#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yel n ALA 2 N 0.00 2.40 -2.44 -5.12 0.00 -1.26 -4.89 120.51 109.20 1yel n ALA 2 Ca 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 53.44 49.89 1yel n ALA 2 Cb 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1yel n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yel s ASP 3 N -1.61 0.30 0.00 0.00 1.11 -1.26 -5.02 116.67 110.19 1yel s ASP 3 Ca 0.37 -0.75 0.00 0.00 0.18 0.00 0.00 52.55 52.35 1yel s ASP 3 Cb 0.22 0.23 0.00 0.00 1.07 0.00 0.00 42.92 44.44 1yel s ASP 3 CO -0.10 -0.58 0.00 0.41 1.18 0.00 0.00 175.17 176.08 1yel n THR 4 N 0.37 0.00 0.00 -1.27 -1.04 -1.26 -5.16 114.28 105.92 1yel n THR 4 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1yel n THR 4 Cb 0.60 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1yel n THR 4 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yel n GLY 5 N -1.19 0.49 3.57 3.41 0.00 -1.26 -4.99 105.19 105.23 1yel n GLY 5 Ca 0.00 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1yel n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yel s GLU 6 N -1.97 3.32 -0.01 1.61 -6.30 -1.26 -4.85 118.70 109.24 1yel s GLU 6 Ca 0.00 0.39 0.04 0.00 -2.50 0.00 0.00 54.97 52.90 1yel s GLU 6 Cb 0.00 -4.11 -0.01 0.00 0.00 0.00 0.00 34.13 30.01 1yel s GLU 6 CO 0.00 -1.92 -0.14 0.14 0.02 0.00 0.00 175.26 173.37 1yel s VAL 7 N 5.91 1.09 0.02 3.70 -7.23 -1.25 -5.05 120.40 117.59 1yel s VAL 7 Ca 0.50 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 60.10 1yel s VAL 7 Cb -0.10 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1yel s VAL 7 CO 0.24 0.31 -0.05 0.00 -0.31 0.00 0.00 175.10 175.29 1yel s GLN 8 N -0.31 0.40 0.04 4.82 -2.07 -1.26 -0.48 119.66 120.80 1yel s GLN 8 Ca 0.05 -0.43 0.02 0.00 -1.82 0.00 0.00 55.36 53.18 1yel s GLN 8 Cb -0.05 -0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 31.59 1yel s GLN 8 CO -0.00 0.06 -0.07 0.12 -1.32 0.00 0.00 175.29 174.07 1yel s PHE 9 N -0.73 0.62 0.20 9.60 5.36 -0.86 -4.91 117.98 127.26 1yel s PHE 9 Ca -0.05 -0.46 0.05 0.00 -0.96 0.00 0.00 56.93 55.51 1yel s PHE 9 Cb -0.06 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 42.21 1yel s PHE 9 CO -0.00 -0.08 0.25 0.00 -1.46 0.00 0.00 175.22 173.93 1yel s MET 10 N -1.42 3.21 -0.13 10.12 0.23 -1.26 -1.58 119.30 128.46 1yel s MET 10 Ca -0.09 -0.80 -0.20 0.00 -1.03 0.00 0.00 55.69 53.57 1yel s MET 10 Cb -0.09 -2.79 0.05 0.00 -1.53 0.00 0.00 34.83 30.47 1yel s MET 10 CO 0.00 0.46 0.51 -1.59 -2.03 0.00 0.00 175.02 172.37 1yel s LYS 11 N -3.52 0.72 0.15 3.16 -2.85 -1.18 -5.00 119.74 111.22 1yel s LYS 11 Ca 0.33 0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 55.43 1yel s LYS 11 Cb -0.10 0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 1yel s LYS 11 CO 0.27 -0.15 1.10 -2.14 0.10 0.00 0.00 175.35 174.52 1yel s PRO 12 N -0.39 4.58 -0.08 1.78 0.02 -1.26 -4.24 135.00 135.42 1yel s PRO 12 Ca -0.05 1.69 -0.01 0.00 0.02 0.00 0.00 61.00 62.65 1yel s PRO 12 Cb -0.03 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 1yel s PRO 12 CO 0.03 0.04 -0.00 -0.06 -0.33 0.00 0.00 177.00 176.68 1yel s PHE 13 N -0.01 3.15 -0.23 6.54 0.40 -1.26 -4.92 117.98 121.64 1yel s PHE 13 Ca 0.50 0.18 0.02 0.00 -0.60 0.00 0.00 56.93 57.04 1yel s PHE 13 Cb -0.29 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.51 1yel s PHE 13 CO 0.34 0.46 -0.14 0.42 0.70 0.00 0.00 175.22 177.00 1yel s ILE 14 N -0.90 2.11 0.48 0.64 1.01 -1.26 -4.31 121.20 118.98 1yel s ILE 14 Ca 0.14 -1.38 0.17 0.00 0.00 0.00 0.00 60.65 59.58 1yel s ILE 14 Cb -0.11 -2.12 0.33 0.00 0.01 0.00 0.00 42.46 40.57 1yel s ILE 14 CO 0.03 0.17 2.03 -1.28 0.00 0.00 0.00 174.94 175.88 1yel h SER 15 N 7.83 0.18 -0.56 3.58 0.87 -1.90 0.35 113.55 123.92 1yel h SER 15 Ca -0.28 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1yel h SER 15 Cb 1.08 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1yel h SER 15 CO 0.52 0.12 0.34 -0.08 -0.53 0.00 0.00 176.83 177.20 1yel h GLU 16 N 0.21 0.76 0.14 2.24 4.81 -1.97 -0.03 114.58 120.74 1yel h GLU 16 Ca 0.20 -0.07 -0.36 0.00 -0.13 0.00 0.00 59.36 59.00 1yel h GLU 16 Cb 0.52 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1yel h GLU 16 CO -0.03 0.54 -1.93 -0.22 -0.73 0.00 0.00 179.01 176.63 1yel h LYS 17 N 0.76 0.30 0.00 1.92 3.64 -1.55 -3.34 116.57 118.30 1yel h LYS 17 Ca 0.20 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1yel h LYS 17 Cb -0.03 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1yel h LYS 17 CO -0.04 1.24 0.00 0.43 -2.27 0.00 0.00 179.45 178.82 1yel n SER 18 N -3.52 0.00 0.18 4.20 7.64 0.11 -0.45 113.62 121.78 1yel n SER 18 Ca -0.30 -1.11 0.14 0.00 1.01 0.00 0.00 58.87 58.61 1yel n SER 18 Cb 1.05 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 64.72 1yel n SER 18 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1yel h SER 19 N 0.00 0.00 0.00 6.43 0.87 -1.11 -3.39 113.55 116.35 1yel h SER 19 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1yel h SER 19 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1yel h SER 19 CO 0.00 0.00 -0.24 2.29 -0.53 0.00 0.00 176.83 178.35 1yel n LYS 20 N -2.63 0.38 -3.84 2.24 2.85 -0.59 -4.65 118.16 111.92 1yel n LYS 20 Ca 0.03 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.17 1yel n LYS 20 Cb 0.35 -0.62 -0.11 0.00 -0.65 0.00 0.00 35.03 34.00 1yel n LYS 20 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1yel s SER 21 N -2.53 -0.08 -0.27 -5.58 1.04 0.40 -3.88 113.70 102.81 1yel s SER 21 Ca 0.00 0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1yel s SER 21 Cb 0.00 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1yel s SER 21 CO 0.00 -0.18 0.18 -0.22 0.98 0.00 0.00 173.24 174.00 1yel s LEU 22 N -0.51 4.04 -0.12 2.42 0.20 0.74 -2.57 118.68 122.88 1yel s LEU 22 Ca -0.06 0.02 -0.24 0.00 0.69 0.00 0.00 54.13 54.54 1yel s LEU 22 Cb -0.04 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.58 1yel s LEU 22 CO 0.01 -0.02 0.74 -1.83 -0.29 0.00 0.00 176.35 174.95 1yel s GLU 23 N 1.60 4.36 -0.15 1.98 -1.05 -1.26 -1.20 118.70 122.98 1yel s GLU 23 Ca 0.07 0.90 -0.12 0.00 -0.15 0.00 0.00 54.97 55.67 1yel s GLU 23 Cb -0.15 -3.51 -0.05 0.00 -0.44 0.00 0.00 34.13 29.98 1yel s GLU 23 CO 0.10 -0.11 0.23 0.42 0.95 0.00 0.00 175.26 176.85 1yel s ILE 24 N 1.39 5.34 0.54 1.83 -1.09 -1.03 -4.93 121.20 123.25 1yel s ILE 24 Ca 0.37 0.42 -0.21 0.00 -2.23 0.00 0.00 60.65 59.01 1yel s ILE 24 Cb -0.17 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1yel s ILE 24 CO 0.15 0.46 1.23 -2.84 -1.23 0.00 0.00 174.94 172.72 1yel s PRO 25 N 0.04 3.24 0.56 2.79 0.02 -1.26 -4.55 135.00 135.83 1yel s PRO 25 Ca 0.15 1.91 0.32 0.00 0.02 0.00 0.00 61.00 63.40 1yel s PRO 25 Cb -0.13 -2.14 1.60 0.00 0.02 0.00 0.00 34.50 33.86 1yel s PRO 25 CO 0.03 -1.02 2.10 -0.07 -0.33 0.00 0.00 177.00 177.71 1yel h LEU 26 N 1.35 0.00 -2.56 -5.54 4.07 -1.97 -1.87 115.31 108.79 1yel h LEU 26 Ca -0.50 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.45 1yel h LEU 26 Cb 1.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 1yel h LEU 26 CO 0.57 0.07 -0.02 1.23 -1.08 0.00 0.00 178.44 179.22 1yel h GLY 27 N 1.06 0.00 0.18 0.83 0.00 -1.97 0.43 103.07 103.59 1yel h GLY 27 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yel h GLY 27 CO 0.01 0.00 -0.01 -2.75 0.00 0.00 0.00 176.54 173.78 1yel h PHE 28 N 0.00 -0.04 -0.29 5.60 3.04 -1.71 -2.94 116.94 120.60 1yel h PHE 28 Ca -0.00 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.84 1yel h PHE 28 Cb 0.11 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1yel h PHE 28 CO 0.00 0.66 -0.29 -0.97 -2.02 0.00 0.00 178.31 175.68 1yel h ASN 29 N -0.86 0.61 0.62 0.41 -1.24 -1.40 -0.14 115.58 113.58 1yel h ASN 29 Ca -0.00 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 56.71 1yel h ASN 29 Cb 0.71 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1yel h ASN 29 CO 0.01 0.87 -0.29 -0.08 -1.29 0.00 0.00 177.43 176.65 1yel h GLU 30 N 0.51 0.00 0.00 6.67 4.57 -0.32 -2.62 114.58 123.39 1yel h GLU 30 Ca 0.06 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.04 1yel h GLU 30 Cb 0.77 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 1yel h GLU 30 CO 0.06 0.29 -1.22 -0.92 -1.18 0.00 0.00 179.01 176.04 1yel h TYR 31 N 0.00 0.00 -0.52 0.92 3.20 -1.16 -3.46 116.97 115.94 1yel h TYR 31 Ca -0.00 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.08 1yel h TYR 31 Cb 0.69 0.00 -0.23 0.00 1.54 0.00 0.00 36.73 38.73 1yel h TYR 31 CO 0.00 0.82 0.21 -0.59 -1.64 0.00 0.00 178.16 176.97 1yel s PHE 32 N -2.77 -0.53 0.35 -3.82 -0.71 -0.14 -4.95 117.98 105.42 1yel s PHE 32 Ca -0.01 0.72 -0.15 0.00 -1.04 0.00 0.00 56.93 56.45 1yel s PHE 32 Cb 0.09 0.24 -0.09 0.00 -1.21 0.00 0.00 43.02 42.05 1yel s PHE 32 CO 0.81 -0.28 0.77 -1.25 -1.34 0.00 0.00 175.22 173.93 1yel s PRO 33 N 2.66 3.99 0.03 1.99 0.05 -1.16 -4.29 135.00 138.27 1yel s PRO 33 Ca -0.01 0.70 -0.00 0.00 0.05 0.00 0.00 61.00 61.74 1yel s PRO 33 Cb -0.08 -2.39 -0.02 0.00 0.05 0.00 0.00 34.50 32.06 1yel s PRO 33 CO -0.14 0.09 -0.03 0.00 0.05 0.00 0.00 177.00 176.97 1yel s ALA 34 N -2.08 0.24 0.20 8.56 0.00 -1.26 -4.83 121.76 122.58 1yel s ALA 34 Ca 0.55 -0.73 -0.32 0.00 0.00 0.00 0.00 51.96 51.46 1yel s ALA 34 Cb -0.10 0.17 -0.11 0.00 0.00 0.00 0.00 23.12 23.07 1yel s ALA 34 CO 0.19 -0.19 1.67 -2.14 0.00 0.00 0.00 175.76 175.29 1yel s PRO 35 N -1.98 4.15 -0.24 0.00 0.02 -1.26 -4.87 135.00 130.82 1yel s PRO 35 Ca -0.11 2.54 -0.29 0.00 0.02 0.00 0.00 61.00 63.16 1yel s PRO 35 Cb -0.06 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 1yel s PRO 35 CO -0.03 -0.70 1.63 -0.59 -0.33 0.00 0.00 177.00 176.98 1yel s PHE 36 N 1.04 2.08 0.17 6.54 -0.71 -1.26 -4.97 117.98 120.88 1yel s PHE 36 Ca 0.72 0.56 -0.30 0.00 -1.04 0.00 0.00 56.93 56.87 1yel s PHE 36 Cb -0.48 -4.01 -0.07 0.00 -1.21 0.00 0.00 43.02 37.25 1yel s PHE 36 CO 0.33 -2.90 1.00 -1.25 -1.34 0.00 0.00 175.22 171.06 1yel s PRO 37 N 4.79 4.71 0.03 1.99 0.04 -1.26 -4.94 135.00 140.37 1yel s PRO 37 Ca 0.72 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 1yel s PRO 37 Cb -0.24 -3.32 -0.15 0.00 0.04 0.00 0.00 34.50 30.83 1yel s PRO 37 CO 0.30 0.26 1.33 0.82 0.04 0.00 0.00 177.00 179.75 1yel h ILE 38 N 3.67 1.35 -3.98 0.56 1.08 -1.94 -3.19 117.51 115.07 1yel h ILE 38 Ca -0.44 -1.31 -0.60 0.00 -0.39 0.00 0.00 64.86 62.11 1yel h ILE 38 Cb 1.21 1.91 -0.23 0.00 -3.07 0.00 0.00 36.82 36.64 1yel h ILE 38 CO 0.71 0.38 -0.84 0.42 -0.69 0.00 0.00 178.15 178.13 1yel s THR 39 N -4.27 1.88 0.01 -0.27 -4.23 -1.26 -3.02 115.64 104.48 1yel s THR 39 Ca -0.14 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1yel s THR 39 Cb 0.05 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 1yel s THR 39 CO 0.75 0.04 -0.08 -0.69 -0.54 0.00 0.00 174.62 174.10 1yel s VAL 40 N -1.06 0.57 -0.11 2.29 1.01 0.12 -4.90 120.40 118.32 1yel s VAL 40 Ca 0.09 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1yel s VAL 40 Cb -0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1yel s VAL 40 CO 0.04 -0.02 -0.16 -0.62 0.00 0.00 0.00 175.10 174.35 1yel s ASP 41 N -0.65 3.81 -0.16 3.32 2.15 0.26 0.01 116.67 125.41 1yel s ASP 41 Ca -0.01 -0.36 -0.04 0.00 0.43 0.00 0.00 52.55 52.57 1yel s ASP 41 Cb -0.05 -1.46 -0.03 0.00 -0.30 0.00 0.00 42.92 41.09 1yel s ASP 41 CO 0.00 0.19 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.39 1yel s LEU 42 N 0.20 3.22 0.11 -1.34 1.43 0.14 -0.90 118.68 121.54 1yel s LEU 42 Ca -0.10 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1yel s LEU 42 Cb -0.16 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1yel s LEU 42 CO 0.06 0.15 0.21 -0.76 0.23 0.00 0.00 176.35 176.24 1yel s LEU 43 N 0.45 4.21 0.37 1.79 2.01 -0.62 -0.00 118.68 126.89 1yel s LEU 43 Ca -0.04 0.15 0.08 0.00 0.01 0.00 0.00 54.13 54.33 1yel s LEU 43 Cb -0.14 -2.81 -0.04 0.00 0.01 0.00 0.00 46.19 43.20 1yel s LEU 43 CO 0.03 0.11 0.17 -0.62 1.01 0.00 0.00 176.35 177.05 1yel s ASP 44 N -2.83 4.61 -0.09 2.29 2.15 -0.42 -3.62 116.67 118.76 1yel s ASP 44 Ca 0.34 -0.87 -0.27 0.00 0.43 0.00 0.00 52.55 52.17 1yel s ASP 44 Cb -0.12 -0.63 -0.24 0.00 -0.30 0.00 0.00 42.92 41.63 1yel s ASP 44 CO 0.27 -0.40 0.95 1.88 -0.17 0.00 0.00 175.17 177.71 1yel h TYR 45 N 1.48 0.07 0.00 -5.34 0.05 -1.92 -3.40 116.97 107.92 1yel h TYR 45 Ca -0.43 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1yel h TYR 45 Cb 1.25 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.98 1yel h TYR 45 CO 0.62 0.87 -0.07 0.77 -1.05 0.00 0.00 178.16 179.30 1yel h SER 46 N -0.74 0.00 0.00 3.88 0.02 -2.03 -3.47 113.55 111.20 1yel h SER 46 Ca -0.01 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1yel h SER 46 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1yel h SER 46 CO 0.02 1.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.32 1yel n GLY 47 N 1.61 0.26 3.80 -3.77 0.00 -1.26 -5.15 105.19 100.68 1yel n GLY 47 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 2.97 -0.15 1.61 1.81 -1.26 -4.92 118.95 119.01 1yel s ARG 48 Ca 0.00 1.10 -0.11 0.00 -1.72 0.00 0.00 55.73 54.99 1yel s ARG 48 Cb 0.00 -1.99 0.05 0.00 -0.45 0.00 0.00 34.95 32.56 1yel s ARG 48 CO 0.00 -1.08 0.39 -1.54 -0.68 0.00 0.00 175.30 172.39 1yel s SER 49 N -3.32 -0.45 -0.04 0.23 1.04 -1.26 -1.29 113.70 108.61 1yel s SER 49 Ca 0.61 0.82 0.03 0.00 0.48 0.00 0.00 55.95 57.89 1yel s SER 49 Cb -0.15 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1yel s SER 49 CO 0.48 -0.16 -0.13 0.26 0.98 0.00 0.00 173.24 174.66 1yel s TRP 50 N 0.76 1.40 -0.28 5.02 0.51 0.99 -4.95 118.94 122.39 1yel s TRP 50 Ca -0.04 -0.41 -0.12 0.00 -2.12 0.00 0.00 56.10 53.40 1yel s TRP 50 Cb -0.06 -0.97 -0.05 0.00 -0.81 0.00 0.00 33.47 31.59 1yel s TRP 50 CO -0.05 -0.16 0.26 0.99 -0.51 0.00 0.00 176.95 177.47 1yel s THR 51 N 0.21 5.26 0.21 2.01 2.01 -1.26 0.24 115.64 124.31 1yel s THR 51 Ca -0.05 0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.38 1yel s THR 51 Cb -0.11 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1yel s THR 51 CO 0.02 0.22 -0.21 0.54 -0.69 0.00 0.00 174.62 174.49 1yel s VAL 52 N 1.87 2.50 -0.14 3.82 0.11 0.10 -4.43 120.40 124.23 1yel s VAL 52 Ca 0.10 -2.04 -0.06 0.00 -2.93 0.00 0.00 61.98 57.05 1yel s VAL 52 Cb -0.16 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1yel s VAL 52 CO 0.11 -0.16 0.07 -0.60 -3.33 0.00 0.00 175.10 171.18 1yel s ARG 53 N -2.84 3.54 0.06 1.54 3.52 -1.16 0.16 118.95 123.77 1yel s ARG 53 Ca 0.23 -0.29 0.08 0.00 -0.13 0.00 0.00 55.73 55.62 1yel s ARG 53 Cb -0.08 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 1yel s ARG 53 CO 0.11 0.56 -0.21 1.41 -0.81 0.00 0.00 175.30 176.36 1yel s MET 54 N -0.43 1.90 -0.12 5.12 -2.45 -1.17 -0.58 119.30 121.59 1yel s MET 54 Ca 0.10 -1.08 -0.07 0.00 -1.25 0.00 0.00 55.69 53.40 1yel s MET 54 Cb -0.12 -2.10 0.05 0.00 1.25 0.00 0.00 34.83 33.91 1yel s MET 54 CO 0.02 0.52 0.28 0.21 1.05 0.00 0.00 175.02 177.09 1yel s LYS 55 N -1.53 0.25 -0.30 4.11 2.20 -0.19 -4.40 119.74 119.88 1yel s LYS 55 Ca 0.14 0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 1yel s LYS 55 Cb -0.10 -0.07 0.05 0.00 -1.51 0.00 0.00 37.83 36.20 1yel s LYS 55 CO 0.05 -0.14 -0.00 0.21 -0.36 0.00 0.00 175.35 175.10 1yel s LYS 56 N 1.12 2.49 -0.23 4.03 2.20 -1.26 -1.93 119.74 126.15 1yel s LYS 56 Ca -0.08 -1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 54.26 1yel s LYS 56 Cb -0.09 -3.17 0.08 0.00 -1.51 0.00 0.00 37.83 33.14 1yel s LYS 56 CO -0.08 -0.60 0.13 0.50 -0.36 0.00 0.00 175.35 174.94 1yel s ARG 57 N 1.27 0.14 0.24 4.03 3.00 -1.22 -4.91 118.95 121.50 1yel s ARG 57 Ca -0.05 -0.28 0.00 0.00 -1.00 0.00 0.00 55.73 54.41 1yel s ARG 57 Cb -0.19 -1.42 0.00 0.00 0.00 0.00 0.00 34.95 33.33 1yel s ARG 57 CO -0.01 -0.85 0.00 0.41 0.00 0.00 0.00 175.30 174.85 1yel n GLY 58 N 5.27 -1.57 0.82 8.12 0.00 -1.26 -4.31 105.19 112.26 1yel n GLY 58 Ca -0.06 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.17 1yel n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yel n GLU 59 N 0.00 2.08 -4.27 1.61 4.07 -1.26 -4.87 120.64 118.01 1yel n GLU 59 Ca 0.00 -1.62 -0.25 0.00 -0.06 0.00 0.00 57.16 55.23 1yel n GLU 59 Cb 0.00 -1.46 -0.08 0.00 -0.06 0.00 0.00 31.44 29.84 1yel n GLU 59 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1yel s LYS 60 N -1.75 2.26 -0.01 5.31 1.02 -1.26 -4.89 119.74 120.42 1yel s LYS 60 Ca 0.34 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 55.10 1yel s LYS 60 Cb 0.20 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1yel s LYS 60 CO 0.30 0.41 -0.13 0.14 -0.92 0.00 0.00 175.35 175.14 1yel s VAL 61 N -1.95 1.07 0.03 3.17 -7.23 -1.26 -3.45 120.40 110.78 1yel s VAL 61 Ca 0.28 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.89 1yel s VAL 61 Cb -0.08 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 1yel s VAL 61 CO 0.18 0.30 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.85 1yel s PHE 62 N -0.31 0.53 -0.41 2.82 0.40 -0.81 -2.46 117.98 117.75 1yel s PHE 62 Ca 0.05 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 55.81 1yel s PHE 62 Cb -0.05 -0.33 0.02 0.00 0.51 0.00 0.00 43.02 43.17 1yel s PHE 62 CO -0.00 -0.09 0.29 -0.51 0.70 0.00 0.00 175.22 175.60 1yel s LEU 63 N -1.27 5.06 0.00 -0.37 1.02 -0.34 -1.03 118.68 121.75 1yel s LEU 63 Ca -0.09 -0.92 0.00 0.00 0.02 0.00 0.00 54.13 53.14 1yel s LEU 63 Cb -0.08 -2.14 0.00 0.00 0.02 0.00 0.00 46.19 43.99 1yel s LEU 63 CO 0.00 -0.44 0.00 0.35 0.02 0.00 0.00 176.35 176.28 1yel n THR 64 N 5.13 0.00 -1.67 5.49 -2.24 0.26 -0.18 114.28 121.07 1yel n THR 64 Ca -0.11 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.21 1yel n THR 64 Cb 0.47 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1yel n THR 64 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1yel n VAL 65 N 0.00 0.06 0.00 2.28 0.31 -1.25 -1.40 118.33 118.32 1yel n VAL 65 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1yel n VAL 65 Cb 0.00 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 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 3.55 3.28 0.24 2.92 0.00 -1.26 -3.00 105.19 110.93 1yel n GLY 66 Ca 0.17 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.72 1.61 2.91 -1.45 -2.52 115.95 115.79 1yel h TRP 67 Ca 0.00 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.04 1yel h TRP 67 Cb 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 1yel h TRP 67 CO 0.00 0.17 0.48 1.49 -1.03 0.00 0.00 178.44 179.55 1yel h GLU 68 N 0.00 0.91 -0.97 2.65 4.81 -1.77 -0.59 114.58 119.62 1yel h GLU 68 Ca -0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1yel h GLU 68 Cb 0.44 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 1yel h GLU 68 CO 0.02 0.60 0.63 -0.91 -0.73 0.00 0.00 179.01 178.63 1yel h ASN 69 N 0.94 1.00 0.03 1.04 2.35 -1.79 0.15 115.58 119.30 1yel h ASN 69 Ca 0.27 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1yel h ASN 69 Cb -0.05 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.11 1yel h ASN 69 CO -0.07 0.65 -0.01 0.15 -1.65 0.00 0.00 177.43 176.50 1yel h PHE 70 N 1.14 -0.03 -0.24 1.19 3.04 -1.34 -1.06 116.94 119.64 1yel h PHE 70 Ca 0.42 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.36 1yel h PHE 70 Cb 0.16 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1yel h PHE 70 CO -0.00 0.62 0.12 -0.24 -2.02 0.00 0.00 178.31 176.79 1yel h VAL 71 N -0.74 1.14 -0.08 1.41 3.04 -0.71 0.16 116.25 120.48 1yel h VAL 71 Ca -0.00 -0.42 -0.16 0.00 -1.01 0.00 0.00 66.70 65.11 1yel h VAL 71 Cb 0.67 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1yel h VAL 71 CO 0.01 0.14 -0.64 0.07 -1.01 0.00 0.00 177.57 176.14 1yel h LYS 72 N 0.26 0.30 0.14 4.17 2.10 -0.82 0.90 116.57 123.61 1yel h LYS 72 Ca 0.08 -0.22 -0.30 0.00 -2.00 0.00 0.00 60.65 58.22 1yel h LYS 72 Cb 0.12 0.04 0.03 0.00 -0.90 0.00 0.00 32.23 31.52 1yel h LYS 72 CO -0.01 0.84 -1.24 0.22 -2.00 0.00 0.00 179.45 177.26 1yel h ASP 73 N 0.22 0.85 1.17 7.07 3.58 -0.80 -3.29 116.42 125.22 1yel h ASP 73 Ca -0.01 -0.84 0.00 0.00 0.42 0.00 0.00 57.03 56.60 1yel h ASP 73 Cb 1.17 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1yel h ASP 73 CO 0.10 1.61 -0.82 -1.13 -2.88 0.00 0.00 179.24 176.12 1yel h ASN 74 N 0.22 0.00 -5.19 2.28 -1.24 -0.79 -3.50 115.58 107.36 1yel h ASN 74 Ca -0.19 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.82 1yel h ASN 74 Cb 1.92 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 40.89 1yel h ASN 74 CO 0.24 0.00 -1.28 -3.20 -1.29 0.00 0.00 177.43 171.90 1yel n ASN 75 N -2.74 -3.68 -4.05 1.15 5.15 0.30 -5.06 115.26 106.33 1yel n ASN 75 Ca 0.01 1.32 -0.08 0.00 -0.60 0.00 0.00 54.58 55.22 1yel n ASN 75 Cb 0.54 -4.91 -0.11 0.00 -0.53 0.00 0.00 39.78 34.78 1yel n ASN 75 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1yel s LEU 76 N -0.97 2.37 0.25 1.20 0.05 -1.18 -5.05 118.68 115.36 1yel s LEU 76 Ca -0.16 -0.77 0.01 0.00 0.05 0.00 0.00 54.13 53.26 1yel s LEU 76 Cb 0.01 0.12 -0.04 0.00 -2.05 0.00 0.00 46.19 44.23 1yel s LEU 76 CO 0.71 -0.44 0.15 -1.83 -0.55 0.00 0.00 176.35 174.38 1yel s GLU 77 N -2.75 1.39 0.41 1.48 1.03 -1.26 -4.88 118.70 114.11 1yel s GLU 77 Ca -0.03 -1.76 -0.27 0.00 0.03 0.00 0.00 54.97 52.94 1yel s GLU 77 Cb -0.01 0.09 -0.10 0.00 -0.80 0.00 0.00 34.13 33.31 1yel s GLU 77 CO -0.05 -0.41 1.45 0.16 -1.33 0.00 0.00 175.26 175.07 1yel s ASP 78 N -3.26 6.13 0.00 0.83 -4.77 -1.26 -3.51 116.67 110.82 1yel s ASP 78 Ca 0.38 2.96 0.00 0.00 -3.30 0.00 0.00 52.55 52.60 1yel s ASP 78 Cb 0.06 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 1yel s ASP 78 CO 0.15 -1.01 0.00 0.61 0.70 0.00 0.00 175.17 175.62 1yel n GLY 79 N 0.53 1.23 3.39 2.12 0.00 -1.26 -4.96 105.19 106.25 1yel n GLY 79 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.06 1.42 -0.01 1.61 1.02 -1.23 -4.98 119.74 117.52 1yel s LYS 80 Ca 0.00 -1.44 0.03 0.00 0.02 0.00 0.00 55.97 54.58 1yel s LYS 80 Cb 0.00 -1.75 -0.01 0.00 -0.52 0.00 0.00 37.83 35.55 1yel s LYS 80 CO 0.00 0.39 -0.10 0.71 -0.92 0.00 0.00 175.35 175.43 1yel s TYR 81 N -1.53 0.87 0.02 3.18 2.02 -1.17 -4.42 117.35 116.31 1yel s TYR 81 Ca 0.17 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 1yel s TYR 81 Cb -0.08 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 1yel s TYR 81 CO 0.08 -0.02 -0.07 -0.48 -1.57 0.00 0.00 175.55 173.49 1yel s LEU 82 N -0.19 2.12 0.01 -1.29 2.34 -1.26 0.34 118.68 120.75 1yel s LEU 82 Ca 0.03 -0.30 0.03 0.00 0.06 0.00 0.00 54.13 53.95 1yel s LEU 82 Cb -0.04 -0.25 -0.03 0.00 -0.56 0.00 0.00 46.19 45.30 1yel s LEU 82 CO -0.00 -0.04 -0.06 -1.10 -1.06 0.00 0.00 176.35 174.09 1yel s GLN 83 N -0.77 2.56 -0.13 1.48 -0.21 0.21 -3.13 119.66 119.67 1yel s GLN 83 Ca -0.03 -0.73 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 1yel s GLN 83 Cb -0.06 -2.51 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 1yel s GLN 83 CO 0.00 0.60 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.60 1yel s PHE 84 N -1.04 2.85 -0.25 0.91 0.40 -0.62 0.05 117.98 120.28 1yel s PHE 84 Ca 0.18 -0.51 -0.15 0.00 -0.60 0.00 0.00 56.93 55.85 1yel s PHE 84 Cb -0.11 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1yel s PHE 84 CO 0.09 -0.12 0.38 0.42 0.70 0.00 0.00 175.22 176.69 1yel s ILE 85 N 0.22 5.18 -0.23 0.64 1.01 0.12 -2.02 121.20 126.12 1yel s ILE 85 Ca -0.07 0.61 -0.07 0.00 0.00 0.00 0.00 60.65 61.12 1yel s ILE 85 Cb -0.15 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1yel s ILE 85 CO 0.05 0.18 0.06 -0.31 0.00 0.00 0.00 174.94 174.92 1yel s TYR 86 N 1.86 3.13 -0.96 3.97 2.02 0.37 -2.50 117.35 125.24 1yel s TYR 86 Ca 0.16 -0.26 0.17 0.00 -0.37 0.00 0.00 57.07 56.77 1yel s TYR 86 Cb -0.15 -2.18 0.60 0.00 -0.40 0.00 0.00 41.96 39.83 1yel s TYR 86 CO 0.09 -0.19 1.52 -3.47 -1.57 0.00 0.00 175.55 171.93 1yel n ASP 87 N 4.45 4.23 -2.84 2.29 2.03 -1.26 -3.76 116.55 121.68 1yel n ASP 87 Ca -0.16 -2.44 -0.02 0.00 0.52 0.00 0.00 54.79 52.69 1yel n ASP 87 Cb 0.52 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1yel n ASP 87 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1yel n ARG 88 N 0.75 -1.44 -2.11 -0.67 3.00 -1.26 -5.04 116.66 109.89 1yel n ARG 88 Ca 0.22 1.55 0.00 0.00 -0.01 0.00 0.00 57.85 59.61 1yel n ARG 88 Cb 0.79 -5.30 0.00 0.00 0.00 0.00 0.00 32.46 27.95 1yel n ARG 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1yel n ASP 89 N -1.32 -0.19 -1.58 0.55 2.03 -1.26 -5.00 116.55 109.79 1yel n ASP 89 Ca 0.03 -1.05 -0.07 0.00 0.52 0.00 0.00 54.79 54.21 1yel n ASP 89 Cb 0.48 0.30 0.23 0.00 -0.72 0.00 0.00 41.12 41.41 1yel n ASP 89 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1yel n ARG 90 N -0.13 2.56 -3.94 -0.67 3.00 -1.26 -4.84 116.66 111.38 1yel n ARG 90 Ca 0.01 -3.07 -0.28 0.00 -0.01 0.00 0.00 57.85 54.49 1yel n ARG 90 Cb 0.09 -2.00 -0.17 0.00 0.00 0.00 0.00 32.46 30.38 1yel n ARG 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1yel s THR 91 N -3.14 1.26 0.16 0.55 2.01 -1.26 -0.57 115.64 114.65 1yel s THR 91 Ca 0.50 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1yel s THR 91 Cb 0.42 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1yel s THR 91 CO 0.07 0.29 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.75 1yel s PHE 92 N 1.59 1.80 -0.08 4.92 0.08 -0.08 -4.24 117.98 121.96 1yel s PHE 92 Ca 0.03 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.63 1yel s PHE 92 Cb -0.14 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1yel s PHE 92 CO -0.09 0.32 -0.16 0.71 -0.10 0.00 0.00 175.22 175.91 1yel s TYR 93 N -2.06 2.71 -0.18 0.36 1.51 -1.04 -1.59 117.35 117.05 1yel s TYR 93 Ca 0.15 -0.45 -0.07 0.00 -1.01 0.00 0.00 57.07 55.70 1yel s TYR 93 Cb -0.06 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1yel s TYR 93 CO 0.06 -0.04 0.05 0.08 -1.11 0.00 0.00 175.55 174.59 1yel s VAL 94 N -0.20 4.65 -0.27 0.71 1.01 -1.24 0.13 120.40 125.20 1yel s VAL 94 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1yel s VAL 94 Cb -0.13 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1yel s VAL 94 CO 0.03 0.46 0.00 -0.63 0.00 0.00 0.00 175.10 174.97 1yel s ILE 95 N 0.40 3.38 -0.05 2.22 -1.09 0.11 -4.94 121.20 121.24 1yel s ILE 95 Ca 0.02 -0.85 0.06 0.00 -2.23 0.00 0.00 60.65 57.65 1yel s ILE 95 Cb -0.13 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.01 1yel s ILE 95 CO 0.01 0.16 -0.22 -0.51 -1.23 0.00 0.00 174.94 173.15 1yel s ILE 96 N 1.41 2.38 -0.14 2.92 2.07 -1.26 0.65 121.20 129.22 1yel s ILE 96 Ca 0.01 -0.97 -0.09 0.00 -1.41 0.00 0.00 60.65 58.19 1yel s ILE 96 Cb -0.17 -1.88 -0.05 0.00 0.13 0.00 0.00 42.46 40.50 1yel s ILE 96 CO -0.01 0.58 0.17 -0.31 -1.91 0.00 0.00 174.94 173.46 1yel s TYR 97 N -0.44 3.53 0.00 3.50 2.02 0.15 -4.19 117.35 121.93 1yel s TYR 97 Ca 0.05 0.51 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 1yel s TYR 97 Cb -0.12 -2.08 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1yel s TYR 97 CO 0.01 0.54 0.00 0.41 -1.57 0.00 0.00 175.55 174.94 1yel n GLY 98 N 2.61 0.64 3.50 0.71 0.00 -1.26 -3.07 105.19 108.32 1yel n GLY 98 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1yel n GLY 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1yel s HIS 99 N -2.00 2.70 0.04 1.61 5.04 -1.26 -4.99 115.29 116.43 1yel s HIS 99 Ca 0.00 -0.18 -0.21 0.00 -1.54 0.00 0.00 55.06 53.12 1yel s HIS 99 Cb 0.00 -4.21 -0.06 0.00 0.04 0.00 0.00 32.58 28.35 1yel s HIS 99 CO 0.00 -1.52 0.62 -0.80 -2.34 0.00 0.00 174.74 170.70 1yel s ASN 100 N 3.20 7.06 0.18 9.88 0.01 -1.26 -4.94 114.94 129.07 1yel s ASN 100 Ca 0.28 1.27 0.08 0.00 -0.71 0.00 0.00 52.86 53.78 1yel s ASN 100 Cb -0.13 -2.39 0.03 0.00 0.41 0.00 0.00 41.25 39.16 1yel s ASN 100 CO 0.16 0.15 1.42 0.00 -1.51 0.00 0.00 177.10 177.32 1yel h MET 101 N 5.19 0.01 0.00 -0.60 -0.00 -2.04 -3.56 114.93 113.94 1yel h MET 101 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 1yel h MET 101 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 1yel h MET 101 CO 0.68 0.85 0.00 0.00 -0.00 0.00 0.00 176.91 178.43