#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 5.66 -0.18 1.61 1.04 -1.26 -4.91 113.70 115.66 1x5t s SER 2 Ca 0.00 -0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.24 1x5t s SER 2 Cb 0.00 -2.02 -0.06 0.00 0.10 0.00 0.00 66.02 64.04 1x5t s SER 2 CO 0.00 0.03 -0.30 -1.20 0.98 0.00 0.00 173.24 172.75 1x5t n SER 3 N 4.50 1.91 -4.91 7.02 7.64 -1.26 -5.00 113.62 123.53 1x5t n SER 3 Ca -0.15 0.40 -0.28 0.00 1.01 0.00 0.00 58.87 59.84 1x5t n SER 3 Cb 0.52 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 1x5t n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5t s GLY 4 N -4.82 1.77 -0.67 0.23 0.00 -1.26 -5.01 107.32 97.56 1x5t s GLY 4 Ca -0.27 -0.55 -0.00 0.00 0.00 0.00 0.00 44.72 43.90 1x5t s GLY 4 CO 0.40 -0.43 1.85 -1.26 0.00 0.00 0.00 173.10 173.66 1x5t n SER 5 N -1.22 7.05 -2.16 1.64 2.88 -1.26 -4.73 113.62 115.82 1x5t n SER 5 Ca -0.01 -3.80 -0.23 0.00 -1.33 0.00 0.00 58.87 53.50 1x5t n SER 5 Cb 0.54 -0.89 0.02 0.00 -0.75 0.00 0.00 64.21 63.13 1x5t n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5t n SER 6 N -0.72 6.71 -4.76 -3.46 3.41 -1.26 -4.98 113.62 108.56 1x5t n SER 6 Ca 0.55 -3.25 -0.39 0.00 -0.26 0.00 0.00 58.87 55.52 1x5t n SER 6 Cb 0.54 -1.09 0.01 0.00 -0.26 0.00 0.00 64.21 63.41 1x5t n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5t s GLY 7 N -0.14 2.90 -0.01 5.00 0.00 -1.26 -4.34 107.32 109.46 1x5t s GLY 7 Ca 0.45 1.28 0.01 0.00 0.00 0.00 0.00 44.72 46.46 1x5t s GLY 7 CO -0.08 1.85 0.00 -0.26 0.00 0.00 0.00 173.10 174.61 1x5t s ILE 8 N -1.28 4.18 -0.21 0.90 -4.36 0.76 -2.65 121.20 118.53 1x5t s ILE 8 Ca 0.61 -0.55 -0.10 0.00 -0.26 0.00 0.00 60.65 60.36 1x5t s ILE 8 Cb -0.39 -2.85 -0.05 0.00 1.25 0.00 0.00 42.46 40.43 1x5t s ILE 8 CO 0.49 0.41 0.12 0.12 0.24 0.00 0.00 174.94 176.32 1x5t s PHE 9 N -1.06 3.35 -0.15 1.37 2.19 0.45 -2.21 117.98 121.92 1x5t s PHE 9 Ca 0.19 0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.70 1x5t s PHE 9 Cb -0.11 -2.17 0.01 0.00 -1.31 0.00 0.00 43.02 39.43 1x5t s PHE 9 CO 0.09 0.20 -0.19 0.42 1.83 0.00 0.00 175.22 177.57 1x5t s ILE 10 N 0.56 2.32 0.19 3.12 1.01 -0.77 -2.01 121.20 125.62 1x5t s ILE 10 Ca 0.07 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.93 1x5t s ILE 10 Cb -0.12 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1x5t s ILE 10 CO 0.00 0.53 -0.21 -0.83 0.00 0.00 0.00 174.94 174.44 1x5t s GLY 11 N 0.84 1.57 -0.32 6.18 0.00 -1.02 -0.03 107.32 114.53 1x5t s GLY 11 Ca -0.06 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.07 1x5t s GLY 11 CO -0.02 -1.63 0.27 -2.01 0.00 0.00 0.00 173.10 169.71 1x5t n ASN 12 N 0.20 -2.53 -4.55 1.64 5.15 0.14 -1.80 115.26 113.52 1x5t n ASN 12 Ca -0.12 -0.18 -0.37 0.00 -0.60 0.00 0.00 54.58 53.31 1x5t n ASN 12 Cb 0.57 -1.79 -0.11 0.00 -0.53 0.00 0.00 39.78 37.91 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 -3.39 3.76 0.30 1.20 1.43 -0.08 -3.83 118.68 118.06 1x5t s LEU 13 Ca 0.05 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.81 1x5t s LEU 13 Cb -0.01 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.06 1x5t s LEU 13 CO 0.20 0.01 1.05 -0.67 0.23 0.00 0.00 176.35 177.17 1x5t n ASP 14 N 4.66 1.49 0.00 2.29 -0.08 -1.26 -4.59 116.55 119.06 1x5t n ASP 14 Ca -0.15 1.18 0.08 0.00 -1.51 0.00 0.00 54.79 54.39 1x5t n ASP 14 Cb 0.52 -1.31 0.46 0.00 2.34 0.00 0.00 41.12 43.12 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 0.69 0.47 0.00 -0.67 -0.04 -1.26 -1.90 135.00 132.28 1x5t n PRO 15 Ca 0.09 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1x5t n PRO 15 Cb 0.33 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.02 1.39 -3.34 0.54 1.02 -1.26 -4.84 120.64 113.13 1x5t n GLU 16 Ca 0.11 -1.09 -0.34 0.00 -0.02 0.00 0.00 57.16 55.82 1x5t n GLU 16 Cb 0.06 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.36 4.85 0.11 -3.67 1.01 -0.80 -5.09 121.20 115.24 1x5t s ILE 17 Ca 0.23 0.78 0.07 0.00 0.00 0.00 0.00 60.65 61.72 1x5t s ILE 17 Cb 0.19 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1x5t s ILE 17 CO 0.49 0.14 -0.17 -1.81 0.00 0.00 0.00 174.94 173.60 1x5t s ASP 18 N -1.89 2.16 0.21 3.58 1.11 -1.26 -5.02 116.67 115.56 1x5t s ASP 18 Ca 0.41 -0.72 -0.09 0.00 0.18 0.00 0.00 52.55 52.34 1x5t s ASP 18 Cb -0.14 -0.10 0.32 0.00 1.07 0.00 0.00 42.92 44.07 1x5t s ASP 18 CO 0.20 -0.05 1.26 -0.62 1.18 0.00 0.00 175.17 177.14 1x5t n GLU 19 N 0.91 -0.11 -0.22 8.23 4.71 -1.26 0.49 120.64 133.39 1x5t n GLU 19 Ca -0.18 1.25 -0.06 0.00 -0.01 0.00 0.00 57.16 58.16 1x5t n GLU 19 Cb 0.55 -1.87 -0.01 0.00 -1.01 0.00 0.00 31.44 29.11 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 -0.17 0.17 3.49 1.63 -1.96 -0.01 116.57 119.72 1x5t h LYS 20 Ca 0.35 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.16 1x5t h LYS 20 Cb 0.56 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1x5t h LYS 20 CO -0.82 -0.11 -0.13 1.25 -3.45 0.00 0.00 179.45 176.19 1x5t h LEU 21 N -0.17 -0.33 -0.86 5.20 5.85 -0.36 -3.01 115.31 121.62 1x5t h LEU 21 Ca 0.22 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1x5t h LEU 21 Cb 0.56 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.56 1x5t h LEU 21 CO -0.70 -0.18 -0.37 0.18 -0.34 0.00 0.00 178.44 177.02 1x5t n LEU 22 N -3.01 -0.63 -0.37 2.25 4.77 -0.95 -0.39 117.00 118.66 1x5t n LEU 22 Ca -0.03 1.51 -0.10 0.00 -0.03 0.00 0.00 56.01 57.36 1x5t n LEU 22 Cb 0.12 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1x5t n LEU 22 CO 0.08 -1.33 0.48 0.22 -1.33 0.00 0.00 177.39 175.51 1x5t h TYR 23 N 0.00 -1.71 0.50 -1.77 5.03 -0.90 0.10 116.97 118.22 1x5t h TYR 23 Ca 0.27 0.12 -0.02 0.00 2.58 0.00 0.00 58.73 61.67 1x5t h TYR 23 Cb 0.48 0.86 0.00 0.00 1.55 0.00 0.00 36.73 39.63 1x5t h TYR 23 CO -0.79 -0.34 -0.24 0.22 -1.32 0.00 0.00 178.16 175.70 1x5t h ASP 24 N -0.01 -0.57 -1.04 -2.11 1.82 -0.68 0.69 116.42 114.53 1x5t h ASP 24 Ca 0.14 -0.06 0.41 0.00 -0.39 0.00 0.00 57.03 57.13 1x5t h ASP 24 Cb 0.38 0.15 -0.16 0.00 0.68 0.00 0.00 39.33 40.38 1x5t h ASP 24 CO -0.84 -0.25 0.60 0.41 -1.61 0.00 0.00 179.24 177.54 1x5t n THR 25 N -5.30 -0.34 0.01 2.25 -1.04 0.48 0.20 114.28 110.55 1x5t n THR 25 Ca -0.11 1.82 0.09 0.00 -2.04 0.00 0.00 64.05 63.81 1x5t n THR 25 Cb 0.31 -2.96 -0.12 0.00 -1.82 0.00 0.00 70.33 65.73 1x5t n THR 25 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x5t n PHE 26 N -4.93 0.28 0.07 -1.42 3.01 0.28 -4.22 117.46 110.52 1x5t n PHE 26 Ca 0.36 0.08 0.18 0.00 1.01 0.00 0.00 57.45 59.08 1x5t n PHE 26 Cb 1.28 -0.67 0.70 0.00 -0.01 0.00 0.00 39.48 40.77 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 0.00 0.00 0.29 4.37 0.87 0.87 -2.09 113.55 117.86 1x5t h SER 27 Ca -0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1x5t h SER 27 Cb 1.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1x5t h SER 27 CO 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 176.83 176.08 1x5t h ALA 28 N 1.77 -0.50 0.72 6.23 0.00 -1.62 -3.18 119.26 122.67 1x5t h ALA 28 Ca 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1x5t h ALA 28 Cb 0.80 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x5t h ALA 28 CO -0.00 -0.80 -0.37 0.74 0.00 0.00 0.00 179.25 178.81 1x5t h PHE 29 N -0.52 -0.98 -3.78 0.00 0.04 -1.65 -3.47 116.94 106.59 1x5t h PHE 29 Ca -0.02 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.55 1x5t h PHE 29 Cb 0.45 0.33 -0.06 0.00 2.20 0.00 0.00 35.95 38.87 1x5t h PHE 29 CO -0.12 -0.59 -0.07 0.20 -0.60 0.00 0.00 178.31 177.13 1x5t s GLY 30 N -2.07 1.07 -0.02 -1.45 0.00 -1.08 -4.93 107.32 98.85 1x5t s GLY 30 Ca -0.18 -1.23 -0.22 0.00 0.00 0.00 0.00 44.72 43.09 1x5t s GLY 30 CO 0.62 -0.77 0.64 0.14 0.00 0.00 0.00 173.10 173.72 1x5t s VAL 31 N -3.03 4.93 0.23 1.40 1.01 -1.26 -3.95 120.40 119.73 1x5t s VAL 31 Ca 0.26 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.30 1x5t s VAL 31 Cb -0.02 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1x5t s VAL 31 CO 0.16 0.36 0.88 -0.63 0.00 0.00 0.00 175.10 175.87 1x5t s ILE 32 N 0.12 4.21 -0.01 2.22 1.01 -1.26 -1.26 121.20 126.22 1x5t s ILE 32 Ca 0.33 1.88 -0.25 0.00 0.00 0.00 0.00 60.65 62.62 1x5t s ILE 32 Cb -0.18 -4.20 -0.18 0.00 0.01 0.00 0.00 42.46 37.91 1x5t s ILE 32 CO 0.18 0.44 1.23 -0.07 0.00 0.00 0.00 174.94 176.71 1x5t h LEU 33 N 4.02 -0.15 -7.72 2.97 3.38 -1.36 -3.44 115.31 113.01 1x5t h LEU 33 Ca -0.46 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.06 1x5t h LEU 33 Cb 1.20 0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.80 1x5t h LEU 33 CO 0.67 0.27 -0.44 -1.10 0.09 0.00 0.00 178.44 177.93 1x5t s GLN 34 N -4.40 0.57 0.05 1.13 -1.52 -1.26 -4.38 119.66 109.85 1x5t s GLN 34 Ca -0.15 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.50 1x5t s GLN 34 Cb 0.02 0.24 -0.16 0.00 -0.22 0.00 0.00 33.01 32.89 1x5t s GLN 34 CO 0.60 -0.15 0.75 2.41 -0.25 0.00 0.00 175.29 178.65 1x5t n THR 35 N 1.18 0.52 -2.14 -0.19 -1.04 -1.26 -4.61 114.28 106.73 1x5t n THR 35 Ca -0.21 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.05 61.32 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 -0.26 3.23 -0.16 -2.82 0.04 -1.26 -4.96 135.00 128.81 1x5t s PRO 36 Ca 0.69 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.28 1x5t s PRO 36 Cb -0.98 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 1x5t s PRO 36 CO 0.48 -0.94 -0.12 0.15 0.04 0.00 0.00 177.00 176.61 1x5t s LYS 37 N -3.47 3.34 -0.21 4.56 1.02 -0.76 -4.92 119.74 119.30 1x5t s LYS 37 Ca 0.71 -0.69 -0.05 0.00 0.02 0.00 0.00 55.97 55.97 1x5t s LYS 37 Cb -0.23 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1x5t s LYS 37 CO 0.30 0.07 -0.01 0.42 -0.92 0.00 0.00 175.35 175.22 1x5t s ILE 38 N 0.72 3.82 0.02 2.17 1.01 -1.26 -0.96 121.20 126.71 1x5t s ILE 38 Ca -0.05 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1x5t s ILE 38 Cb -0.15 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 1x5t s ILE 38 CO 0.02 0.42 1.36 -0.04 0.00 0.00 0.00 174.94 176.69 1x5t s MET 39 N 1.18 4.31 -0.11 2.79 -1.94 -1.11 -4.96 119.30 119.46 1x5t s MET 39 Ca 0.03 1.93 0.02 0.00 -1.71 0.00 0.00 55.69 55.97 1x5t s MET 39 Cb -0.14 -3.49 0.01 0.00 2.01 0.00 0.00 34.83 33.21 1x5t s MET 39 CO 0.01 -0.50 -0.19 1.03 -0.01 0.00 0.00 175.02 175.36 1x5t s ARG 40 N 2.02 2.54 -0.42 2.03 0.52 -1.26 -0.12 118.95 124.25 1x5t s ARG 40 Ca 0.63 -0.69 -0.38 0.00 -0.52 0.00 0.00 55.73 54.77 1x5t s ARG 40 Cb -0.31 -2.05 -0.14 0.00 0.52 0.00 0.00 34.95 32.96 1x5t s ARG 40 CO 0.27 0.02 2.20 -3.47 0.02 0.00 0.00 175.30 174.33 1x5t n ASP 41 N 3.97 1.61 0.00 0.23 2.03 0.17 -4.77 116.55 119.78 1x5t n ASP 41 Ca -0.20 0.47 0.07 0.00 0.52 0.00 0.00 54.79 55.66 1x5t n ASP 41 Cb 0.52 -1.14 0.33 0.00 -0.72 0.00 0.00 41.12 40.12 1x5t n ASP 41 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5t n PRO 42 N 8.00 0.10 -0.08 -0.67 -0.04 -1.26 0.10 135.00 141.15 1x5t n PRO 42 Ca 0.47 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 64.02 1x5t n PRO 42 Cb 0.14 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1x5t n PRO 42 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1x5t h ASP 43 N 0.00 0.00 0.11 3.54 3.58 -1.97 -3.42 116.42 118.26 1x5t h ASP 43 Ca 0.00 -0.24 -0.37 0.00 0.42 0.00 0.00 57.03 56.84 1x5t h ASP 43 Cb 0.19 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 1x5t h ASP 43 CO 0.00 1.02 -2.17 0.35 -2.88 0.00 0.00 179.24 175.56 1x5t n THR 44 N -4.56 1.63 -0.07 2.25 -2.24 -1.21 -5.02 114.28 105.05 1x5t n THR 44 Ca -0.16 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1x5t n THR 44 Cb 0.41 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 2.02 1.27 3.30 3.38 0.00 0.28 -5.06 105.19 110.38 1x5t n GLY 45 Ca -0.35 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.03 2.67 -0.26 1.61 -0.87 -1.22 -4.85 114.94 109.99 1x5t s ASN 46 Ca 0.00 -0.69 -0.36 0.00 -1.57 0.00 0.00 52.86 50.25 1x5t s ASN 46 Cb 0.00 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.25 40.95 1x5t s ASN 46 CO 0.00 0.09 2.01 -0.24 -2.57 0.00 0.00 177.10 176.39 1x5t n SER 47 N 1.11 2.58 0.05 -1.22 2.88 -1.26 0.41 113.62 118.17 1x5t n SER 47 Ca -0.19 0.70 -0.14 0.00 -1.33 0.00 0.00 58.87 57.91 1x5t n SER 47 Cb 0.53 -1.27 -0.07 0.00 -0.75 0.00 0.00 64.21 62.65 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 10.52 -0.56 0.00 -1.46 1.79 -0.84 -3.45 116.57 122.57 1x5t h LYS 48 Ca -0.38 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1x5t h LYS 48 Cb 1.30 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1x5t h LYS 48 CO 0.99 -0.38 0.00 0.41 -1.08 0.00 0.00 179.45 179.39 1x5t n GLY 49 N -1.45 0.68 3.21 3.86 0.00 -1.26 -4.99 105.19 105.25 1x5t n GLY 49 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 1.90 0.32 1.61 -0.85 -1.26 0.28 117.35 119.34 1x5t s TYR 50 Ca 0.00 -0.42 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1x5t s TYR 50 Cb 0.00 -1.24 -0.05 0.00 0.38 0.00 0.00 41.96 41.05 1x5t s TYR 50 CO 0.00 -0.08 0.08 0.00 -1.52 0.00 0.00 175.55 174.03 1x5t s ALA 51 N -0.34 2.25 -0.07 9.51 0.00 0.95 -2.75 121.76 131.31 1x5t s ALA 51 Ca 0.04 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.16 1x5t s ALA 51 Cb -0.09 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1x5t s ALA 51 CO 0.00 -0.36 -0.14 -0.06 0.00 0.00 0.00 175.76 175.20 1x5t s PHE 52 N -3.43 1.64 -0.02 0.00 0.40 -0.14 -1.85 117.98 114.58 1x5t s PHE 52 Ca 0.35 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1x5t s PHE 52 Cb 0.07 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.46 1x5t s PHE 52 CO 0.15 -0.29 -0.00 0.42 0.70 0.00 0.00 175.22 176.20 1x5t s ILE 53 N 0.57 0.16 -0.04 0.64 1.01 -0.94 -1.82 121.20 120.79 1x5t s ILE 53 Ca -0.15 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 1x5t s ILE 53 Cb -0.16 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1x5t s ILE 53 CO 0.04 0.13 0.02 0.54 0.00 0.00 0.00 174.94 175.67 1x5t s ASN 54 N 0.85 5.28 0.25 3.58 2.20 -1.26 -0.17 114.94 125.67 1x5t s ASN 54 Ca -0.08 0.09 0.07 0.00 -0.94 0.00 0.00 52.86 52.00 1x5t s ASN 54 Cb -0.12 -1.45 -0.04 0.00 -2.00 0.00 0.00 41.25 37.64 1x5t s ASN 54 CO -0.02 0.32 0.16 -0.36 -2.94 0.00 0.00 177.10 174.26 1x5t s PHE 55 N -1.03 3.03 0.04 1.54 0.40 -1.26 -1.14 117.98 119.56 1x5t s PHE 55 Ca 0.18 -0.13 -0.17 0.00 -0.60 0.00 0.00 56.93 56.21 1x5t s PHE 55 Cb -0.12 -1.37 -0.25 0.00 0.51 0.00 0.00 43.02 41.80 1x5t s PHE 55 CO 0.08 0.54 1.12 0.00 0.70 0.00 0.00 175.22 177.65 1x5t h ALA 56 N 1.61 0.07 -3.59 5.36 0.00 -1.47 -3.41 119.26 117.83 1x5t h ALA 56 Ca -0.48 -0.66 -0.67 0.00 0.00 0.00 0.00 54.91 53.10 1x5t h ALA 56 Cb 1.24 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 1x5t h ALA 56 CO 0.61 0.53 -0.73 0.45 0.00 0.00 0.00 179.25 180.12 1x5t s SER 57 N -7.09 4.48 0.20 0.00 0.15 -1.26 -4.85 113.70 105.34 1x5t s SER 57 Ca -0.11 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 1x5t s SER 57 Cb 0.05 -0.93 0.14 0.00 -1.71 0.00 0.00 66.02 63.56 1x5t s SER 57 CO 0.88 0.22 1.76 0.15 1.20 0.00 0.00 173.24 177.45 1x5t h PHE 58 N 3.96 1.16 -0.70 3.44 3.04 -1.95 -2.65 116.94 123.24 1x5t h PHE 58 Ca -0.48 -0.10 -0.02 0.00 3.98 0.00 0.00 57.97 61.35 1x5t h PHE 58 Cb 1.17 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 1x5t h PHE 58 CO 0.59 0.90 0.34 -0.44 -2.02 0.00 0.00 178.31 177.68 1x5t h ASP 59 N 1.09 0.89 -0.39 0.41 3.32 -2.00 -2.00 116.42 117.75 1x5t h ASP 59 Ca 0.25 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.28 1x5t h ASP 59 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1x5t h ASP 59 CO -0.02 0.75 0.27 0.00 -1.72 0.00 0.00 179.24 178.52 1x5t h ALA 60 N 1.39 2.10 -0.02 3.45 0.00 -1.83 -0.85 119.26 123.51 1x5t h ALA 60 Ca 0.24 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1x5t h ALA 60 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1x5t h ALA 60 CO -0.03 -0.19 -0.83 0.77 0.00 0.00 0.00 179.25 178.97 1x5t h SER 61 N 0.21 0.36 -0.13 0.00 0.02 -1.34 -3.28 113.55 109.39 1x5t h SER 61 Ca 0.18 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1x5t h SER 61 Cb 0.44 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1x5t h SER 61 CO -0.03 1.04 0.05 -0.78 -1.14 0.00 0.00 176.83 175.98 1x5t h ASP 62 N 0.17 0.18 -0.79 3.07 3.58 -1.00 -2.81 116.42 118.83 1x5t h ASP 62 Ca -0.05 -0.16 0.16 0.00 0.42 0.00 0.00 57.03 57.41 1x5t h ASP 62 Cb 1.44 -0.05 -0.15 0.00 1.72 0.00 0.00 39.33 42.30 1x5t h ASP 62 CO 0.13 0.29 -0.18 0.00 -2.88 0.00 0.00 179.24 176.61 1x5t h ALA 63 N 0.90 0.55 0.99 -0.78 0.00 -1.51 -0.47 119.26 118.94 1x5t h ALA 63 Ca 0.04 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1x5t h ALA 63 Cb 0.16 0.58 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x5t h ALA 63 CO -0.00 -0.41 -0.48 0.00 0.00 0.00 0.00 179.25 178.36 1x5t h ALA 64 N 1.78 -1.36 -0.20 0.00 0.00 -1.63 0.10 119.26 117.96 1x5t h ALA 64 Ca 0.38 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1x5t h ALA 64 Cb 0.60 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1x5t h ALA 64 CO -0.80 -1.26 0.61 0.82 0.00 0.00 0.00 179.25 178.62 1x5t h ILE 65 N -1.34 0.07 0.00 0.00 2.04 -1.07 1.26 117.51 118.48 1x5t h ILE 65 Ca -0.14 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.58 1x5t h ILE 65 Cb 1.02 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1x5t h ILE 65 CO 0.22 0.00 -0.86 -0.08 0.00 0.00 0.00 178.15 177.43 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.81 -0.43 -3.36 114.58 117.97 1x5t h GLU 66 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1x5t h GLU 66 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1x5t h GLU 66 CO -0.00 0.79 -0.76 0.00 -0.73 0.00 0.00 179.01 178.30 1x5t n ALA 67 N -3.28 0.67 -0.34 2.92 0.00 0.29 -4.47 120.51 116.29 1x5t n ALA 67 Ca -0.23 -0.64 0.20 0.00 0.00 0.00 0.00 53.44 52.78 1x5t n ALA 67 Cb 0.55 0.02 0.43 0.00 0.00 0.00 0.00 19.45 20.45 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 -0.92 0.46 -5.11 0.00 2.86 0.13 -3.24 114.93 109.11 1x5t h MET 68 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1x5t h MET 68 Cb 0.76 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1x5t h MET 68 CO 0.00 0.31 0.19 -1.71 1.06 0.00 0.00 176.91 176.75 1x5t n ASN 69 N -4.92 0.90 0.00 1.22 5.15 0.69 0.11 115.26 118.42 1x5t n ASN 69 Ca 0.29 -2.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.14 1x5t n ASN 69 Cb 0.85 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 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 6.03 1.79 3.66 8.20 0.00 -0.83 -4.86 105.19 119.18 1x5t n GLY 70 Ca 0.38 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.81 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 0.77 -2.14 1.61 1.13 0.12 -4.60 117.38 114.27 1x5t n GLN 71 Ca 0.00 0.28 -0.36 0.00 -1.94 0.00 0.00 57.00 54.98 1x5t n GLN 71 Cb 0.00 -1.89 -0.03 0.00 0.11 0.00 0.00 30.24 28.42 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 2.22 1.82 0.75 1.08 5.04 -1.26 -2.90 117.35 124.10 1x5t s TYR 72 Ca 0.95 0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 56.08 1x5t s TYR 72 Cb -1.16 -4.18 0.11 0.00 0.35 0.00 0.00 41.96 37.08 1x5t s TYR 72 CO 0.63 -2.13 1.05 -1.17 -1.34 0.00 0.00 175.55 172.59 1x5t s LEU 73 N 8.66 2.89 -0.53 6.97 2.96 -0.78 -4.80 118.68 134.04 1x5t s LEU 73 Ca 0.63 0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 1x5t s LEU 73 Cb -0.10 -2.56 -0.18 0.00 0.50 0.00 0.00 46.19 43.85 1x5t s LEU 73 CO 0.13 -1.87 1.15 0.00 -1.32 0.00 0.00 176.35 174.44 1x5t n ASN 75 N 2.99 0.74 -3.15 0.00 4.13 -1.26 -4.57 115.26 114.14 1x5t n ASN 75 Ca 0.36 -1.21 0.05 0.00 1.68 0.00 0.00 54.58 55.47 1x5t n ASN 75 Cb 0.07 -1.50 -0.01 0.00 -1.54 0.00 0.00 39.78 36.80 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 -7.13 0.25 -0.64 3.52 0.52 0.18 -4.93 118.95 110.73 1x5t s ARG 76 Ca 0.05 0.39 -0.26 0.00 -0.52 0.00 0.00 55.73 55.39 1x5t s ARG 76 Cb -0.03 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.63 1x5t s ARG 76 CO 0.95 -0.33 1.87 -1.25 0.02 0.00 0.00 175.30 176.56 1x5t s PRO 77 N 2.93 2.62 0.76 3.54 0.04 -1.26 -1.87 135.00 141.76 1x5t s PRO 77 Ca 0.08 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 1x5t s PRO 77 Cb -0.09 -4.44 0.05 0.00 0.04 0.00 0.00 34.50 30.06 1x5t s PRO 77 CO -0.16 -2.79 1.08 0.96 0.04 0.00 0.00 177.00 176.14 1x5t s ILE 78 N 9.16 3.46 -0.03 0.56 -4.36 -1.14 -4.73 121.20 124.12 1x5t s ILE 78 Ca 0.67 0.48 0.02 0.00 -0.26 0.00 0.00 60.65 61.56 1x5t s ILE 78 Cb -0.12 -3.09 0.01 0.00 1.25 0.00 0.00 42.46 40.51 1x5t s ILE 78 CO 0.19 -0.62 -0.07 0.28 0.24 0.00 0.00 174.94 174.96 1x5t s THR 79 N -2.99 0.66 -0.21 8.37 -1.32 -0.74 -1.96 115.64 117.44 1x5t s THR 79 Ca 0.60 -0.25 -0.05 0.00 -1.21 0.00 0.00 61.69 60.79 1x5t s THR 79 Cb -0.16 -0.62 -0.02 0.00 -1.51 0.00 0.00 72.50 70.19 1x5t s THR 79 CO 0.56 0.23 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.49 1x5t s VAL 80 N 0.52 3.75 -0.08 5.08 1.01 -1.26 -2.44 120.40 126.98 1x5t s VAL 80 Ca -0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1x5t s VAL 80 Cb -0.11 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1x5t s VAL 80 CO 0.01 0.43 0.27 -0.44 0.00 0.00 0.00 175.10 175.36 1x5t s SER 81 N 1.15 -0.24 0.34 3.32 0.01 -0.85 -4.66 113.70 112.77 1x5t s SER 81 Ca 0.02 0.40 -0.29 0.00 1.31 0.00 0.00 55.95 57.40 1x5t s SER 81 Cb -0.14 0.49 -0.11 0.00 0.21 0.00 0.00 66.02 66.46 1x5t s SER 81 CO 0.01 -0.18 1.53 -0.31 0.41 0.00 0.00 173.24 174.70 1x5t s TYR 82 N -0.25 2.66 0.60 2.43 2.02 -1.26 -0.41 117.35 123.13 1x5t s TYR 82 Ca -0.04 1.00 -0.14 0.00 -0.37 0.00 0.00 57.07 57.53 1x5t s TYR 82 Cb -0.03 -4.04 -0.04 0.00 -0.40 0.00 0.00 41.96 37.45 1x5t s TYR 82 CO 0.01 -3.25 1.03 0.00 -1.57 0.00 0.00 175.55 171.77 1x5t s ALA 83 N -0.64 2.90 -0.49 3.71 0.00 -1.08 -4.78 121.76 121.37 1x5t s ALA 83 Ca 0.57 0.15 -0.45 0.00 0.00 0.00 0.00 51.96 52.24 1x5t s ALA 83 Cb -0.47 -3.15 -0.19 0.00 0.00 0.00 0.00 23.12 19.31 1x5t s ALA 83 CO 0.57 -0.71 1.84 0.34 0.00 0.00 0.00 175.76 177.79 1x5t n PHE 84 N -2.32 1.44 -4.55 0.00 7.35 -1.26 -4.92 117.46 113.20 1x5t n PHE 84 Ca 0.07 0.94 -0.26 0.00 -0.76 0.00 0.00 57.45 57.45 1x5t n PHE 84 Cb 0.54 -2.22 -0.11 0.00 0.35 0.00 0.00 39.48 38.03 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 4.43 1.82 0.05 -4.13 2.20 -1.26 -5.09 119.74 117.77 1x5t s LYS 85 Ca 1.11 -1.99 -0.16 0.00 -0.36 0.00 0.00 55.97 54.57 1x5t s LYS 85 Cb -1.48 -1.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.27 1x5t s LYS 85 CO 0.73 0.01 0.48 0.21 -0.36 0.00 0.00 175.35 176.42 1x5t s LYS 86 N -3.70 4.02 -0.18 4.03 2.20 -1.26 -5.07 119.74 119.78 1x5t s LYS 86 Ca 0.34 0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 56.46 1x5t s LYS 86 Cb 0.06 -3.19 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1x5t s LYS 86 CO 0.16 0.64 0.01 0.34 -0.36 0.00 0.00 175.35 176.15 1x5t s ASP 87 N -1.19 2.86 0.32 1.43 2.15 -1.26 -5.12 116.67 115.87 1x5t s ASP 87 Ca 0.28 -0.76 -0.26 0.00 0.43 0.00 0.00 52.55 52.24 1x5t s ASP 87 Cb -0.17 -0.69 -0.14 0.00 -0.30 0.00 0.00 42.92 41.62 1x5t s ASP 87 CO 0.16 -0.27 0.78 -1.20 -0.17 0.00 0.00 175.17 174.48 1x5t n SER 88 N 4.99 0.20 -4.54 -0.34 7.64 -1.26 -4.88 113.62 115.43 1x5t n SER 88 Ca -0.09 1.08 -0.43 0.00 1.01 0.00 0.00 58.87 60.43 1x5t n SER 88 Cb 0.47 -1.18 -0.04 0.00 -1.01 0.00 0.00 64.21 62.44 1x5t n SER 88 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1x5t s LYS 89 N -1.50 3.41 0.00 1.43 1.02 -1.26 -4.81 119.74 118.03 1x5t s LYS 89 Ca 0.61 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1x5t s LYS 89 Cb -0.70 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 1x5t s LYS 89 CO 0.58 -1.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.12 1x5t n GLY 90 N 5.03 0.14 2.72 -3.33 0.00 -1.26 -5.05 105.19 103.43 1x5t n GLY 90 Ca 0.03 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1x5t n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5t n SER 91 N -0.32 -3.68 -3.06 1.61 2.88 -1.26 -4.17 113.62 105.62 1x5t n SER 91 Ca 0.00 -0.36 -0.14 0.00 -1.33 0.00 0.00 58.87 57.04 1x5t n SER 91 Cb 0.00 -3.41 0.01 0.00 -0.75 0.00 0.00 64.21 60.06 1x5t n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5t n GLY 92 N -1.31 -1.35 3.57 0.46 0.00 -1.26 -4.81 105.19 100.50 1x5t n GLY 92 Ca -0.07 0.85 -0.41 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.08 2.99 0.95 1.61 0.04 -1.26 -4.99 135.00 132.26 1x5t s PRO 93 Ca 0.19 0.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.01 1x5t s PRO 93 Cb -0.03 -4.28 0.19 0.00 0.04 0.00 0.00 34.50 30.42 1x5t s PRO 93 CO 0.67 -2.29 1.31 -1.54 0.04 0.00 0.00 177.00 175.20 1x5t s SER 94 N 6.92 3.19 0.22 6.66 1.04 -1.26 -5.11 113.70 125.36 1x5t s SER 94 Ca 0.71 0.28 -0.22 0.00 0.48 0.00 0.00 55.95 57.20 1x5t s SER 94 Cb -0.16 -0.35 0.04 0.00 0.10 0.00 0.00 66.02 65.65 1x5t s SER 94 CO 0.27 -2.69 0.71 -0.94 0.98 0.00 0.00 173.24 171.57 1x5t s SER 95 N -4.88 -0.35 0.00 7.02 1.04 -1.26 -5.27 113.70 110.00 1x5t s SER 95 Ca 0.73 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1x5t s SER 95 Cb -0.04 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1x5t s SER 95 CO 0.53 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.18