#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 3.35 0.27 3.04 0.00 -1.26 -4.88 121.76 122.29 1yel s ALA 2 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 51.96 49.31 1yel s ALA 2 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1yel s ALA 2 CO 0.00 -2.92 0.00 -3.47 0.00 0.00 0.00 175.76 169.37 1yel n ASP 3 N 6.62 -3.95 0.04 0.00 2.03 -1.26 -4.85 116.55 115.17 1yel n ASP 3 Ca 0.19 0.85 0.06 0.00 0.52 0.00 0.00 54.79 56.41 1yel n ASP 3 Cb 0.48 -1.80 -0.08 0.00 -0.72 0.00 0.00 41.12 39.01 1yel n ASP 3 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1yel n THR 4 N -1.94 0.74 0.00 5.18 -1.04 -1.26 -4.96 114.28 111.00 1yel n THR 4 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1yel n THR 4 Cb 0.21 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 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 1.31 4.21 3.67 3.41 0.00 -1.26 -5.08 105.19 111.45 1yel n GLY 5 Ca -0.07 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.10 -0.01 1.61 1.03 -1.26 -4.62 118.70 116.55 1yel s GLU 6 Ca 0.00 -0.55 0.04 0.00 0.03 0.00 0.00 54.97 54.49 1yel s GLU 6 Cb 0.00 0.41 -0.01 0.00 -0.80 0.00 0.00 34.13 33.73 1yel s GLU 6 CO 0.00 -0.50 -0.14 0.14 -1.33 0.00 0.00 175.26 173.43 1yel s VAL 7 N -3.27 1.11 0.09 1.83 -7.23 0.46 -5.00 120.40 108.40 1yel s VAL 7 Ca 0.10 -0.62 0.09 0.00 -1.81 0.00 0.00 61.98 59.74 1yel s VAL 7 Cb -0.01 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 1yel s VAL 7 CO -0.02 0.30 -0.25 -1.10 -0.31 0.00 0.00 175.10 173.73 1yel s GLN 8 N -0.37 1.42 -0.01 4.82 1.11 -1.26 -0.27 119.66 125.10 1yel s GLN 8 Ca 0.05 -1.20 -0.11 0.00 0.01 0.00 0.00 55.36 54.12 1yel s GLN 8 Cb -0.06 -1.74 0.01 0.00 -1.01 0.00 0.00 33.01 30.22 1yel s GLN 8 CO -0.00 0.42 0.23 -0.59 0.01 0.00 0.00 175.29 175.36 1yel s PHE 9 N -0.99 -0.09 -0.01 0.91 -0.71 -0.55 -4.98 117.98 111.56 1yel s PHE 9 Ca 0.11 0.12 0.02 0.00 -1.04 0.00 0.00 56.93 56.14 1yel s PHE 9 Cb -0.10 0.03 -0.00 0.00 -1.21 0.00 0.00 43.02 41.74 1yel s PHE 9 CO 0.04 -0.32 -0.07 0.00 -1.34 0.00 0.00 175.22 173.54 1yel s MET 10 N -1.21 0.59 -0.06 1.99 0.23 -1.26 0.26 119.30 119.85 1yel s MET 10 Ca -0.13 -0.23 -0.12 0.00 -1.03 0.00 0.00 55.69 54.19 1yel s MET 10 Cb -0.06 -0.58 0.02 0.00 -1.53 0.00 0.00 34.83 32.69 1yel s MET 10 CO 0.03 0.12 0.29 0.15 -2.03 0.00 0.00 175.02 173.57 1yel s LYS 11 N -0.01 0.49 0.02 3.16 1.02 -0.72 -5.00 119.74 118.70 1yel s LYS 11 Ca 0.01 0.10 -0.25 0.00 0.02 0.00 0.00 55.97 55.85 1yel s LYS 11 Cb -0.04 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1yel s LYS 11 CO -0.00 -0.10 0.76 -1.25 -0.92 0.00 0.00 175.35 173.84 1yel s PRO 12 N -0.57 4.48 -0.08 -1.68 0.05 -1.26 -2.92 135.00 133.03 1yel s PRO 12 Ca -0.07 1.05 -0.05 0.00 0.05 0.00 0.00 61.00 61.98 1yel s PRO 12 Cb -0.04 -3.38 -0.04 0.00 0.05 0.00 0.00 34.50 31.09 1yel s PRO 12 CO 0.02 0.23 0.15 -0.59 0.05 0.00 0.00 177.00 176.86 1yel s PHE 13 N 0.14 3.56 -0.36 0.56 -0.71 -1.26 -5.05 117.98 114.87 1yel s PHE 13 Ca 0.39 0.45 -0.22 0.00 -1.04 0.00 0.00 56.93 56.51 1yel s PHE 13 Cb -0.20 -1.89 0.01 0.00 -1.21 0.00 0.00 43.02 39.73 1yel s PHE 13 CO 0.22 0.70 0.74 0.42 -1.34 0.00 0.00 175.22 175.96 1yel s ILE 14 N -1.14 4.78 0.43 -4.49 1.01 -1.26 -4.30 121.20 116.24 1yel s ILE 14 Ca 0.20 0.82 0.17 0.00 0.00 0.00 0.00 60.65 61.83 1yel s ILE 14 Cb -0.12 -4.17 0.37 0.00 0.01 0.00 0.00 42.46 38.55 1yel s ILE 14 CO 0.09 -0.39 1.90 -1.28 0.00 0.00 0.00 174.94 175.27 1yel h SER 15 N 8.45 0.37 -0.96 3.58 0.87 -1.90 0.37 113.55 124.34 1yel h SER 15 Ca -0.25 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1yel h SER 15 Cb 1.10 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.96 1yel h SER 15 CO 0.89 0.18 0.61 -0.08 -0.53 0.00 0.00 176.83 177.89 1yel h GLU 16 N 0.39 1.29 0.00 2.24 4.81 -2.01 -0.67 114.58 120.64 1yel h GLU 16 Ca 0.39 -0.10 -0.19 0.00 -0.13 0.00 0.00 59.36 59.33 1yel h GLU 16 Cb 0.95 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1yel h GLU 16 CO -0.13 0.88 -1.97 0.36 -0.73 0.00 0.00 179.01 177.43 1yel n LYS 17 N -4.37 1.18 -0.39 1.92 2.85 -0.42 -4.34 118.16 114.59 1yel n LYS 17 Ca 0.11 -0.05 0.06 0.00 -1.05 0.00 0.00 58.31 57.38 1yel n LYS 17 Cb 0.04 -1.40 0.23 0.00 -0.65 0.00 0.00 35.03 33.25 1yel n LYS 17 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1yel n SER 18 N -2.42 3.18 0.16 -5.58 7.64 0.12 -3.23 113.62 113.49 1yel n SER 18 Ca -0.18 -2.26 0.13 0.00 1.01 0.00 0.00 58.87 57.57 1yel n SER 18 Cb 0.83 -0.45 0.46 0.00 -1.01 0.00 0.00 64.21 64.04 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 2.65 0.00 0.00 6.43 0.02 -1.31 -3.38 113.55 117.96 1yel h SER 19 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1yel h SER 19 Cb 0.99 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1yel h SER 19 CO 0.14 0.00 -1.42 2.29 -1.14 0.00 0.00 176.83 176.70 1yel n LYS 20 N -2.52 0.17 -4.12 3.45 2.85 -1.20 -4.35 118.16 112.44 1yel n LYS 20 Ca 0.03 0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.25 1yel n LYS 20 Cb 0.34 -0.86 -0.09 0.00 -0.65 0.00 0.00 35.03 33.78 1yel n LYS 20 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1yel s SER 21 N -5.46 0.11 0.01 -5.58 0.01 -1.21 -3.57 113.70 98.02 1yel s SER 21 Ca -0.10 -1.20 0.06 0.00 1.31 0.00 0.00 55.95 56.01 1yel s SER 21 Cb 0.04 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 1yel s SER 21 CO 0.14 -0.89 -0.18 -0.22 0.41 0.00 0.00 173.24 172.50 1yel s LEU 22 N -3.09 2.09 -0.23 2.44 2.96 0.18 -3.79 118.68 119.23 1yel s LEU 22 Ca 0.31 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1yel s LEU 22 Cb 0.05 -0.90 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 1yel s LEU 22 CO 0.08 0.18 0.23 -1.61 -1.32 0.00 0.00 176.35 173.91 1yel s GLU 23 N -0.73 4.09 -0.14 1.98 2.02 -1.26 -1.08 118.70 123.58 1yel s GLU 23 Ca 0.06 -0.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.80 1yel s GLU 23 Cb -0.08 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.56 1yel s GLU 23 CO 0.00 0.01 0.25 0.42 0.02 0.00 0.00 175.26 175.96 1yel s ILE 24 N 1.19 5.33 0.25 -1.63 1.09 -0.19 -5.00 121.20 122.24 1yel s ILE 24 Ca 0.11 0.45 -0.29 0.00 -1.10 0.00 0.00 60.65 59.83 1yel s ILE 24 Cb -0.14 -3.57 -0.15 0.00 -1.06 0.00 0.00 42.46 37.54 1yel s ILE 24 CO 0.06 0.47 0.92 -2.65 -0.10 0.00 0.00 174.94 173.64 1yel n PRO 25 N 3.01 1.02 -0.27 2.79 -0.02 -1.26 -3.62 135.00 136.65 1yel n PRO 25 Ca -0.15 0.36 -0.06 0.00 -2.02 0.00 0.00 63.50 61.64 1yel n PRO 25 Cb 0.53 -1.66 0.06 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.93 1.00 -1.23 2.45 6.46 -1.94 -0.35 115.31 123.62 1yel h LEU 26 Ca -0.37 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.21 1yel h LEU 26 Cb 1.36 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 41.01 1yel h LEU 26 CO 0.61 0.87 0.23 1.23 -0.62 0.00 0.00 178.44 180.76 1yel h GLY 27 N 1.06 0.82 1.66 3.75 0.00 -1.91 0.32 103.07 108.77 1yel h GLY 27 Ca 0.25 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1yel h GLY 27 CO -0.03 0.37 -0.74 -2.75 0.00 0.00 0.00 176.54 173.40 1yel h PHE 28 N 0.76 0.46 -0.28 5.60 3.57 -1.78 -1.77 116.94 123.50 1yel h PHE 28 Ca 0.19 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1yel h PHE 28 Cb 0.12 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1yel h PHE 28 CO 0.01 0.96 0.10 -0.97 -2.23 0.00 0.00 178.31 176.18 1yel h ASN 29 N 0.22 0.39 0.71 0.41 -1.24 -0.24 -2.30 115.58 113.54 1yel h ASN 29 Ca -0.03 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.80 1yel h ASN 29 Cb 1.31 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1yel h ASN 29 CO 0.12 0.47 0.00 1.21 -1.29 0.00 0.00 177.43 177.94 1yel n GLU 30 N -4.74 0.05 0.14 6.67 2.13 0.02 -2.63 120.64 122.28 1yel n GLU 30 Ca -0.02 0.22 0.01 0.00 0.66 0.00 0.00 57.16 58.03 1yel n GLU 30 Cb 0.14 -1.58 0.16 0.00 0.27 0.00 0.00 31.44 30.44 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 -2.86 4.31 3.20 -0.71 -3.44 116.97 117.47 1yel h TYR 31 Ca 0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 1yel h TYR 31 Cb 0.36 0.00 -0.32 0.00 1.54 0.00 0.00 36.73 38.31 1yel h TYR 31 CO 0.00 0.57 -0.52 -0.59 -1.64 0.00 0.00 178.16 175.98 1yel s PHE 32 N -3.36 -0.43 0.14 -3.82 -0.71 -1.08 -5.10 117.98 103.63 1yel s PHE 32 Ca 0.00 0.98 -0.30 0.00 -1.04 0.00 0.00 56.93 56.57 1yel s PHE 32 Cb 0.11 -0.01 -0.07 0.00 -1.21 0.00 0.00 43.02 41.84 1yel s PHE 32 CO 0.74 -0.35 1.07 -2.14 -1.34 0.00 0.00 175.22 173.20 1yel s PRO 33 N 2.31 4.60 -0.18 1.99 0.02 -1.26 -4.88 135.00 137.60 1yel s PRO 33 Ca -0.00 1.64 -0.15 0.00 0.02 0.00 0.00 61.00 62.51 1yel s PRO 33 Cb -0.12 -3.32 0.05 0.00 0.02 0.00 0.00 34.50 31.13 1yel s PRO 33 CO -0.09 0.07 0.47 0.00 -0.33 0.00 0.00 177.00 177.12 1yel s ALA 34 N 0.01 -1.17 0.47 -1.55 0.00 -1.26 -5.13 121.76 113.13 1yel s ALA 34 Ca 0.50 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.60 1yel s ALA 34 Cb -0.27 -0.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.96 1yel s ALA 34 CO 0.33 -0.23 1.38 -2.14 0.00 0.00 0.00 175.76 175.10 1yel s PRO 35 N 0.43 3.59 -0.04 0.00 0.02 -1.26 -4.90 135.00 132.84 1yel s PRO 35 Ca -0.01 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 1yel s PRO 35 Cb -0.04 -2.56 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 1yel s PRO 35 CO -0.02 -0.86 1.53 -0.59 -0.33 0.00 0.00 177.00 176.74 1yel s PHE 36 N -1.25 2.37 0.59 6.54 -0.71 -1.26 -4.97 117.98 119.29 1yel s PHE 36 Ca 0.63 0.48 -0.17 0.00 -1.04 0.00 0.00 56.93 56.83 1yel s PHE 36 Cb -0.41 -3.80 -0.04 0.00 -1.21 0.00 0.00 43.02 37.56 1yel s PHE 36 CO 0.52 -3.20 1.10 -2.14 -1.34 0.00 0.00 175.22 170.16 1yel s PRO 37 N 3.37 3.20 -0.13 1.99 0.02 -1.25 -4.99 135.00 137.22 1yel s PRO 37 Ca 0.68 1.44 -0.07 0.00 0.02 0.00 0.00 61.00 63.07 1yel s PRO 37 Cb -0.32 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.17 1yel s PRO 37 CO 0.27 -0.94 -0.10 0.82 -0.33 0.00 0.00 177.00 176.73 1yel h ILE 38 N 0.70 0.05 -3.80 2.83 1.08 -1.94 -3.41 117.51 113.03 1yel h ILE 38 Ca -0.48 -1.05 -0.56 0.00 -0.39 0.00 0.00 64.86 62.37 1yel h ILE 38 Cb 1.24 0.11 -0.21 0.00 -3.07 0.00 0.00 36.82 34.90 1yel h ILE 38 CO 0.56 0.02 -0.82 0.42 -0.69 0.00 0.00 178.15 177.64 1yel s THR 39 N -2.02 1.77 0.10 -0.27 -4.23 -1.26 -3.91 115.64 105.81 1yel s THR 39 Ca -0.11 -1.63 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1yel s THR 39 Cb 0.01 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 1yel s THR 39 CO 0.17 -0.10 -0.01 0.68 -0.54 0.00 0.00 174.62 174.82 1yel s VAL 40 N -1.32 0.34 -0.01 2.29 -7.23 0.98 -4.91 120.40 110.53 1yel s VAL 40 Ca 0.09 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 1yel s VAL 40 Cb -0.09 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 1yel s VAL 40 CO 0.05 -0.74 -0.20 -0.62 -0.31 0.00 0.00 175.10 173.29 1yel s ASP 41 N -3.02 2.31 -0.18 4.85 2.15 0.41 0.07 116.67 123.26 1yel s ASP 41 Ca 0.16 -0.36 -0.05 0.00 0.43 0.00 0.00 52.55 52.73 1yel s ASP 41 Cb 0.07 -0.26 -0.03 0.00 -0.30 0.00 0.00 42.92 42.41 1yel s ASP 41 CO -0.03 0.24 -0.00 -0.76 -0.17 0.00 0.00 175.17 174.44 1yel s LEU 42 N -0.47 3.36 0.02 -1.34 1.43 0.15 -0.77 118.68 121.06 1yel s LEU 42 Ca 0.08 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1yel s LEU 42 Cb -0.08 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1yel s LEU 42 CO -0.01 0.12 0.17 -0.76 0.23 0.00 0.00 176.35 176.10 1yel s LEU 43 N 0.65 4.25 -0.08 1.79 2.01 0.55 -0.45 118.68 127.40 1yel s LEU 43 Ca -0.00 0.26 0.01 0.00 0.01 0.00 0.00 54.13 54.40 1yel s LEU 43 Cb -0.14 -2.67 -0.03 0.00 0.01 0.00 0.00 46.19 43.36 1yel s LEU 43 CO 0.02 0.22 -0.10 -0.62 1.01 0.00 0.00 176.35 176.88 1yel s ASP 44 N -2.15 4.35 0.00 2.29 2.15 0.54 -2.91 116.67 120.95 1yel s ASP 44 Ca 0.29 -0.14 0.15 0.00 0.43 0.00 0.00 52.55 53.28 1yel s ASP 44 Cb -0.13 -1.21 0.68 0.00 -0.30 0.00 0.00 42.92 41.96 1yel s ASP 44 CO 0.22 0.30 1.47 0.00 -0.17 0.00 0.00 175.17 176.99 1yel n TYR 45 N 2.62 0.00 -0.04 -5.34 0.18 -1.26 -2.39 117.16 110.94 1yel n TYR 45 Ca -0.18 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.39 1yel n TYR 45 Cb 0.53 -0.44 -0.13 0.00 -0.38 0.00 0.00 39.34 38.91 1yel n TYR 45 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1yel n SER 46 N -1.44 2.06 0.00 9.48 2.88 -1.26 -4.99 113.62 120.35 1yel n SER 46 Ca 0.05 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1yel n SER 46 Cb 0.16 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 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 1.93 -0.16 3.91 0.46 0.00 -1.00 -5.16 105.19 105.17 1yel n GLY 47 Ca -0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 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 3.57 -0.05 1.61 1.81 -1.25 -4.89 118.95 119.74 1yel s ARG 48 Ca 0.00 0.12 -0.14 0.00 -1.72 0.00 0.00 55.73 53.99 1yel s ARG 48 Cb 0.00 -2.45 0.03 0.00 -0.45 0.00 0.00 34.95 32.07 1yel s ARG 48 CO 0.00 -0.09 0.32 -1.54 -0.68 0.00 0.00 175.30 173.31 1yel s SER 49 N -3.91 -0.25 -0.09 0.23 1.04 -1.26 -0.34 113.70 109.13 1yel s SER 49 Ca 0.46 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1yel s SER 49 Cb -0.10 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1yel s SER 49 CO 0.40 -0.33 -0.08 0.26 0.98 0.00 0.00 173.24 174.47 1yel s TRP 50 N -0.81 1.37 -0.31 5.02 0.51 0.40 -4.94 118.94 120.18 1yel s TRP 50 Ca -0.09 -0.60 -0.21 0.00 -2.12 0.00 0.00 56.10 53.08 1yel s TRP 50 Cb -0.04 -1.11 -0.01 0.00 -0.81 0.00 0.00 33.47 31.50 1yel s TRP 50 CO 0.03 -0.41 0.66 0.99 -0.51 0.00 0.00 176.95 177.71 1yel s THR 51 N 1.35 4.90 0.19 2.01 2.01 -1.26 0.33 115.64 125.17 1yel s THR 51 Ca -0.02 0.88 0.09 0.00 0.31 0.00 0.00 61.69 62.95 1yel s THR 51 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1yel s THR 51 CO -0.04 -0.18 -0.17 0.68 -0.69 0.00 0.00 174.62 174.21 1yel s VAL 52 N 2.69 1.87 -0.24 3.82 -7.23 0.11 -4.67 120.40 116.74 1yel s VAL 52 Ca 0.26 -2.06 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1yel s VAL 52 Cb -0.15 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1yel s VAL 52 CO 0.12 -0.41 0.12 -0.13 -0.31 0.00 0.00 175.10 174.49 1yel s ARG 53 N -3.14 3.89 -0.07 4.82 0.52 0.17 -0.01 118.95 125.13 1yel s ARG 53 Ca 0.19 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 1yel s ARG 53 Cb -0.04 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.99 1yel s ARG 53 CO 0.08 -0.05 -0.18 1.41 0.02 0.00 0.00 175.30 176.58 1yel s MET 54 N 1.31 2.22 0.10 3.54 1.75 -1.25 -0.81 119.30 126.16 1yel s MET 54 Ca 0.06 -0.63 -0.06 0.00 -1.25 0.00 0.00 55.69 53.81 1yel s MET 54 Cb -0.15 -1.78 -0.02 0.00 2.84 0.00 0.00 34.83 35.73 1yel s MET 54 CO 0.05 0.13 0.14 -1.59 -0.65 0.00 0.00 175.02 173.11 1yel s LYS 55 N 0.40 0.87 -0.12 4.11 0.00 -0.26 -3.84 119.74 120.90 1yel s LYS 55 Ca -0.14 -1.13 -0.19 0.00 0.00 0.00 0.00 55.97 54.52 1yel s LYS 55 Cb -0.16 0.31 -0.04 0.00 0.00 0.00 0.00 37.83 37.94 1yel s LYS 55 CO 0.05 -0.26 0.50 0.15 0.00 0.00 0.00 175.35 175.79 1yel s LYS 56 N -3.92 4.35 -0.28 1.78 1.02 -1.26 -0.16 119.74 121.27 1yel s LYS 56 Ca 0.11 0.49 -0.01 0.00 0.02 0.00 0.00 55.97 56.58 1yel s LYS 56 Cb 0.06 -3.44 0.09 0.00 -0.52 0.00 0.00 37.83 34.01 1yel s LYS 56 CO -0.07 0.14 0.07 -0.98 -0.92 0.00 0.00 175.35 173.59 1yel s ARG 57 N 0.67 0.77 4.25 1.68 1.70 0.87 -4.94 118.95 123.95 1yel s ARG 57 Ca 0.27 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 1yel s ARG 57 Cb -0.15 -2.06 0.00 0.00 -0.57 0.00 0.00 34.95 32.17 1yel s ARG 57 CO 0.11 -0.88 0.00 0.41 -1.08 0.00 0.00 175.30 173.86 1yel n GLY 58 N 4.88 1.10 0.06 3.88 0.00 -1.26 -1.93 105.19 111.93 1yel n GLY 58 Ca -0.04 0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.39 1yel n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yel n GLU 59 N 0.00 0.64 -4.33 1.61 1.02 -1.26 -4.99 120.64 113.32 1yel n GLU 59 Ca 0.00 -0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.94 1yel n GLU 59 Cb 0.00 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 29.65 1yel n GLU 59 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1yel s LYS 60 N -3.38 1.37 -0.10 3.49 1.02 -0.81 -4.55 119.74 116.77 1yel s LYS 60 Ca -0.05 -1.70 -0.11 0.00 0.02 0.00 0.00 55.97 54.13 1yel s LYS 60 Cb 0.12 -0.57 -0.05 0.00 -0.52 0.00 0.00 37.83 36.81 1yel s LYS 60 CO 0.85 -0.14 0.24 0.08 -0.92 0.00 0.00 175.35 175.46 1yel s VAL 61 N -3.47 5.33 -0.03 3.17 1.01 -1.24 -0.09 120.40 125.08 1yel s VAL 61 Ca 0.30 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1yel s VAL 61 Cb 0.06 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1yel s VAL 61 CO 0.10 0.54 -0.04 0.12 0.00 0.00 0.00 175.10 175.82 1yel s PHE 62 N -0.59 0.62 -0.32 5.22 5.36 0.78 -1.02 117.98 128.03 1yel s PHE 62 Ca 0.17 -0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 55.87 1yel s PHE 62 Cb -0.13 -0.53 -0.03 0.00 -0.34 0.00 0.00 43.02 41.99 1yel s PHE 62 CO 0.06 -0.12 0.26 -1.17 -1.46 0.00 0.00 175.22 172.79 1yel s LEU 63 N 0.60 4.35 0.00 6.12 0.20 -0.24 -1.11 118.68 128.60 1yel s LEU 63 Ca -0.07 -0.23 0.00 0.00 0.69 0.00 0.00 54.13 54.52 1yel s LEU 63 Cb -0.11 -2.19 0.00 0.00 -0.43 0.00 0.00 46.19 43.46 1yel s LEU 63 CO -0.00 -0.20 0.00 0.35 -0.29 0.00 0.00 176.35 176.20 1yel n THR 64 N 5.12 0.00 -3.10 3.68 -2.24 0.01 -0.65 114.28 117.10 1yel n THR 64 Ca -0.12 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 1yel n THR 64 Cb 0.50 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1yel n THR 64 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1yel s VAL 65 N 0.11 4.58 0.00 2.28 -7.23 -1.26 -3.92 120.40 114.95 1yel s VAL 65 Ca 0.00 1.25 0.00 0.00 -1.81 0.00 0.00 61.98 61.42 1yel s VAL 65 Cb 0.00 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1yel s VAL 65 CO 0.00 0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1yel n GLY 66 N 0.60 2.62 0.31 2.32 0.00 -1.26 -0.65 105.19 109.13 1yel n GLY 66 Ca -0.02 -0.64 0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 1.61 2.91 -1.75 0.13 115.95 118.86 1yel h TRP 67 Ca 0.00 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 1yel h TRP 67 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1yel h TRP 67 CO 0.00 0.00 -0.39 1.05 -1.03 0.00 0.00 178.44 178.07 1yel h GLU 68 N 0.00 0.00 -0.20 2.65 4.11 -1.75 0.21 114.58 119.60 1yel h GLU 68 Ca 0.04 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.28 1yel h GLU 68 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1yel h GLU 68 CO -0.00 0.39 -0.62 -0.91 0.07 0.00 0.00 179.01 177.94 1yel h ASN 69 N 0.00 0.78 0.05 3.06 4.21 -1.30 -2.40 115.58 119.97 1yel h ASN 69 Ca -0.00 -0.45 -0.00 0.00 1.21 0.00 0.00 56.30 57.06 1yel h ASN 69 Cb 0.92 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 1yel h ASN 69 CO 0.05 1.21 -0.02 0.15 -1.29 0.00 0.00 177.43 177.53 1yel h PHE 70 N 0.51 -0.06 -0.45 1.19 3.57 -1.29 0.68 116.94 121.08 1yel h PHE 70 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1yel h PHE 70 Cb 1.21 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1yel h PHE 70 CO 0.06 0.53 0.21 -0.24 -2.23 0.00 0.00 178.31 176.63 1yel h VAL 71 N -0.71 1.19 -0.10 1.41 3.04 -0.66 -1.48 116.25 118.95 1yel h VAL 71 Ca -0.01 -0.56 -0.14 0.00 -1.01 0.00 0.00 66.70 64.98 1yel h VAL 71 Cb 0.61 0.72 0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1yel h VAL 71 CO 0.01 0.21 -0.49 0.11 -1.01 0.00 0.00 177.57 176.40 1yel h LYS 72 N 0.59 0.51 -0.43 4.17 1.79 -1.52 -0.47 116.57 121.21 1yel h LYS 72 Ca 0.15 -0.41 -0.15 0.00 -2.18 0.00 0.00 60.65 58.06 1yel h LYS 72 Cb 0.14 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1yel h LYS 72 CO -0.02 1.04 -0.31 0.22 -1.08 0.00 0.00 179.45 179.30 1yel h ASP 73 N 0.09 1.02 1.08 0.86 3.58 -0.67 -2.30 116.42 120.08 1yel h ASP 73 Ca -0.03 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1yel h ASP 73 Cb 1.14 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1yel h ASP 73 CO 0.10 1.24 -0.37 -3.20 -2.88 0.00 0.00 179.24 174.13 1yel n ASN 74 N -4.08 0.72 -2.76 2.28 5.15 -0.57 -5.00 115.26 110.99 1yel n ASN 74 Ca -0.01 0.29 -0.06 0.00 -0.60 0.00 0.00 54.58 54.20 1yel n ASN 74 Cb 0.51 -0.21 0.01 0.00 -0.53 0.00 0.00 39.78 39.56 1yel n ASN 74 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1yel n ASN 75 N -2.13 -7.77 -4.57 1.20 5.15 -0.58 -4.92 115.26 101.64 1yel n ASN 75 Ca 0.04 0.76 -0.24 0.00 -0.60 0.00 0.00 54.58 54.54 1yel n ASN 75 Cb 0.43 -5.23 -0.09 0.00 -0.53 0.00 0.00 39.78 34.37 1yel n ASN 75 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1yel s LEU 76 N -2.28 2.95 0.14 1.20 2.01 -0.29 -5.02 118.68 117.39 1yel s LEU 76 Ca 0.17 -0.77 -0.05 0.00 0.01 0.00 0.00 54.13 53.50 1yel s LEU 76 Cb -0.05 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.63 1yel s LEU 76 CO 0.75 0.03 0.17 -0.70 1.01 0.00 0.00 176.35 177.61 1yel s GLU 77 N -3.48 1.03 -0.12 1.70 2.12 -1.26 -4.87 118.70 113.83 1yel s GLU 77 Ca 0.30 -1.29 -0.36 0.00 0.36 0.00 0.00 54.97 53.98 1yel s GLU 77 Cb -0.06 0.31 -0.13 0.00 0.26 0.00 0.00 34.13 34.51 1yel s GLU 77 CO 0.17 -0.34 1.82 -3.47 -0.54 0.00 0.00 175.26 172.90 1yel n ASP 78 N -0.15 3.12 0.00 -1.70 -0.08 -1.26 -1.88 116.55 114.60 1yel n ASP 78 Ca -0.07 1.01 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 1yel n ASP 78 Cb 0.63 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.78 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 4.25 0.99 3.85 0.27 0.00 -1.26 -4.98 105.19 108.32 1yel n GLY 79 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.93 -0.05 1.61 3.01 -0.79 -5.07 119.74 122.38 1yel s LYS 80 Ca 0.00 0.89 0.05 0.00 -1.01 0.00 0.00 55.97 55.90 1yel s LYS 80 Cb 0.00 -2.17 -0.01 0.00 -1.01 0.00 0.00 37.83 34.64 1yel s LYS 80 CO 0.00 -0.24 -0.22 0.71 0.51 0.00 0.00 175.35 176.11 1yel s TYR 81 N -2.59 2.19 -0.08 3.18 2.02 -1.25 -4.24 117.35 116.58 1yel s TYR 81 Ca 0.58 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1yel s TYR 81 Cb -0.10 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 1yel s TYR 81 CO 0.31 -0.21 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.38 1yel s LEU 82 N -0.08 1.93 -0.18 -1.29 1.02 -1.15 -0.12 118.68 118.81 1yel s LEU 82 Ca -0.04 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 1yel s LEU 82 Cb -0.13 -1.19 -0.01 0.00 0.02 0.00 0.00 46.19 44.88 1yel s LEU 82 CO 0.03 0.12 -0.08 -1.58 0.02 0.00 0.00 176.35 174.87 1yel s GLN 83 N 0.39 3.39 -0.26 1.70 -0.44 0.59 -1.76 119.66 123.26 1yel s GLN 83 Ca -0.15 -0.65 -0.06 0.00 -2.50 0.00 0.00 55.36 52.00 1yel s GLN 83 Cb -0.17 -2.85 -0.01 0.00 -1.64 0.00 0.00 33.01 28.34 1yel s GLN 83 CO 0.06 -0.03 0.03 -0.06 0.50 0.00 0.00 175.29 175.80 1yel s PHE 84 N 1.00 3.07 -0.30 1.67 0.08 0.14 0.08 117.98 123.72 1yel s PHE 84 Ca -0.00 -0.81 -0.13 0.00 0.12 0.00 0.00 56.93 56.10 1yel s PHE 84 Cb -0.15 -2.20 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1yel s PHE 84 CO -0.01 -0.50 0.28 0.42 -0.10 0.00 0.00 175.22 175.31 1yel s ILE 85 N 1.52 5.24 -0.22 0.64 1.01 0.51 -1.48 121.20 128.42 1yel s ILE 85 Ca 0.05 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 1yel s ILE 85 Cb -0.16 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1yel s ILE 85 CO 0.01 0.11 0.05 -0.47 0.00 0.00 0.00 174.94 174.64 1yel s TYR 86 N 1.89 3.10 0.00 3.97 5.04 0.63 -0.51 117.35 131.48 1yel s TYR 86 Ca 0.10 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 1yel s TYR 86 Cb -0.16 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1yel s TYR 86 CO 0.11 -0.22 0.00 -3.47 -1.34 0.00 0.00 175.55 170.63 1yel n ASP 87 N 4.43 0.00 -0.29 4.32 -0.08 -1.26 -0.40 116.55 123.27 1yel n ASP 87 Ca -0.17 0.06 -0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1yel n ASP 87 Cb 0.52 -0.06 -0.00 0.00 2.34 0.00 0.00 41.12 43.91 1yel n ASP 87 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1yel n ARG 88 N -0.77 0.00 -2.81 -0.67 3.00 -1.26 -4.15 116.66 110.00 1yel n ARG 88 Ca 0.00 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.85 57.68 1yel n ARG 88 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 32.46 32.65 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 0.00 2.40 -1.90 6.15 2.03 -1.26 -5.01 116.55 118.97 1yel n ASP 89 Ca -0.02 -1.69 -0.17 0.00 0.52 0.00 0.00 54.79 53.43 1yel n ASP 89 Cb 0.18 0.11 0.14 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.42 2.05 -4.89 -0.67 3.00 -1.26 -4.84 116.66 109.64 1yel n ARG 90 Ca -0.06 -2.26 -0.26 0.00 -0.01 0.00 0.00 57.85 55.25 1yel n ARG 90 Cb 0.20 -1.89 -0.16 0.00 0.00 0.00 0.00 32.46 30.61 1yel n ARG 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1yel s THR 91 N -2.46 1.50 -0.07 0.55 -4.23 -1.26 -0.44 115.64 109.22 1yel s THR 91 Ca 0.43 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 60.21 1yel s THR 91 Cb 0.36 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 1yel s THR 91 CO 0.08 0.43 -0.21 -0.36 -0.54 0.00 0.00 174.62 174.02 1yel s PHE 92 N -0.12 2.54 -0.36 3.99 0.40 0.05 -4.11 117.98 120.37 1yel s PHE 92 Ca -0.01 -0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 55.57 1yel s PHE 92 Cb -0.10 -1.64 -0.00 0.00 0.51 0.00 0.00 43.02 41.78 1yel s PHE 92 CO 0.01 -0.15 0.25 0.71 0.70 0.00 0.00 175.22 176.74 1yel s TYR 93 N -0.18 3.23 -0.23 0.36 2.02 0.33 -0.33 117.35 122.55 1yel s TYR 93 Ca -0.02 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.19 1yel s TYR 93 Cb -0.14 -2.50 -0.05 0.00 -0.40 0.00 0.00 41.96 38.88 1yel s TYR 93 CO 0.04 -0.44 0.22 0.08 -1.57 0.00 0.00 175.55 173.87 1yel s VAL 94 N 1.70 5.32 -0.29 0.71 1.01 -1.15 -0.36 120.40 127.34 1yel s VAL 94 Ca 0.05 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1yel s VAL 94 Cb -0.18 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1yel s VAL 94 CO 0.10 0.32 0.11 -0.63 0.00 0.00 0.00 175.10 175.00 1yel s ILE 95 N 1.16 4.37 -0.19 2.22 -1.09 0.11 -4.73 121.20 123.06 1yel s ILE 95 Ca 0.10 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.01 1yel s ILE 95 Cb -0.14 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1yel s ILE 95 CO 0.06 0.13 0.09 -0.63 -1.23 0.00 0.00 174.94 173.36 1yel s ILE 96 N 1.59 5.05 -0.40 2.92 1.09 -1.26 -0.30 121.20 129.88 1yel s ILE 96 Ca 0.04 0.06 -0.25 0.00 -1.10 0.00 0.00 60.65 59.41 1yel s ILE 96 Cb -0.17 -3.29 0.02 0.00 -1.06 0.00 0.00 42.46 37.97 1yel s ILE 96 CO 0.05 0.46 0.89 -0.31 -0.10 0.00 0.00 174.94 175.92 1yel s TYR 97 N 0.32 3.03 0.00 3.97 2.02 0.83 -4.17 117.35 123.35 1yel s TYR 97 Ca 0.05 0.56 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1yel s TYR 97 Cb -0.12 -3.70 0.00 0.00 -0.40 0.00 0.00 41.96 37.74 1yel s TYR 97 CO -0.01 -0.90 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 1yel n GLY 98 N 4.63 0.52 1.29 0.71 0.00 -1.26 -3.91 105.19 107.18 1yel n GLY 98 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yel n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yel n HIS 99 N 0.00 -3.06 -3.20 1.61 -0.00 -1.26 -4.95 115.22 104.36 1yel n HIS 99 Ca 0.00 1.70 -0.39 0.00 -0.00 0.00 0.00 57.72 59.03 1yel n HIS 99 Cb 0.00 -2.95 -0.05 0.00 -0.00 0.00 0.00 29.99 26.98 1yel n HIS 99 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1yel s ASN 100 N -1.09 6.80 -0.42 0.26 3.84 -1.26 -5.01 114.94 118.05 1yel s ASN 100 Ca 0.00 0.96 -0.29 0.00 0.21 0.00 0.00 52.86 53.74 1yel s ASN 100 Cb 0.00 -2.34 0.02 0.00 -0.55 0.00 0.00 41.25 38.38 1yel s ASN 100 CO 0.00 -0.06 1.14 -0.32 -2.79 0.00 0.00 177.10 175.07 1yel s MET 101 N 0.75 3.82 0.00 0.43 -2.45 -1.26 -5.19 119.30 115.40 1yel s MET 101 Ca 0.31 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.50 1yel s MET 101 Cb -0.16 -3.87 0.00 0.00 1.25 0.00 0.00 34.83 32.05 1yel s MET 101 CO 0.13 -1.25 0.00 0.00 1.05 0.00 0.00 175.02 174.95