N -0.72 2.51 -0.13 -2.82 0.04 -1.26 -4.97 135.00 127.65 1x5t s PRO 36 Ca 0.59 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1x5t s PRO 36 Cb -0.85 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1x5t s PRO 36 CO 0.49 -1.46 -0.14 0.21 0.04 0.00 0.00 177.00 176.14 1x5t s LYS 37 N -4.53 3.33 -0.23 4.56 2.47 -0.91 -4.96 119.74 119.47 1x5t s LYS 37 Ca 0.64 -0.71 -0.04 0.00 -1.56 0.00 0.00 55.97 54.30 1x5t s LYS 37 Cb -0.19 -2.61 -0.01 0.00 -1.46 0.00 0.00 37.83 33.56 1x5t s LYS 37 CO 0.49 0.17 -0.03 0.42 0.16 0.00 0.00 175.35 176.57 1x5t s ILE 38 N 0.45 3.46 0.48 5.43 1.01 -1.26 -1.24 121.20 129.53 1x5t s ILE 38 Ca -0.10 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 1x5t s ILE 38 Cb -0.16 -2.60 -0.07 0.00 0.01 0.00 0.00 42.46 39.64 1x5t s ILE 38 CO 0.05 0.39 1.17 -0.04 0.00 0.00 0.00 174.94 176.51 1x5t s MET 39 N 1.49 3.64 0.02 2.79 -1.94 -1.14 -4.92 119.30 119.23 1x5t s MET 39 Ca 0.05 1.77 0.01 0.00 -1.71 0.00 0.00 55.69 55.81 1x5t s MET 39 Cb -0.15 -2.32 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 1x5t s MET 39 CO -0.02 -0.65 -0.05 1.03 -0.01 0.00 0.00 175.02 175.32 1x5t s ARG 40 N -2.83 0.38 -0.01 2.03 0.52 -1.26 -0.20 118.95 117.58 1x5t s ARG 40 Ca 0.66 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.14 1x5t s ARG 40 Cb -0.28 -0.22 -0.05 0.00 0.52 0.00 0.00 34.95 34.91 1x5t s ARG 40 CO 0.34 0.05 1.44 -0.51 0.02 0.00 0.00 175.30 176.64 1x5t s ASP 41 N -0.83 6.81 0.02 0.23 1.11 0.05 -4.76 116.67 119.31 1x5t s ASP 41 Ca -0.05 2.13 0.15 0.00 0.18 0.00 0.00 52.55 54.96 1x5t s ASP 41 Cb -0.06 -2.56 0.63 0.00 1.07 0.00 0.00 42.92 42.01 1x5t s ASP 41 CO -0.00 -0.76 1.47 -0.81 1.18 0.00 0.00 175.17 176.25 1x5t n PRO 42 N 5.67 0.01 -0.02 8.23 -0.04 -1.26 0.18 135.00 147.77 1x5t n PRO 42 Ca 0.14 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1x5t n PRO 42 Cb 0.43 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x5t h ASP 43 N 0.00 -0.06 0.00 3.54 3.32 -1.98 -3.40 116.42 117.84 1x5t h ASP 43 Ca 0.00 -0.39 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 1x5t h ASP 43 Cb 0.25 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1x5t h ASP 43 CO 0.00 0.61 -1.85 0.35 -1.72 0.00 0.00 179.24 176.63 1x5t n THR 44 N -4.77 0.57 -1.98 0.35 -2.24 -1.20 -5.03 114.28 99.98 1x5t n THR 44 Ca -0.05 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1x5t n THR 44 Cb 0.22 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 1.93 0.89 3.63 3.38 0.00 0.49 -5.03 105.19 110.48 1x5t n GLY 45 Ca -0.15 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 1x5t n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5t s ASN 46 N -2.79 3.92 -0.30 1.61 3.84 -1.23 -4.82 114.94 115.17 1x5t s ASN 46 Ca 0.00 -1.37 -0.35 0.00 0.21 0.00 0.00 52.86 51.35 1x5t s ASN 46 Cb 0.00 -0.35 -0.11 0.00 -0.55 0.00 0.00 41.25 40.24 1x5t s ASN 46 CO 0.00 -0.48 2.13 -0.24 -2.79 0.00 0.00 177.10 175.72 1x5t n SER 47 N -1.00 2.40 -0.32 -4.21 2.88 -1.26 -0.77 113.62 111.34 1x5t n SER 47 Ca -0.06 0.49 0.07 0.00 -1.33 0.00 0.00 58.87 58.04 1x5t n SER 47 Cb 0.67 -1.29 0.22 0.00 -0.75 0.00 0.00 64.21 63.06 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 11.98 0.75 0.00 -1.46 1.63 -0.88 -3.44 116.57 125.14 1x5t h LYS 48 Ca -0.32 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1x5t h LYS 48 Cb 1.31 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1x5t h LYS 48 CO 1.00 0.49 0.00 0.41 -3.45 0.00 0.00 179.45 177.90 1x5t n GLY 49 N -1.33 1.30 3.27 5.01 0.00 -1.26 -4.94 105.19 107.25 1x5t n GLY 49 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.74 1.77 0.19 1.61 1.13 -1.26 -0.51 117.35 119.54 1x5t s TYR 50 Ca 0.00 -0.41 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 1x5t s TYR 50 Cb 0.00 -0.99 -0.05 0.00 -1.10 0.00 0.00 41.96 39.83 1x5t s TYR 50 CO 0.00 0.18 0.02 0.00 -2.51 0.00 0.00 175.55 173.24 1x5t s ALA 51 N -1.08 1.46 -0.09 9.51 0.00 0.82 -2.89 121.76 129.48 1x5t s ALA 51 Ca 0.06 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1x5t s ALA 51 Cb -0.10 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1x5t s ALA 51 CO 0.04 -0.35 -0.20 -0.06 0.00 0.00 0.00 175.76 175.19 1x5t s PHE 52 N -3.67 2.19 -0.03 0.00 0.40 -0.37 -1.48 117.98 115.02 1x5t s PHE 52 Ca 0.27 -0.91 0.03 0.00 -0.60 0.00 0.00 56.93 55.72 1x5t s PHE 52 Cb 0.06 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1x5t s PHE 52 CO 0.06 -0.40 -0.10 0.42 0.70 0.00 0.00 175.22 175.90 1x5t s ILE 53 N 0.54 0.88 -0.12 0.64 1.01 -0.91 -2.14 121.20 121.11 1x5t s ILE 53 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1x5t s ILE 53 Cb -0.17 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1x5t s ILE 53 CO 0.06 0.27 -0.13 0.20 0.00 0.00 0.00 174.94 175.33 1x5t s ASN 54 N 0.23 3.99 0.58 3.58 -0.87 -1.26 -0.13 114.94 121.06 1x5t s ASN 54 Ca -0.04 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 50.94 1x5t s ASN 54 Cb -0.10 -1.51 0.05 0.00 -0.02 0.00 0.00 41.25 39.67 1x5t s ASN 54 CO 0.01 0.19 0.82 -0.36 -2.57 0.00 0.00 177.10 175.19 1x5t s PHE 55 N 0.21 2.67 -0.09 2.20 0.40 -1.22 -2.36 117.98 119.79 1x5t s PHE 55 Ca -0.08 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.03 1x5t s PHE 55 Cb -0.15 -2.81 -0.28 0.00 0.51 0.00 0.00 43.02 40.29 1x5t s PHE 55 CO 0.05 -1.02 0.67 0.00 0.70 0.00 0.00 175.22 175.62 1x5t h ALA 56 N -0.05 0.07 -2.78 5.36 0.00 -1.69 -3.40 119.26 116.78 1x5t h ALA 56 Ca -0.41 -0.92 -0.61 0.00 0.00 0.00 0.00 54.91 52.96 1x5t h ALA 56 Cb 1.29 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1x5t h ALA 56 CO 0.51 0.62 -0.70 -1.54 0.00 0.00 0.00 179.25 178.13 1x5t s SER 57 N -6.97 4.31 0.18 0.00 1.04 -1.26 -4.22 113.70 106.78 1x5t s SER 57 Ca -0.18 -0.61 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 1x5t s SER 57 Cb 0.03 -0.74 0.07 0.00 0.10 0.00 0.00 66.02 65.48 1x5t s SER 57 CO 0.78 0.08 1.57 0.15 0.98 0.00 0.00 173.24 176.80 1x5t h PHE 58 N 2.64 1.03 -1.00 5.02 3.04 -1.91 -3.01 116.94 122.76 1x5t h PHE 58 Ca -0.46 -0.25 0.12 0.00 3.98 0.00 0.00 57.97 61.36 1x5t h PHE 58 Cb 1.22 -0.24 -0.09 0.00 2.56 0.00 0.00 35.95 39.40 1x5t h PHE 58 CO 0.66 1.04 0.63 -0.44 -2.02 0.00 0.00 178.31 178.19 1x5t h ASP 59 N 0.77 0.92 -0.45 0.41 5.19 -2.00 -1.44 116.42 119.82 1x5t h ASP 59 Ca 0.10 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1x5t h ASP 59 Cb 0.80 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1x5t h ASP 59 CO 0.07 0.48 0.29 0.00 -3.12 0.00 0.00 179.24 176.96 1x5t h ALA 60 N 1.54 0.57 0.00 3.45 0.00 -1.89 -1.84 119.26 121.09 1x5t h ALA 60 Ca 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1x5t h ALA 60 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x5t h ALA 60 CO -0.27 0.03 -0.03 0.77 0.00 0.00 0.00 179.25 179.74 1x5t h SER 61 N 0.60 0.00 -0.15 0.00 0.02 -1.29 -2.38 113.55 110.35 1x5t h SER 61 Ca 0.16 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1x5t h SER 61 Cb -0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1x5t h SER 61 CO -0.03 0.03 -0.15 -0.78 -1.14 0.00 0.00 176.83 174.76 1x5t h ASP 62 N 0.00 0.39 -0.33 3.07 3.58 -0.88 -2.78 116.42 119.48 1x5t h ASP 62 Ca -0.00 -0.48 0.07 0.00 0.42 0.00 0.00 57.03 57.04 1x5t h ASP 62 Cb 0.06 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 40.94 1x5t h ASP 62 CO 0.00 0.79 -0.10 0.00 -2.88 0.00 0.00 179.24 177.05 1x5t h ALA 63 N 0.61 0.19 0.39 -0.78 0.00 -1.00 -1.62 119.26 117.05 1x5t h ALA 63 Ca 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1x5t h ALA 63 Cb 0.68 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1x5t h ALA 63 CO 0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 179.25 178.55 1x5t h ALA 64 N 1.28 -1.07 -0.53 0.00 0.00 -1.55 0.12 119.26 117.51 1x5t h ALA 64 Ca 0.16 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1x5t h ALA 64 Cb 0.27 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1x5t h ALA 64 CO -0.35 -1.06 0.83 0.82 0.00 0.00 0.00 179.25 179.50 1x5t h ILE 65 N -0.62 0.10 0.00 0.00 2.04 -1.37 1.64 117.51 119.31 1x5t h ILE 65 Ca -0.05 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1x5t h ILE 65 Cb 0.50 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1x5t h ILE 65 CO 0.04 0.00 -0.46 -0.08 0.00 0.00 0.00 178.15 177.65 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.81 -0.47 -3.34 114.58 117.95 1x5t h GLU 66 Ca 0.25 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1x5t h GLU 66 Cb 1.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 1x5t h GLU 66 CO -0.00 0.82 -1.09 0.00 -0.73 0.00 0.00 179.01 178.01 1x5t n ALA 67 N -2.98 0.84 -0.37 2.92 0.00 0.49 -4.44 120.51 116.98 1x5t n ALA 67 Ca -0.16 -0.78 0.30 0.00 0.00 0.00 0.00 53.44 52.81 1x5t n ALA 67 Cb 0.48 0.03 0.62 0.00 0.00 0.00 0.00 19.45 20.57 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 0.20 -5.25 0.00 2.86 0.21 -3.19 114.93 108.76 1x5t h MET 68 Ca -0.08 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1x5t h MET 68 Cb 0.99 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1x5t h MET 68 CO -0.05 0.13 0.10 1.21 1.06 0.00 0.00 176.91 179.36 1x5t s ASN 69 N -5.00 3.73 0.00 1.22 3.84 -0.28 -1.17 114.94 117.28 1x5t s ASN 69 Ca -0.07 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 52.44 1x5t s ASN 69 Cb 0.26 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 1x5t s ASN 69 CO 0.81 -4.28 0.00 0.61 -2.79 0.00 0.00 177.10 171.45 1x5t n GLY 70 N 6.45 1.48 3.27 1.21 0.00 -0.63 -4.89 105.19 112.09 1x5t n GLY 70 Ca 0.44 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 0.00 -2.13 1.61 1.13 -0.32 -4.41 117.38 113.22 1x5t n GLN 71 Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 1x5t n GLN 71 Cb 0.00 -1.36 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 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 1.13 1.78 0.56 1.08 5.04 -1.26 -2.77 117.35 122.90 1x5t s TYR 72 Ca 0.88 0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 56.13 1x5t s TYR 72 Cb -1.24 -4.18 0.02 0.00 0.35 0.00 0.00 41.96 36.91 1x5t s TYR 72 CO 0.61 -2.28 0.82 -1.17 -1.34 0.00 0.00 175.55 172.19 1x5t s LEU 73 N 8.42 3.29 -0.30 6.97 2.96 -0.58 -4.82 118.68 134.62 1x5t s LEU 73 Ca 0.62 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1x5t s LEU 73 Cb -0.12 -3.19 -0.10 0.00 0.50 0.00 0.00 46.19 43.28 1x5t s LEU 73 CO 0.20 -1.07 0.65 0.00 -1.32 0.00 0.00 176.35 174.82 1x5t n ASN 75 N 1.74 -0.45 -3.15 0.00 3.02 -1.26 -4.55 115.26 110.61 1x5t n ASN 75 Ca 0.20 -1.24 0.06 0.00 -0.03 0.00 0.00 54.58 53.57 1x5t n ASN 75 Cb 0.04 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 37.67 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 -7.28 0.14 -0.53 3.52 0.52 0.36 -4.88 118.95 110.80 1x5t s ARG 76 Ca 0.14 0.25 -0.27 0.00 -0.52 0.00 0.00 55.73 55.32 1x5t s ARG 76 Cb -0.08 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.51 1x5t s ARG 76 CO 0.96 -0.16 1.81 -1.25 0.02 0.00 0.00 175.30 176.68 1x5t s PRO 77 N 2.97 2.88 0.72 3.54 0.04 -1.26 -1.53 135.00 142.35 1x5t s PRO 77 Ca -0.03 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1x5t s PRO 77 Cb -0.10 -4.31 0.03 0.00 0.04 0.00 0.00 34.50 30.16 1x5t s PRO 77 CO -0.10 -2.42 1.07 0.96 0.04 0.00 0.00 177.00 176.55 1x5t s ILE 78 N 8.25 3.71 -0.14 0.56 -4.36 -1.12 -4.74 121.20 123.36 1x5t s ILE 78 Ca 0.70 0.57 -0.04 0.00 -0.26 0.00 0.00 60.65 61.62 1x5t s ILE 78 Cb -0.15 -3.19 0.06 0.00 1.25 0.00 0.00 42.46 40.42 1x5t s ILE 78 CO 0.25 -0.71 0.10 0.42 0.24 0.00 0.00 174.94 175.23 1x5t s THR 79 N -2.94 -0.12 -0.16 8.37 -4.23 -1.17 -1.60 115.64 113.79 1x5t s THR 79 Ca 0.60 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 1x5t s THR 79 Cb -0.16 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 1x5t s THR 79 CO 0.54 -0.15 0.28 -0.69 -0.54 0.00 0.00 174.62 174.07 1x5t s VAL 80 N 2.17 5.31 -0.20 2.29 1.01 -1.26 -3.21 120.40 126.51 1x5t s VAL 80 Ca 0.03 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1x5t s VAL 80 Cb -0.15 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1x5t s VAL 80 CO -0.08 0.40 0.49 -0.44 0.00 0.00 0.00 175.10 175.48 1x5t s SER 81 N 0.38 -0.63 -0.19 3.32 0.01 -0.79 -4.73 113.70 111.07 1x5t s SER 81 Ca 0.16 1.08 -0.40 0.00 1.31 0.00 0.00 55.95 58.10 1x5t s SER 81 Cb -0.13 1.01 -0.17 0.00 0.21 0.00 0.00 66.02 66.94 1x5t s SER 81 CO 0.04 -0.21 1.54 -1.22 0.41 0.00 0.00 173.24 173.80 1x5t n TYR 82 N 4.39 1.71 -0.32 2.43 4.01 -1.26 -1.89 117.16 126.23 1x5t n TYR 82 Ca -0.21 0.72 0.30 0.00 -0.16 0.00 0.00 57.90 58.55 1x5t n TYR 82 Cb 0.56 -2.35 0.56 0.00 -0.31 0.00 0.00 39.34 37.80 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t h ALA 83 N 5.70 2.09 -3.64 -0.72 0.00 -1.88 -3.36 119.26 117.45 1x5t h ALA 83 Ca -0.47 0.27 -0.68 0.00 0.00 0.00 0.00 54.91 54.04 1x5t h ALA 83 Cb 1.34 0.34 -0.28 0.00 0.00 0.00 0.00 17.79 19.19 1x5t h ALA 83 CO 0.88 -0.91 -0.82 0.12 0.00 0.00 0.00 179.25 178.52 1x5t s PHE 84 N -5.56 2.65 0.06 0.00 2.19 -1.26 -5.02 117.98 111.04 1x5t s PHE 84 Ca -0.09 -0.63 -0.34 0.00 0.33 0.00 0.00 56.93 56.20 1x5t s PHE 84 Cb 0.33 -1.72 -0.19 0.00 -1.31 0.00 0.00 43.02 40.14 1x5t s PHE 84 CO 0.78 -0.17 1.57 0.87 1.83 0.00 0.00 175.22 180.11 1x5t h LYS 85 N 6.27 -0.97 -6.89 10.12 1.79 -1.99 -3.43 116.57 121.48 1x5t h LYS 85 Ca -0.30 0.07 -0.54 0.00 -2.18 0.00 0.00 60.65 57.70 1x5t h LYS 85 Cb 1.20 0.22 0.10 0.00 -1.58 0.00 0.00 32.23 32.17 1x5t h LYS 85 CO 0.51 -0.64 0.84 0.21 -1.08 0.00 0.00 179.45 179.29 1x5t s LYS 86 N -5.93 4.10 0.35 3.15 2.20 -1.26 -5.02 119.74 117.33 1x5t s LYS 86 Ca -0.18 2.60 0.09 0.00 -0.36 0.00 0.00 55.97 58.13 1x5t s LYS 86 Cb 0.03 -2.98 -0.07 0.00 -1.51 0.00 0.00 37.83 33.30 1x5t s LYS 86 CO 0.60 -0.60 -0.09 0.34 -0.36 0.00 0.00 175.35 175.24 1x5t s ASP 87 N 0.15 3.71 -1.05 1.43 2.15 -1.26 -5.07 116.67 116.73 1x5t s ASP 87 Ca 0.58 -1.21 -0.20 0.00 0.43 0.00 0.00 52.55 52.15 1x5t s ASP 87 Cb -0.48 -0.35 0.09 0.00 -0.30 0.00 0.00 42.92 41.89 1x5t s ASP 87 CO 0.57 -0.22 1.39 -0.44 -0.17 0.00 0.00 175.17 176.30 1x5t s SER 88 N -3.61 6.64 -0.23 -0.34 0.01 -1.26 -4.90 113.70 110.01 1x5t s SER 88 Ca 0.33 -1.91 -0.06 0.00 1.31 0.00 0.00 55.95 55.61 1x5t s SER 88 Cb 0.03 -2.50 0.11 0.00 0.21 0.00 0.00 66.02 63.87 1x5t s SER 88 CO 0.16 -1.26 0.45 -0.54 0.41 0.00 0.00 173.24 172.47 1x5t s LYS 89 N 3.86 0.38 -0.35 12.44 1.02 -1.26 -5.08 119.74 130.75 1x5t s LYS 89 Ca 0.43 1.00 -0.02 0.00 0.02 0.00 0.00 55.97 57.40 1x5t s LYS 89 Cb -0.01 0.27 0.26 0.00 -0.52 0.00 0.00 37.83 37.83 1x5t s LYS 89 CO -0.06 -0.34 1.17 0.41 -0.92 0.00 0.00 175.35 175.60 1x5t n GLY 90 N 5.40 -1.52 2.89 -3.33 0.00 -1.26 -5.15 105.19 102.22 1x5t n GLY 90 Ca -0.08 0.94 -0.21 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.22 1.19 0.00 1.61 1.04 -1.26 -5.05 113.70 111.01 1x5t s SER 91 Ca 0.26 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1x5t s SER 91 Cb 0.19 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1x5t s SER 91 CO -0.10 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x5t n GLY 92 N 4.24 0.94 3.60 7.32 0.00 -1.26 -5.17 105.19 114.86 1x5t n GLY 92 Ca -0.21 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1x5t n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5t s PRO 93 N 0.00 -1.13 0.06 1.61 0.04 -1.26 -5.10 135.00 129.22 1x5t s PRO 93 Ca 0.00 -0.03 -0.24 0.00 0.04 0.00 0.00 61.00 60.77 1x5t s PRO 93 Cb 0.00 -1.60 0.06 0.00 0.04 0.00 0.00 34.50 33.00 1x5t s PRO 93 CO 0.00 -3.66 0.56 0.45 0.04 0.00 0.00 177.00 174.39 1x5t s SER 94 N -3.86 -0.50 0.08 6.66 0.15 -1.26 -5.18 113.70 109.78 1x5t s SER 94 Ca 0.71 0.20 -0.27 0.00 0.70 0.00 0.00 55.95 57.28 1x5t s SER 94 Cb -0.10 0.53 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 1x5t s SER 94 CO 0.56 -0.77 1.07 -0.94 1.20 0.00 0.00 173.24 174.36 1x5t s SER 95 N -2.09 -0.15 0.00 5.45 1.04 -1.26 -5.36 113.70 111.33 1x5t s SER 95 Ca -0.04 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.15 1x5t s SER 95 Cb -0.00 0.36 0.22 0.00 0.10 0.00 0.00 66.02 66.70 1x5t s SER 95 CO -0.03 -0.67 0.70 0.61 0.98 0.00 0.00 173.24 174.83