#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yel s ALA 2 N 0.00 3.73 -0.28 -5.12 0.00 -1.26 -4.98 121.76 113.86 1yel s ALA 2 Ca 0.00 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1yel s ALA 2 Cb 0.00 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.56 1yel s ALA 2 CO 0.00 -0.83 -0.06 0.34 0.00 0.00 0.00 175.76 175.21 1yel s ASP 3 N 0.71 4.61 0.00 0.00 2.15 -1.26 -5.01 116.67 117.88 1yel s ASP 3 Ca 0.65 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 52.31 1yel s ASP 3 Cb -0.45 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1yel s ASP 3 CO 0.40 -0.21 0.22 0.35 -0.17 0.00 0.00 175.17 175.75 1yel n THR 4 N 4.52 0.00 -1.11 1.71 -2.24 -1.26 -5.01 114.28 110.89 1yel n THR 4 Ca -0.14 0.62 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1yel n THR 4 Cb 0.43 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 1yel n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yel n GLY 5 N 1.36 0.49 3.89 3.38 0.00 -1.26 -4.88 105.19 108.18 1yel n GLY 5 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1yel n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yel s GLU 6 N -1.86 3.70 0.13 1.61 1.03 -1.26 -4.50 118.70 117.56 1yel s GLU 6 Ca 0.00 0.15 0.05 0.00 0.03 0.00 0.00 54.97 55.20 1yel s GLU 6 Cb 0.00 -2.61 -0.04 0.00 -0.80 0.00 0.00 34.13 30.68 1yel s GLU 6 CO 0.00 0.21 -0.12 0.14 -1.33 0.00 0.00 175.26 174.16 1yel s VAL 7 N -2.04 1.25 0.04 1.83 -7.23 0.04 -4.99 120.40 109.31 1yel s VAL 7 Ca 0.46 -1.87 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 1yel s VAL 7 Cb -0.11 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 1yel s VAL 7 CO 0.27 -0.57 -0.14 0.00 -0.31 0.00 0.00 175.10 174.36 1yel s GLN 8 N -3.14 0.89 0.01 4.82 -2.07 -1.26 0.03 119.66 118.94 1yel s GLN 8 Ca 0.12 -0.79 -0.03 0.00 -1.82 0.00 0.00 55.36 52.84 1yel s GLN 8 Cb -0.02 -0.89 -0.01 0.00 -1.09 0.00 0.00 33.01 31.00 1yel s GLN 8 CO 0.02 0.22 0.05 0.12 -1.32 0.00 0.00 175.29 174.37 1yel s PHE 9 N -0.94 0.14 -0.06 9.60 5.36 -0.20 -4.98 117.98 126.90 1yel s PHE 9 Ca 0.01 -0.30 0.03 0.00 -0.96 0.00 0.00 56.93 55.71 1yel s PHE 9 Cb -0.08 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.46 1yel s PHE 9 CO 0.01 -0.21 -0.15 -1.64 -1.46 0.00 0.00 175.22 171.77 1yel s MET 10 N -1.28 2.67 -0.05 10.12 -1.94 -1.26 -0.13 119.30 127.42 1yel s MET 10 Ca -0.14 -0.72 -0.02 0.00 -1.71 0.00 0.00 55.69 53.10 1yel s MET 10 Cb -0.08 -2.40 0.03 0.00 2.01 0.00 0.00 34.83 34.40 1yel s MET 10 CO 0.00 0.52 0.10 0.21 -0.01 0.00 0.00 175.02 175.84 1yel s LYS 11 N -0.46 0.04 0.52 2.03 2.20 -0.36 -4.99 119.74 118.72 1yel s LYS 11 Ca 0.06 0.28 -0.21 0.00 -0.36 0.00 0.00 55.97 55.73 1yel s LYS 11 Cb -0.12 -0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 35.96 1yel s LYS 11 CO 0.02 -0.16 1.24 -1.25 -0.36 0.00 0.00 175.35 174.84 1yel s PRO 12 N 1.05 3.35 -0.30 4.03 0.04 -1.26 -2.28 135.00 139.62 1yel s PRO 12 Ca -0.08 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.73 1yel s PRO 12 Cb -0.11 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1yel s PRO 12 CO -0.04 -0.93 0.41 0.12 0.04 0.00 0.00 177.00 176.59 1yel s PHE 13 N -1.48 3.23 -0.47 0.56 5.36 -0.16 -4.93 117.98 120.09 1yel s PHE 13 Ca 0.70 0.29 -0.17 0.00 -0.96 0.00 0.00 56.93 56.78 1yel s PHE 13 Cb -0.33 -2.67 0.05 0.00 -0.34 0.00 0.00 43.02 39.73 1yel s PHE 13 CO 0.38 -0.34 0.47 0.42 -1.46 0.00 0.00 175.22 174.70 1yel s ILE 14 N 2.14 5.08 0.34 3.12 -1.09 -1.26 -2.68 121.20 126.85 1yel s ILE 14 Ca 0.15 -0.67 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 1yel s ILE 14 Cb -0.16 -4.15 0.30 0.00 -1.58 0.00 0.00 42.46 36.88 1yel s ILE 14 CO 0.11 -0.59 1.90 -1.28 -1.23 0.00 0.00 174.94 173.85 1yel h SER 15 N 8.82 0.75 -0.56 3.58 0.87 -1.92 0.33 113.55 125.41 1yel h SER 15 Ca -0.27 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1yel h SER 15 Cb 1.11 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 1yel h SER 15 CO 0.87 0.44 0.33 -0.08 -0.53 0.00 0.00 176.83 177.86 1yel h GLU 16 N 0.82 0.77 0.16 2.24 4.81 -1.99 -0.38 114.58 121.02 1yel h GLU 16 Ca 0.40 -0.08 -0.34 0.00 -0.13 0.00 0.00 59.36 59.21 1yel h GLU 16 Cb 0.44 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1yel h GLU 16 CO -0.17 0.57 -1.73 -0.22 -0.73 0.00 0.00 179.01 176.73 1yel h LYS 17 N 0.75 0.34 -0.30 1.92 1.63 -1.50 -3.29 116.57 116.12 1yel h LYS 17 Ca 0.20 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1yel h LYS 17 Cb 0.01 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1yel h LYS 17 CO -0.04 1.28 0.00 0.43 -3.45 0.00 0.00 179.45 177.68 1yel n SER 18 N -3.64 1.06 0.05 4.20 7.64 0.10 -2.16 113.62 120.87 1yel n SER 18 Ca -0.26 -2.04 0.02 0.00 1.01 0.00 0.00 58.87 57.60 1yel n SER 18 Cb 1.04 -0.19 0.36 0.00 -1.01 0.00 0.00 64.21 64.41 1yel n SER 18 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1yel h SER 19 N 0.91 0.38 0.00 6.43 0.02 -1.13 -3.38 113.55 116.78 1yel h SER 19 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1yel h SER 19 Cb 0.33 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1yel h SER 19 CO 0.02 0.44 -0.92 1.17 -1.14 0.00 0.00 176.83 176.40 1yel n LYS 20 N -4.33 0.00 -3.89 3.45 4.81 -1.12 -4.75 118.16 112.34 1yel n LYS 20 Ca 0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 1yel n LYS 20 Cb 0.21 -0.87 -0.09 0.00 0.02 0.00 0.00 35.03 34.30 1yel n LYS 20 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1yel s SER 21 N -4.12 0.08 -0.04 3.14 0.01 -0.92 -4.18 113.70 107.66 1yel s SER 21 Ca 0.00 -0.36 -0.22 0.00 1.31 0.00 0.00 55.95 56.68 1yel s SER 21 Cb 0.00 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 1yel s SER 21 CO 0.00 -0.46 0.64 -0.76 0.41 0.00 0.00 173.24 173.07 1yel s LEU 22 N -1.81 4.36 -0.31 2.44 1.43 0.60 -2.79 118.68 122.59 1yel s LEU 22 Ca -0.09 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 1yel s LEU 22 Cb -0.04 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1yel s LEU 22 CO -0.02 -0.02 0.39 -0.70 0.23 0.00 0.00 176.35 176.23 1yel s GLU 23 N 0.37 3.77 -0.16 1.70 2.12 -1.26 -1.77 118.70 123.48 1yel s GLU 23 Ca 0.34 -0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.38 1yel s GLU 23 Cb -0.18 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 1yel s GLU 23 CO 0.17 -0.43 0.20 0.42 -0.54 0.00 0.00 175.26 175.08 1yel s ILE 24 N 2.09 5.38 0.40 -3.70 -1.09 -1.19 -5.04 121.20 118.05 1yel s ILE 24 Ca 0.14 0.34 -0.26 0.00 -2.23 0.00 0.00 60.65 58.64 1yel s ILE 24 Cb -0.16 -3.52 -0.10 0.00 -1.58 0.00 0.00 42.46 37.10 1yel s ILE 24 CO 0.11 0.47 1.26 -2.65 -1.23 0.00 0.00 174.94 172.90 1yel n PRO 25 N 3.13 1.93 -0.33 2.79 -0.02 -1.26 -4.57 135.00 136.67 1yel n PRO 25 Ca -0.15 0.68 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 1yel n PRO 25 Cb 0.53 -2.35 0.30 0.00 -0.02 0.00 0.00 33.50 31.96 1yel n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1yel h LEU 26 N 2.14 0.82 -1.46 2.45 6.46 -1.98 -0.32 115.31 123.42 1yel h LEU 26 Ca -0.47 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.35 1yel h LEU 26 Cb 1.30 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 1yel h LEU 26 CO 0.60 0.42 0.38 1.23 -0.62 0.00 0.00 178.44 180.45 1yel h GLY 27 N 0.87 0.78 1.17 3.75 0.00 -1.91 -0.60 103.07 107.13 1yel h GLY 27 Ca 0.49 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.40 1yel h GLY 27 CO -0.25 0.26 -1.20 -2.75 0.00 0.00 0.00 176.54 172.60 1yel h PHE 28 N 0.72 0.00 -0.31 5.60 3.57 -1.48 -3.19 116.94 121.85 1yel h PHE 28 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1yel h PHE 28 Cb -0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1yel h PHE 28 CO -0.00 0.50 0.14 -0.91 -2.23 0.00 0.00 178.31 175.81 1yel h ASN 29 N 0.00 0.42 0.82 0.41 2.35 -0.24 -2.16 115.58 117.18 1yel h ASN 29 Ca -0.12 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1yel h ASN 29 Cb 1.49 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1yel h ASN 29 CO 0.04 0.44 0.00 1.21 -1.65 0.00 0.00 177.43 177.48 1yel n GLU 30 N -4.75 0.10 0.12 0.81 2.13 -0.32 -3.40 120.64 115.32 1yel n GLU 30 Ca -0.02 0.24 -0.02 0.00 0.66 0.00 0.00 57.16 58.03 1yel n GLU 30 Cb 0.12 -1.65 0.08 0.00 0.27 0.00 0.00 31.44 30.25 1yel n GLU 30 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 1yel h TYR 31 N 0.00 0.00 -2.09 4.31 3.20 -1.37 -3.39 116.97 117.63 1yel h TYR 31 Ca 0.00 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.30 1yel h TYR 31 Cb 0.41 0.00 -0.40 0.00 1.54 0.00 0.00 36.73 38.28 1yel h TYR 31 CO 0.00 0.70 -0.89 1.97 -1.64 0.00 0.00 178.16 178.30 1yel n PHE 32 N -3.52 1.54 -1.71 -3.82 -1.74 -1.22 -5.08 117.46 101.91 1yel n PHE 32 Ca -0.00 -3.84 -0.43 0.00 -0.56 0.00 0.00 57.45 52.61 1yel n PHE 32 Cb 0.73 -0.45 -0.02 0.00 1.52 0.00 0.00 39.48 41.26 1yel n PHE 32 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1yel n PRO 33 N 0.96 2.34 -3.71 3.97 -0.04 -1.26 -5.00 135.00 132.27 1yel n PRO 33 Ca 0.26 0.83 -0.10 0.00 -0.04 0.00 0.00 63.50 64.45 1yel n PRO 33 Cb 0.49 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 1yel n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yel s ALA 34 N -0.15 -0.77 0.60 0.55 0.00 -1.26 -5.14 121.76 115.60 1yel s ALA 34 Ca 0.65 -0.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 1yel s ALA 34 Cb -0.57 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1yel s ALA 34 CO 0.51 -0.66 1.08 -2.30 0.00 0.00 0.00 175.76 174.39 1yel n PRO 35 N -0.23 1.07 -2.06 0.00 -0.02 -1.26 -4.85 135.00 127.65 1yel n PRO 35 Ca -0.14 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1yel n PRO 35 Cb 0.63 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1yel n PRO 35 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1yel s PHE 36 N -1.45 2.23 0.31 6.00 -0.12 -1.26 -4.97 117.98 118.72 1yel s PHE 36 Ca 0.76 0.36 0.03 0.00 -0.05 0.00 0.00 56.93 58.03 1yel s PHE 36 Cb -0.42 -3.85 -0.03 0.00 -0.63 0.00 0.00 43.02 38.09 1yel s PHE 36 CO 0.46 -3.48 0.48 -1.25 -0.05 0.00 0.00 175.22 171.38 1yel s PRO 37 N 3.57 3.41 -0.15 1.99 0.04 -1.26 -5.03 135.00 137.57 1yel s PRO 37 Ca 0.71 -0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.22 1yel s PRO 37 Cb -0.33 -2.75 -0.11 0.00 0.04 0.00 0.00 34.50 31.35 1yel s PRO 37 CO 0.28 0.21 -0.11 -0.89 0.04 0.00 0.00 177.00 176.53 1yel n ILE 38 N -1.66 0.89 -4.40 0.56 2.08 -1.26 -4.59 119.36 110.98 1yel n ILE 38 Ca -0.05 -0.36 -0.21 0.00 0.56 0.00 0.00 62.75 62.68 1yel n ILE 38 Cb 0.57 -1.00 -0.10 0.00 -0.75 0.00 0.00 39.64 38.35 1yel n ILE 38 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1yel s THR 39 N -2.31 2.04 -0.07 1.39 -4.23 -1.26 -2.02 115.64 109.19 1yel s THR 39 Ca -0.19 -2.29 -0.08 0.00 -1.18 0.00 0.00 61.69 57.95 1yel s THR 39 Cb 0.05 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.76 1yel s THR 39 CO 0.38 -0.51 0.21 0.54 -0.54 0.00 0.00 174.62 174.69 1yel s VAL 40 N -2.78 0.01 -0.14 2.29 0.11 0.11 -4.64 120.40 115.37 1yel s VAL 40 Ca 0.26 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1yel s VAL 40 Cb -0.03 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1yel s VAL 40 CO 0.10 -0.07 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.13 1yel s ASP 41 N -0.17 4.66 -0.18 3.54 2.15 -1.18 -0.72 116.67 124.77 1yel s ASP 41 Ca -0.03 -0.14 -0.04 0.00 0.43 0.00 0.00 52.55 52.78 1yel s ASP 41 Cb -0.03 -1.65 -0.02 0.00 -0.30 0.00 0.00 42.92 40.92 1yel s ASP 41 CO 0.01 0.20 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.42 1yel s LEU 42 N 0.14 3.13 -0.00 -1.34 1.43 0.51 -1.46 118.68 121.09 1yel s LEU 42 Ca -0.02 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1yel s LEU 42 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1yel s LEU 42 CO 0.03 0.10 0.05 -0.76 0.23 0.00 0.00 176.35 176.00 1yel s LEU 43 N 0.77 3.74 0.19 1.79 2.01 -0.23 -0.79 118.68 126.16 1yel s LEU 43 Ca -0.01 0.08 0.09 0.00 0.01 0.00 0.00 54.13 54.29 1yel s LEU 43 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 46.19 43.84 1yel s LEU 43 CO 0.02 0.27 -0.08 -0.62 1.01 0.00 0.00 176.35 176.96 1yel s ASP 44 N -1.68 4.34 0.00 2.29 2.15 -0.92 -1.07 116.67 121.78 1yel s ASP 44 Ca 0.22 -0.56 0.26 0.00 0.43 0.00 0.00 52.55 52.89 1yel s ASP 44 Cb -0.12 -0.77 0.61 0.00 -0.30 0.00 0.00 42.92 42.34 1yel s ASP 44 CO 0.13 0.09 1.47 -1.22 -0.17 0.00 0.00 175.17 175.47 1yel n TYR 45 N -0.06 0.00 0.04 -5.34 4.02 -1.26 -3.86 117.16 110.69 1yel n TYR 45 Ca -0.10 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.83 1yel n TYR 45 Cb 0.56 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.68 1yel n TYR 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1yel n SER 46 N -0.70 0.65 0.00 7.72 2.88 -1.26 -4.98 113.62 117.93 1yel n SER 46 Ca 0.11 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1yel n SER 46 Cb 0.36 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1yel n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1yel n GLY 47 N 1.34 2.60 3.85 0.46 0.00 -1.25 -5.14 105.19 107.05 1yel n GLY 47 Ca -0.08 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1yel n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yel s ARG 48 N 0.00 3.54 0.00 1.61 0.52 -1.26 -4.90 118.95 118.46 1yel s ARG 48 Ca 0.00 0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 55.95 1yel s ARG 48 Cb 0.00 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.41 1yel s ARG 48 CO 0.00 -0.62 0.20 -1.12 0.02 0.00 0.00 175.30 173.78 1yel s SER 49 N -3.87 -0.04 -0.09 0.23 0.01 -1.26 -2.15 113.70 106.52 1yel s SER 49 Ca 0.57 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.68 1yel s SER 49 Cb -0.12 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.38 1yel s SER 49 CO 0.50 -0.41 -0.05 0.26 0.41 0.00 0.00 173.24 173.95 1yel s TRP 50 N -1.48 1.14 -0.36 2.43 0.51 0.03 -5.00 118.94 116.19 1yel s TRP 50 Ca -0.14 -0.49 -0.19 0.00 -2.12 0.00 0.00 56.10 53.16 1yel s TRP 50 Cb -0.06 -1.04 0.00 0.00 -0.81 0.00 0.00 33.47 31.56 1yel s TRP 50 CO 0.02 -0.42 0.57 0.99 -0.51 0.00 0.00 176.95 177.60 1yel s THR 51 N 1.74 4.95 0.25 2.01 2.01 -1.26 -0.37 115.64 124.98 1yel s THR 51 Ca 0.04 0.39 0.10 0.00 0.31 0.00 0.00 61.69 62.52 1yel s THR 51 Cb -0.13 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1yel s THR 51 CO -0.06 -0.29 -0.07 0.68 -0.69 0.00 0.00 174.62 174.19 1yel s VAL 52 N 2.54 3.18 -0.22 3.82 -7.23 0.10 -4.77 120.40 117.82 1yel s VAL 52 Ca 0.21 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 1yel s VAL 52 Cb -0.15 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1yel s VAL 52 CO 0.14 -0.32 0.16 -0.13 -0.31 0.00 0.00 175.10 174.64 1yel s ARG 53 N -3.46 4.13 0.02 4.82 0.52 -1.18 0.05 118.95 123.86 1yel s ARG 53 Ca 0.30 -0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.34 1yel s ARG 53 Cb -0.07 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 1yel s ARG 53 CO 0.18 0.17 -0.15 1.41 0.02 0.00 0.00 175.30 176.93 1yel s MET 54 N 0.73 2.23 -0.08 3.54 -2.45 -0.85 0.21 119.30 122.64 1yel s MET 54 Ca 0.08 -0.89 0.02 0.00 -1.25 0.00 0.00 55.69 53.65 1yel s MET 54 Cb -0.12 -2.28 0.02 0.00 1.25 0.00 0.00 34.83 33.69 1yel s MET 54 CO 0.02 0.56 -0.11 0.21 1.05 0.00 0.00 175.02 176.75 1yel s LYS 55 N -1.35 1.66 -0.24 4.11 2.47 0.15 -4.15 119.74 122.39 1yel s LYS 55 Ca 0.15 -0.38 -0.11 0.00 -1.56 0.00 0.00 55.97 54.07 1yel s LYS 55 Cb -0.11 -1.45 -0.05 0.00 -1.46 0.00 0.00 37.83 34.77 1yel s LYS 55 CO 0.05 -0.04 0.20 0.15 0.16 0.00 0.00 175.35 175.87 1yel s LYS 56 N 0.89 4.07 -0.27 4.03 -0.14 -1.26 -0.93 119.74 126.13 1yel s LYS 56 Ca -0.10 -0.20 -0.03 0.00 -1.36 0.00 0.00 55.97 54.28 1yel s LYS 56 Cb -0.15 -3.55 0.11 0.00 -1.68 0.00 0.00 37.83 32.55 1yel s LYS 56 CO 0.01 0.02 0.19 0.50 -0.76 0.00 0.00 175.35 175.31 1yel s ARG 57 N 1.17 0.22 3.68 1.68 3.00 -0.26 -4.98 118.95 123.46 1yel s ARG 57 Ca 0.09 -0.28 0.00 0.00 -1.00 0.00 0.00 55.73 54.54 1yel s ARG 57 Cb -0.14 -1.07 0.00 0.00 0.00 0.00 0.00 34.95 33.74 1yel s ARG 57 CO 0.06 -0.95 0.00 0.41 0.00 0.00 0.00 175.30 174.81 1yel n GLY 58 N 5.28 0.94 0.68 8.12 0.00 -1.26 -0.85 105.19 118.10 1yel n GLY 58 Ca -0.05 0.58 0.13 0.00 0.00 0.00 0.00 46.02 46.68 1yel n GLY 58 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yel n GLU 59 N 0.00 1.86 -3.90 1.61 0.28 -1.26 -4.94 120.64 114.29 1yel n GLU 59 Ca 0.00 -1.36 -0.11 0.00 -0.16 0.00 0.00 57.16 55.54 1yel n GLU 59 Cb 0.00 -1.47 -0.11 0.00 1.43 0.00 0.00 31.44 31.29 1yel n GLU 59 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1yel s LYS 60 N -2.08 0.30 -0.13 3.44 2.20 -0.03 -4.57 119.74 118.87 1yel s LYS 60 Ca 0.31 -0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1yel s LYS 60 Cb 0.20 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1yel s LYS 60 CO 0.35 -0.06 -0.04 0.08 -0.36 0.00 0.00 175.35 175.32 1yel s VAL 61 N -1.00 3.86 -0.08 4.02 1.01 -1.26 -1.10 120.40 125.85 1yel s VAL 61 Ca -0.11 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1yel s VAL 61 Cb -0.06 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 1yel s VAL 61 CO 0.00 0.52 -0.22 -0.36 0.00 0.00 0.00 175.10 175.04 1yel s PHE 62 N 0.06 2.28 -0.49 5.22 0.08 -0.11 -3.17 117.98 121.84 1yel s PHE 62 Ca -0.00 -0.83 -0.15 0.00 0.12 0.00 0.00 56.93 56.07 1yel s PHE 62 Cb -0.13 -1.53 0.10 0.00 -0.57 0.00 0.00 43.02 40.89 1yel s PHE 62 CO 0.03 -0.32 0.42 -0.51 -0.10 0.00 0.00 175.22 174.74 1yel s LEU 63 N 0.22 5.82 0.00 -0.37 1.02 -0.73 0.30 118.68 124.94 1yel s LEU 63 Ca -0.13 -1.58 0.00 0.00 0.02 0.00 0.00 54.13 52.44 1yel s LEU 63 Cb -0.16 -2.16 0.00 0.00 0.02 0.00 0.00 46.19 43.89 1yel s LEU 63 CO 0.06 -0.73 0.00 1.07 0.02 0.00 0.00 176.35 176.77 1yel n THR 64 N 5.17 0.00 -1.67 5.49 5.66 0.13 -0.29 114.28 128.77 1yel n THR 64 Ca -0.12 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.41 1yel n THR 64 Cb 0.42 -0.09 -0.04 0.00 -1.55 0.00 0.00 70.33 69.06 1yel n THR 64 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1yel n VAL 65 N 0.00 0.25 0.00 1.08 0.31 -1.26 -1.42 118.33 117.29 1yel n VAL 65 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1yel n VAL 65 Cb 0.00 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1yel n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yel n GLY 66 N 3.84 4.34 0.26 2.92 0.00 -1.26 -3.11 105.19 112.18 1yel n GLY 66 Ca 0.19 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.47 1yel n GLY 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1yel h TRP 67 N 0.00 0.00 -0.03 1.61 2.91 -1.48 -2.18 115.95 116.79 1yel h TRP 67 Ca 0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1yel h TRP 67 Cb 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1yel h TRP 67 CO 0.00 0.13 -0.04 1.49 -1.03 0.00 0.00 178.44 178.99 1yel h GLU 68 N 0.00 0.04 -0.58 2.65 4.81 -1.78 0.40 114.58 120.12 1yel h GLU 68 Ca -0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1yel h GLU 68 Cb 0.38 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1yel h GLU 68 CO 0.02 0.09 0.35 -0.91 -0.73 0.00 0.00 179.01 177.83 1yel h ASN 69 N 0.04 0.56 -0.07 1.04 2.35 -1.78 -0.89 115.58 116.84 1yel h ASN 69 Ca 0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1yel h ASN 69 Cb 0.11 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1yel h ASN 69 CO 0.01 0.39 -0.26 0.15 -1.65 0.00 0.00 177.43 176.07 1yel h PHE 70 N 0.69 0.39 -0.56 1.19 3.04 -1.11 0.18 116.94 120.75 1yel h PHE 70 Ca 0.23 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 1yel h PHE 70 Cb 0.03 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 1yel h PHE 70 CO -0.06 0.88 0.25 -0.24 -2.02 0.00 0.00 178.31 177.12 1yel h VAL 71 N -0.21 1.21 -0.16 1.41 3.04 -1.00 0.34 116.25 120.87 1yel h VAL 71 Ca -0.01 -0.63 -0.14 0.00 -1.01 0.00 0.00 66.70 64.91 1yel h VAL 71 Cb 0.90 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1yel h VAL 71 CO 0.06 0.25 -0.43 0.50 -1.01 0.00 0.00 177.57 176.93 1yel h LYS 72 N 0.77 0.58 0.00 4.17 3.11 -1.21 -1.92 116.57 122.08 1yel h LYS 72 Ca 0.19 -0.41 -0.26 0.00 -2.81 0.00 0.00 60.65 57.37 1yel h LYS 72 Cb 0.15 0.06 0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1yel h LYS 72 CO -0.02 1.02 -1.01 0.22 -2.81 0.00 0.00 179.45 176.85 1yel h ASP 73 N 0.24 0.89 1.32 4.20 3.58 -0.19 -3.21 116.42 123.24 1yel h ASP 73 Ca -0.01 -0.74 -0.03 0.00 0.42 0.00 0.00 57.03 56.67 1yel h ASP 73 Cb 1.04 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 1yel h ASP 73 CO 0.09 1.51 -0.69 -1.13 -2.88 0.00 0.00 179.24 176.15 1yel h ASN 74 N 0.35 0.00 -5.20 2.28 -0.73 -0.49 -3.50 115.58 108.29 1yel h ASN 74 Ca -0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.05 1yel h ASN 74 Cb 1.67 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 40.20 1yel h ASN 74 CO 0.20 0.10 -1.22 -3.20 -0.37 0.00 0.00 177.43 172.94 1yel n ASN 75 N -2.88 -4.52 -3.89 1.15 2.85 -0.72 -4.43 115.26 102.82 1yel n ASN 75 Ca 0.00 1.33 -0.11 0.00 -0.11 0.00 0.00 54.58 55.69 1yel n ASN 75 Cb 0.59 -4.93 -0.11 0.00 1.24 0.00 0.00 39.78 36.57 1yel n ASN 75 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1yel s LEU 76 N -1.09 1.76 0.42 1.20 2.34 -1.21 -4.69 118.68 117.41 1yel s LEU 76 Ca -0.13 -0.13 0.07 0.00 0.06 0.00 0.00 54.13 54.00 1yel s LEU 76 Cb 0.01 0.40 -0.06 0.00 -0.56 0.00 0.00 46.19 45.98 1yel s LEU 76 CO 0.71 -0.22 0.12 -1.83 -1.06 0.00 0.00 176.35 174.07 1yel s GLU 77 N -0.86 2.13 0.26 1.48 1.03 -1.26 -4.99 118.70 116.50 1yel s GLU 77 Ca -0.09 -1.98 -0.30 0.00 0.03 0.00 0.00 54.97 52.63 1yel s GLU 77 Cb -0.06 -1.84 -0.13 0.00 -0.80 0.00 0.00 34.13 31.30 1yel s GLU 77 CO 0.00 -0.13 1.29 -3.47 -1.33 0.00 0.00 175.26 171.63 1yel n ASP 78 N -1.17 2.37 0.00 0.83 -0.08 -1.26 -3.42 116.55 113.83 1yel n ASP 78 Ca -0.04 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1yel n ASP 78 Cb 0.66 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1yel n ASP 78 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yel n GLY 79 N 1.67 1.26 3.92 0.27 0.00 -1.09 -4.93 105.19 106.29 1yel n GLY 79 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1yel n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yel s LYS 80 N -0.30 3.37 -0.03 1.61 1.02 -1.22 -4.90 119.74 119.28 1yel s LYS 80 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 55.97 55.99 1yel s LYS 80 Cb 0.00 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1yel s LYS 80 CO 0.00 -0.21 -0.18 0.71 -0.92 0.00 0.00 175.35 174.75 1yel s TYR 81 N -2.66 1.69 0.05 3.18 1.51 -1.26 -0.98 117.35 118.87 1yel s TYR 81 Ca 0.47 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 56.22 1yel s TYR 81 Cb -0.10 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1yel s TYR 81 CO 0.42 -0.10 -0.25 -0.51 -1.11 0.00 0.00 175.55 174.01 1yel s LEU 82 N -0.21 2.17 -0.18 -1.29 1.02 -0.97 -1.57 118.68 117.65 1yel s LEU 82 Ca 0.02 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 53.55 1yel s LEU 82 Cb -0.09 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 1yel s LEU 82 CO 0.01 0.23 -0.03 -1.10 0.02 0.00 0.00 176.35 175.48 1yel s GLN 83 N -1.25 3.58 -0.26 1.70 -0.21 0.16 -1.23 119.66 122.16 1yel s GLN 83 Ca 0.11 -0.55 -0.05 0.00 0.02 0.00 0.00 55.36 54.89 1yel s GLN 83 Cb -0.10 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 30.94 1yel s GLN 83 CO 0.02 0.08 0.01 -0.06 -2.12 0.00 0.00 175.29 173.22 1yel s PHE 84 N 0.80 3.06 -0.25 0.91 0.08 0.81 -1.05 117.98 122.34 1yel s PHE 84 Ca -0.01 -0.98 -0.13 0.00 0.12 0.00 0.00 56.93 55.93 1yel s PHE 84 Cb -0.14 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1yel s PHE 84 CO 0.02 -0.56 0.26 0.42 -0.10 0.00 0.00 175.22 175.26 1yel s ILE 85 N 1.48 5.27 -0.22 0.64 1.01 -0.01 -1.04 121.20 128.33 1yel s ILE 85 Ca 0.04 0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.98 1yel s ILE 85 Cb -0.16 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1yel s ILE 85 CO -0.00 0.26 0.06 -0.47 0.00 0.00 0.00 174.94 174.78 1yel s TYR 86 N 1.54 3.12 -0.62 3.97 6.14 0.10 -1.17 117.35 130.43 1yel s TYR 86 Ca 0.11 -0.28 0.05 0.00 0.64 0.00 0.00 57.07 57.59 1yel s TYR 86 Cb -0.15 -2.17 0.17 0.00 0.42 0.00 0.00 41.96 40.23 1yel s TYR 86 CO 0.08 -0.20 0.45 0.34 0.64 0.00 0.00 175.55 176.86 1yel s ASP 87 N 1.19 3.88 -1.11 4.32 2.15 -1.24 -0.78 116.67 125.09 1yel s ASP 87 Ca 0.04 -3.63 -0.00 0.00 0.43 0.00 0.00 52.55 49.39 1yel s ASP 87 Cb -0.14 -1.30 0.00 0.00 -0.30 0.00 0.00 42.92 41.18 1yel s ASP 87 CO 0.03 -0.11 0.01 0.54 -0.17 0.00 0.00 175.17 175.47 1yel n ARG 88 N 2.22 -2.22 -3.15 4.34 5.12 -1.26 -4.80 116.66 116.90 1yel n ARG 88 Ca 0.22 0.62 -0.06 0.00 -1.93 0.00 0.00 57.85 56.71 1yel n ARG 88 Cb 0.39 -5.23 0.02 0.00 -1.16 0.00 0.00 32.46 26.48 1yel n ARG 88 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1yel n ASP 89 N -1.83 -1.68 -2.24 0.55 -0.08 -1.26 -5.00 116.55 105.01 1yel n ASP 89 Ca -0.15 -2.11 -0.28 0.00 -1.51 0.00 0.00 54.79 50.73 1yel n ASP 89 Cb 0.62 2.78 0.05 0.00 2.34 0.00 0.00 41.12 46.91 1yel n ASP 89 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1yel n ARG 90 N -0.44 2.36 -4.73 -0.67 0.63 -1.26 -4.83 116.66 107.72 1yel n ARG 90 Ca -0.06 -2.62 -0.25 0.00 -0.92 0.00 0.00 57.85 53.99 1yel n ARG 90 Cb 0.45 -2.04 -0.16 0.00 0.45 0.00 0.00 32.46 31.16 1yel n ARG 90 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1yel s THR 91 N -3.74 1.31 -0.01 5.15 2.01 -1.26 -3.13 115.64 115.95 1yel s THR 91 Ca 0.51 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1yel s THR 91 Cb 0.40 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1yel s THR 91 CO -0.06 0.39 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.70 1yel s PHE 92 N 0.34 1.71 -0.22 4.92 0.40 -0.54 -3.59 117.98 121.01 1yel s PHE 92 Ca -0.10 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.82 1yel s PHE 92 Cb -0.14 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 1yel s PHE 92 CO 0.03 -0.03 0.12 0.71 0.70 0.00 0.00 175.22 176.75 1yel s TYR 93 N -0.45 3.28 -0.25 0.36 2.02 -0.31 -1.07 117.35 120.93 1yel s TYR 93 Ca 0.07 0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.83 1yel s TYR 93 Cb -0.07 -2.20 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1yel s TYR 93 CO -0.01 0.07 0.04 0.08 -1.57 0.00 0.00 175.55 174.16 1yel s VAL 94 N 0.84 3.99 -0.19 0.71 1.01 -0.23 -0.83 120.40 125.71 1yel s VAL 94 Ca 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1yel s VAL 94 Cb -0.13 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1yel s VAL 94 CO 0.03 0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1yel s ILE 95 N 1.56 3.36 -0.05 2.22 1.01 -0.22 -4.67 121.20 124.41 1yel s ILE 95 Ca 0.06 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.23 1yel s ILE 95 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1yel s ILE 95 CO 0.01 0.46 -0.15 -0.51 0.00 0.00 0.00 174.94 174.75 1yel s ILE 96 N 1.05 2.97 -0.38 2.92 2.07 -1.26 0.37 121.20 128.93 1yel s ILE 96 Ca 0.00 -0.75 -0.23 0.00 -1.41 0.00 0.00 60.65 58.26 1yel s ILE 96 Cb -0.15 -2.16 0.01 0.00 0.13 0.00 0.00 42.46 40.30 1yel s ILE 96 CO -0.00 0.59 0.79 -0.31 -1.91 0.00 0.00 174.94 174.09 1yel s TYR 97 N -0.64 3.08 0.00 3.50 2.02 -0.61 -4.25 117.35 120.45 1yel s TYR 97 Ca 0.10 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 1yel s TYR 97 Cb -0.11 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 37.98 1yel s TYR 97 CO 0.01 -0.80 0.00 0.41 -1.57 0.00 0.00 175.55 173.60 1yel n GLY 98 N 4.64 0.61 3.54 0.71 0.00 -1.26 -4.35 105.19 109.08 1yel n GLY 98 Ca 0.03 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1yel n GLY 98 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1yel s HIS 99 N -2.26 3.15 -0.00 1.61 -3.43 -1.26 -5.03 115.29 108.07 1yel s HIS 99 Ca 0.00 0.10 -0.30 0.00 -0.80 0.00 0.00 55.06 54.06 1yel s HIS 99 Cb 0.00 -3.04 -0.05 0.00 -1.43 0.00 0.00 32.58 28.06 1yel s HIS 99 CO 0.00 -0.63 1.33 1.21 -2.00 0.00 0.00 174.74 174.65 1yel s ASN 100 N 1.82 6.92 0.00 7.38 2.47 -1.26 -4.87 114.94 127.39 1yel s ASN 100 Ca 0.20 2.04 0.07 0.00 0.42 0.00 0.00 52.86 55.58 1yel s ASN 100 Cb -0.15 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.04 1yel s ASN 100 CO 0.15 -0.66 0.37 0.80 -3.72 0.00 0.00 177.10 174.04 1yel n MET 101 N 5.13 3.90 0.00 0.43 0.00 -1.26 -4.96 117.12 120.35 1yel n MET 101 Ca 0.12 -0.17 0.14 0.00 -0.00 0.00 0.00 57.70 57.78 1yel n MET 101 Cb 0.44 -0.88 0.43 0.00 0.00 0.00 0.00 33.22 33.21 1yel n MET 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97