#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 -1.93 0.28 -5.12 0.00 -1.26 -5.14 121.76 108.59 1yel s ALA 2 Ca 0.00 1.67 -0.29 0.00 0.00 0.00 0.00 51.96 53.34 1yel s ALA 2 Cb 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 23.12 22.12 1yel s ALA 2 CO 0.00 -0.29 1.32 0.34 0.00 0.00 0.00 175.76 177.13 1yel s ASP 3 N -0.62 6.82 0.04 0.00 2.15 -1.26 -4.95 116.67 118.86 1yel s ASP 3 Ca -0.01 2.57 -0.28 0.00 0.43 0.00 0.00 52.55 55.27 1yel s ASP 3 Cb -0.02 -2.63 -0.15 0.00 -0.30 0.00 0.00 42.92 39.81 1yel s ASP 3 CO -0.00 -0.53 1.34 0.74 -0.17 0.00 0.00 175.17 176.54 1yel h THR 4 N 3.33 0.00 0.00 1.71 2.02 -2.02 -3.49 112.91 114.45 1yel h THR 4 Ca -0.47 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1yel h THR 4 Cb 1.22 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1yel h THR 4 CO 0.71 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.21 1yel n GLY 5 N -1.27 -2.28 3.15 2.16 0.00 -1.26 -4.86 105.19 100.83 1yel n GLY 5 Ca -0.12 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.25 0.01 0.06 1.61 2.12 -1.26 -4.91 118.70 116.08 1yel s GLU 6 Ca 0.00 0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.43 1yel s GLU 6 Cb 0.00 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 1yel s GLU 6 CO 0.00 -0.01 -0.22 0.14 -0.54 0.00 0.00 175.26 174.63 1yel s VAL 7 N 2.58 1.79 0.01 3.70 -7.23 -0.38 -4.98 120.40 115.89 1yel s VAL 7 Ca -0.06 -1.31 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1yel s VAL 7 Cb -0.05 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1yel s VAL 7 CO -0.10 0.19 0.19 -1.10 -0.31 0.00 0.00 175.10 173.97 1yel s GLN 8 N -1.34 3.45 0.01 4.82 1.11 -1.26 -0.07 119.66 126.37 1yel s GLN 8 Ca 0.08 -0.33 -0.05 0.00 0.01 0.00 0.00 55.36 55.07 1yel s GLN 8 Cb -0.09 -3.08 -0.01 0.00 -1.01 0.00 0.00 33.01 28.82 1yel s GLN 8 CO 0.02 0.66 0.08 0.12 0.01 0.00 0.00 175.29 176.18 1yel s PHE 9 N -1.37 0.10 0.03 0.91 5.36 1.00 -4.96 117.98 119.05 1yel s PHE 9 Ca 0.29 -0.24 0.04 0.00 -0.96 0.00 0.00 56.93 56.06 1yel s PHE 9 Cb -0.13 -0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.45 1yel s PHE 9 CO 0.21 -0.24 -0.12 1.41 -1.46 0.00 0.00 175.22 175.02 1yel s MET 10 N -1.30 0.82 -0.06 10.12 -2.45 -1.26 0.28 119.30 125.45 1yel s MET 10 Ca -0.14 -0.64 -0.09 0.00 -1.25 0.00 0.00 55.69 53.57 1yel s MET 10 Cb -0.08 -0.79 0.02 0.00 1.25 0.00 0.00 34.83 35.23 1yel s MET 10 CO 0.01 0.20 0.23 0.21 1.05 0.00 0.00 175.02 176.72 1yel s LYS 11 N -0.95 0.39 0.50 4.11 2.20 -1.22 -5.02 119.74 119.75 1yel s LYS 11 Ca 0.00 0.10 -0.22 0.00 -0.36 0.00 0.00 55.97 55.49 1yel s LYS 11 Cb -0.07 0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 36.35 1yel s LYS 11 CO 0.01 -0.08 0.96 -2.30 -0.36 0.00 0.00 175.35 173.58 1yel n PRO 12 N 2.35 1.14 -4.24 4.03 -0.02 -1.26 -4.16 135.00 132.83 1yel n PRO 12 Ca -0.16 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.42 1yel n PRO 12 Cb 0.57 -2.07 -0.16 0.00 -0.02 0.00 0.00 33.50 31.82 1yel n PRO 12 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1yel s PHE 13 N -1.40 2.46 -0.16 6.00 5.36 -1.26 -4.95 117.98 124.03 1yel s PHE 13 Ca 0.68 -1.36 -0.00 0.00 -0.96 0.00 0.00 56.93 55.28 1yel s PHE 13 Cb -0.49 -1.73 0.04 0.00 -0.34 0.00 0.00 43.02 40.49 1yel s PHE 13 CO 0.53 -0.69 -0.07 0.42 -1.46 0.00 0.00 175.22 173.96 1yel s ILE 14 N 1.22 1.19 0.20 3.12 1.01 -1.26 -4.36 121.20 122.31 1yel s ILE 14 Ca 0.01 -0.63 0.33 0.00 0.00 0.00 0.00 60.65 60.36 1yel s ILE 14 Cb -0.14 -1.32 0.34 0.00 0.01 0.00 0.00 42.46 41.35 1yel s ILE 14 CO -0.09 0.18 2.01 -1.28 0.00 0.00 0.00 174.94 175.76 1yel h SER 15 N 8.10 0.00 -0.54 3.58 0.87 -1.92 -0.73 113.55 122.92 1yel h SER 15 Ca -0.26 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 1yel h SER 15 Cb 1.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1yel h SER 15 CO 0.42 0.00 0.08 -0.08 -0.53 0.00 0.00 176.83 176.72 1yel h GLU 16 N 0.00 0.89 0.00 2.24 4.81 -2.00 -2.37 114.58 118.15 1yel h GLU 16 Ca 0.00 -0.24 -0.34 0.00 -0.13 0.00 0.00 59.36 58.65 1yel h GLU 16 Cb 0.06 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 1yel h GLU 16 CO 0.00 0.87 -2.29 1.17 -0.73 0.00 0.00 179.01 178.03 1yel n LYS 17 N -4.36 0.93 -0.00 1.92 4.81 -0.58 -4.17 118.16 116.71 1yel n LYS 17 Ca 0.02 -0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.50 1yel n LYS 17 Cb 0.27 -1.48 0.26 0.00 0.02 0.00 0.00 35.03 34.09 1yel n LYS 17 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1yel n SER 18 N -2.71 0.02 0.14 3.14 3.41 -0.38 -2.23 113.62 115.00 1yel n SER 18 Ca -0.31 -1.73 -0.01 0.00 -0.26 0.00 0.00 58.87 56.56 1yel n SER 18 Cb 1.11 -0.00 0.18 0.00 -0.26 0.00 0.00 64.21 65.24 1yel n SER 18 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1yel h SER 19 N 0.02 0.00 0.00 4.04 4.64 -1.58 -3.38 113.55 117.28 1yel h SER 19 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1yel h SER 19 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1yel h SER 19 CO 0.00 0.60 -1.42 2.29 -0.87 0.00 0.00 176.83 177.43 1yel n LYS 20 N -3.81 0.25 -3.54 4.77 2.85 -1.05 -4.80 118.16 112.84 1yel n LYS 20 Ca -0.01 0.04 -0.14 0.00 -1.05 0.00 0.00 58.31 57.15 1yel n LYS 20 Cb 0.60 -1.15 -0.05 0.00 -0.65 0.00 0.00 35.03 33.79 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 -4.70 -0.49 -0.07 -5.58 1.04 -0.95 -4.01 113.70 98.95 1yel s SER 21 Ca -0.10 0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 1yel s SER 21 Cb 0.03 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1yel s SER 21 CO 0.17 -0.76 0.29 -0.76 0.98 0.00 0.00 173.24 173.16 1yel s LEU 22 N -2.06 4.41 -0.27 2.42 1.43 -0.03 -3.45 118.68 121.13 1yel s LEU 22 Ca -0.04 0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 53.48 1yel s LEU 22 Cb -0.01 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.87 1yel s LEU 22 CO -0.03 0.33 1.10 -1.61 0.23 0.00 0.00 176.35 176.37 1yel s GLU 23 N -0.86 4.13 -0.29 1.70 2.02 -1.26 -0.23 118.70 123.91 1yel s GLU 23 Ca 0.19 1.24 -0.14 0.00 0.02 0.00 0.00 54.97 56.28 1yel s GLU 23 Cb -0.14 -3.72 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 1yel s GLU 23 CO 0.09 -0.81 0.32 0.42 0.02 0.00 0.00 175.26 175.29 1yel s ILE 24 N 3.55 5.21 0.27 -1.63 1.01 0.48 -4.94 121.20 125.15 1yel s ILE 24 Ca 0.47 0.34 -0.29 0.00 0.00 0.00 0.00 60.65 61.17 1yel s ILE 24 Cb -0.14 -3.68 -0.14 0.00 0.01 0.00 0.00 42.46 38.50 1yel s ILE 24 CO 0.13 0.12 1.04 -2.65 0.00 0.00 0.00 174.94 173.59 1yel n PRO 25 N 5.27 1.33 -0.18 2.79 -0.02 -1.26 -2.89 135.00 140.03 1yel n PRO 25 Ca -0.10 0.47 -0.03 0.00 -2.02 0.00 0.00 63.50 61.81 1yel n PRO 25 Cb 0.51 -1.86 0.17 0.00 -0.02 0.00 0.00 33.50 32.29 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 2.31 0.87 -1.30 2.45 6.46 -1.93 -0.27 115.31 123.90 1yel h LEU 26 Ca -0.40 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.16 1yel h LEU 26 Cb 1.34 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1yel h LEU 26 CO 0.63 0.80 -0.34 1.23 -0.62 0.00 0.00 178.44 180.13 1yel h GLY 27 N 1.03 0.00 0.94 3.75 0.00 -1.90 0.42 103.07 107.30 1yel h GLY 27 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.39 1yel h GLY 27 CO -0.02 0.00 -0.51 -2.75 0.00 0.00 0.00 176.54 173.26 1yel h PHE 28 N 0.00 0.78 -0.81 5.60 3.57 -1.65 -2.08 116.94 122.35 1yel h PHE 28 Ca -0.00 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.13 1yel h PHE 28 Cb 0.65 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1yel h PHE 28 CO 0.00 1.11 0.34 -0.97 -2.23 0.00 0.00 178.31 176.56 1yel h ASN 29 N 0.23 1.10 0.23 0.41 -1.24 -0.66 -1.99 115.58 113.68 1yel h ASN 29 Ca -0.02 -0.16 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1yel h ASN 29 Cb 1.14 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.90 1yel h ASN 29 CO 0.11 0.96 -0.09 -0.08 -1.29 0.00 0.00 177.43 177.04 1yel h GLU 30 N 1.17 0.00 0.00 6.67 4.81 -0.08 -1.39 114.58 125.76 1yel h GLU 30 Ca 0.27 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 1yel h GLU 30 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1yel h GLU 30 CO -0.03 0.09 -0.81 -0.92 -0.73 0.00 0.00 179.01 176.62 1yel h TYR 31 N 0.00 0.00 -0.33 0.92 3.20 -0.64 -3.45 116.97 116.67 1yel h TYR 31 Ca -0.00 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.07 1yel h TYR 31 Cb 0.23 0.00 -0.19 0.00 1.54 0.00 0.00 36.73 38.31 1yel h TYR 31 CO 0.00 0.76 -0.04 -0.59 -1.64 0.00 0.00 178.16 176.65 1yel s PHE 32 N -2.83 -0.61 0.25 -3.82 -0.71 -0.59 -5.10 117.98 104.57 1yel s PHE 32 Ca 0.02 0.37 -0.12 0.00 -1.04 0.00 0.00 56.93 56.16 1yel s PHE 32 Cb 0.09 0.11 -0.08 0.00 -1.21 0.00 0.00 43.02 41.93 1yel s PHE 32 CO 0.79 -0.36 0.61 -1.25 -1.34 0.00 0.00 175.22 173.67 1yel s PRO 33 N 2.94 3.90 0.09 1.99 0.04 -0.83 -4.62 135.00 138.52 1yel s PRO 33 Ca 0.25 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1yel s PRO 33 Cb -0.03 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.90 1yel s PRO 33 CO -0.23 0.29 0.29 0.00 0.04 0.00 0.00 177.00 177.39 1yel s ALA 34 N -1.81 -0.58 0.32 8.56 0.00 -1.26 -5.13 121.76 121.86 1yel s ALA 34 Ca 0.48 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 1yel s ALA 34 Cb -0.12 0.51 -0.12 0.00 0.00 0.00 0.00 23.12 23.40 1yel s ALA 34 CO 0.20 -0.53 1.53 -2.30 0.00 0.00 0.00 175.76 174.66 1yel n PRO 35 N 0.05 2.63 -2.25 0.00 -0.02 -1.26 -4.88 135.00 129.27 1yel n PRO 35 Ca -0.16 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 1yel n PRO 35 Cb 0.62 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.46 3.08 0.28 6.00 -0.12 -1.26 -4.97 117.98 120.52 1yel s PHE 36 Ca 0.60 0.95 -0.29 0.00 -0.05 0.00 0.00 56.93 58.14 1yel s PHE 36 Cb -0.50 -3.62 -0.10 0.00 -0.63 0.00 0.00 43.02 38.17 1yel s PHE 36 CO 0.55 -2.20 1.37 -1.25 -0.05 0.00 0.00 175.22 173.64 1yel s PRO 37 N 1.78 4.31 0.10 1.99 0.04 -1.26 -4.94 135.00 137.02 1yel s PRO 37 Ca 0.63 2.24 -0.21 0.00 0.04 0.00 0.00 61.00 63.70 1yel s PRO 37 Cb -0.32 -3.10 -0.11 0.00 0.04 0.00 0.00 34.50 31.00 1yel s PRO 37 CO 0.28 -0.31 1.71 0.82 0.04 0.00 0.00 177.00 179.53 1yel h ILE 38 N 3.37 1.08 -3.87 0.56 1.08 -1.94 -3.18 117.51 114.61 1yel h ILE 38 Ca -0.47 -0.20 -0.49 0.00 -0.39 0.00 0.00 64.86 63.31 1yel h ILE 38 Cb 1.22 1.00 -0.21 0.00 -3.07 0.00 0.00 36.82 35.76 1yel h ILE 38 CO 0.73 0.07 -0.80 0.42 -0.69 0.00 0.00 178.15 177.88 1yel s THR 39 N -5.94 1.46 0.10 -0.27 -4.23 -1.26 -3.57 115.64 101.93 1yel s THR 39 Ca -0.13 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1yel s THR 39 Cb 0.07 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 1yel s THR 39 CO 0.68 -0.17 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.80 1yel s VAL 40 N -1.34 1.04 -0.20 2.29 1.01 0.19 -4.88 120.40 118.52 1yel s VAL 40 Ca 0.04 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.31 1yel s VAL 40 Cb -0.09 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1yel s VAL 40 CO 0.04 -0.52 -0.00 -1.81 0.00 0.00 0.00 175.10 172.80 1yel s ASP 41 N -2.45 4.85 -0.23 3.32 1.01 -0.96 -1.60 116.67 120.60 1yel s ASP 41 Ca 0.06 -0.19 -0.05 0.00 0.71 0.00 0.00 52.55 53.08 1yel s ASP 41 Cb -0.03 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 1yel s ASP 41 CO 0.01 0.07 0.01 -0.76 0.21 0.00 0.00 175.17 174.71 1yel s LEU 42 N 0.94 3.15 0.08 1.23 1.43 -0.58 -1.19 118.68 123.74 1yel s LEU 42 Ca 0.01 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1yel s LEU 42 Cb -0.14 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1yel s LEU 42 CO 0.02 -0.02 0.05 -0.76 0.23 0.00 0.00 176.35 175.87 1yel s LEU 43 N 1.52 3.69 0.24 1.79 2.01 0.13 -0.29 118.68 127.78 1yel s LEU 43 Ca 0.06 -0.06 0.09 0.00 0.01 0.00 0.00 54.13 54.22 1yel s LEU 43 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 46.19 43.63 1yel s LEU 43 CO 0.00 0.18 0.03 -0.62 1.01 0.00 0.00 176.35 176.95 1yel s ASP 44 N -2.34 4.77 0.17 2.29 -1.08 -0.60 -0.45 116.67 119.42 1yel s ASP 44 Ca 0.28 -0.52 0.23 0.00 -0.52 0.00 0.00 52.55 52.02 1yel s ASP 44 Cb -0.12 -0.98 0.90 0.00 -1.46 0.00 0.00 42.92 41.26 1yel s ASP 44 CO 0.21 0.01 1.71 0.00 0.52 0.00 0.00 175.17 177.62 1yel n TYR 45 N -0.77 0.60 -1.58 -5.34 4.11 -1.26 -4.57 117.16 108.35 1yel n TYR 45 Ca -0.07 0.21 0.00 0.00 -0.00 0.00 0.00 57.90 58.04 1yel n TYR 45 Cb 0.58 -0.84 0.00 0.00 -0.00 0.00 0.00 39.34 39.08 1yel n TYR 45 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1yel n SER 46 N -2.02 0.00 0.00 9.48 2.88 -1.26 -4.96 113.62 117.73 1yel n SER 46 Ca 0.04 -0.23 0.05 0.00 -1.33 0.00 0.00 58.87 57.40 1yel n SER 46 Cb 0.28 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.01 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 5.00 -0.89 3.80 0.46 0.00 -1.26 -4.84 105.19 107.46 1yel n GLY 47 Ca 0.00 -0.06 -0.36 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 -2.00 4.43 -0.14 1.61 1.81 -1.26 -5.00 118.95 118.40 1yel s ARG 48 Ca 0.14 1.17 -0.11 0.00 -1.72 0.00 0.00 55.73 55.21 1yel s ARG 48 Cb 0.06 -2.69 0.04 0.00 -0.45 0.00 0.00 34.95 31.91 1yel s ARG 48 CO 0.11 0.24 0.36 -1.54 -0.68 0.00 0.00 175.30 173.79 1yel s SER 49 N -1.75 -0.40 -0.01 0.23 1.04 -1.26 -1.56 113.70 109.99 1yel s SER 49 Ca 0.51 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.74 1yel s SER 49 Cb -0.16 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1yel s SER 49 CO 0.21 -0.15 -0.17 0.26 0.98 0.00 0.00 173.24 174.37 1yel s TRP 50 N 0.60 1.52 -0.36 5.02 0.51 0.61 -4.99 118.94 121.85 1yel s TRP 50 Ca -0.03 -0.29 -0.16 0.00 -2.12 0.00 0.00 56.10 53.50 1yel s TRP 50 Cb -0.05 -0.97 -0.00 0.00 -0.81 0.00 0.00 33.47 31.63 1yel s TRP 50 CO -0.04 -0.02 0.39 0.99 -0.51 0.00 0.00 176.95 177.77 1yel s THR 51 N -0.42 5.14 0.17 2.01 2.01 -1.26 -1.52 115.64 121.76 1yel s THR 51 Ca 0.06 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.16 1yel s THR 51 Cb -0.07 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1yel s THR 51 CO -0.01 -0.17 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.89 1yel s VAL 52 N 2.08 1.80 -0.12 3.82 1.01 -0.63 -4.48 120.40 123.89 1yel s VAL 52 Ca 0.13 -1.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.11 1yel s VAL 52 Cb -0.17 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1yel s VAL 52 CO 0.12 -0.34 0.10 -0.13 0.00 0.00 0.00 175.10 174.85 1yel s ARG 53 N -2.87 3.36 -0.03 2.72 0.52 -0.61 0.54 118.95 122.59 1yel s ARG 53 Ca 0.16 -0.21 0.07 0.00 -0.52 0.00 0.00 55.73 55.24 1yel s ARG 53 Cb -0.05 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 1yel s ARG 53 CO 0.07 0.73 -0.26 1.41 0.02 0.00 0.00 175.30 177.27 1yel s MET 54 N -0.91 2.21 -0.07 3.54 -2.45 -1.20 -0.21 119.30 120.21 1yel s MET 54 Ca 0.14 -0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 53.63 1yel s MET 54 Cb -0.12 -2.06 0.03 0.00 1.25 0.00 0.00 34.83 33.94 1yel s MET 54 CO 0.03 0.51 0.15 0.21 1.05 0.00 0.00 175.02 176.97 1yel s LYS 55 N -0.49 0.12 -0.15 4.11 2.20 0.29 -4.24 119.74 121.59 1yel s LYS 55 Ca 0.06 0.34 -0.18 0.00 -0.36 0.00 0.00 55.97 55.83 1yel s LYS 55 Cb -0.11 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.06 1yel s LYS 55 CO 0.00 -0.13 0.49 0.21 -0.36 0.00 0.00 175.35 175.56 1yel s LYS 56 N 0.92 4.29 -0.30 4.03 2.20 -1.26 -0.35 119.74 129.26 1yel s LYS 56 Ca -0.07 0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 1yel s LYS 56 Cb -0.09 -3.48 0.11 0.00 -1.51 0.00 0.00 37.83 32.86 1yel s LYS 56 CO -0.05 0.06 0.14 0.50 -0.36 0.00 0.00 175.35 175.64 1yel s ARG 57 N 0.95 0.33 4.78 4.03 3.00 -0.57 -4.95 118.95 126.52 1yel s ARG 57 Ca 0.25 -0.75 0.00 0.00 -1.00 0.00 0.00 55.73 54.24 1yel s ARG 57 Cb -0.15 -1.30 0.00 0.00 0.00 0.00 0.00 34.95 33.50 1yel s ARG 57 CO 0.10 -1.05 0.00 0.41 0.00 0.00 0.00 175.30 174.76 1yel n GLY 58 N 4.98 0.34 0.50 8.12 0.00 -1.26 -3.40 105.19 114.48 1yel n GLY 58 Ca -0.02 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 11.35 1.64 -4.37 1.61 4.71 -1.26 -4.86 120.64 129.46 1yel n GLU 59 Ca 0.00 -1.00 -0.19 0.00 -0.01 0.00 0.00 57.16 55.96 1yel n GLU 59 Cb 0.00 -1.48 -0.10 0.00 -1.01 0.00 0.00 31.44 28.85 1yel n GLU 59 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1yel s LYS 60 N -2.05 1.53 0.08 3.49 -2.85 -1.22 -4.57 119.74 114.16 1yel s LYS 60 Ca 0.36 -1.85 0.08 0.00 -1.00 0.00 0.00 55.97 53.56 1yel s LYS 60 Cb 0.21 -0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 35.51 1yel s LYS 60 CO 0.35 -0.30 -0.21 0.08 0.10 0.00 0.00 175.35 175.37 1yel s VAL 61 N -3.58 1.70 -0.03 1.79 1.01 -1.14 -1.51 120.40 118.64 1yel s VAL 61 Ca 0.36 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.98 1yel s VAL 61 Cb 0.07 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1yel s VAL 61 CO 0.15 0.05 -0.20 -0.36 0.00 0.00 0.00 175.10 174.74 1yel s PHE 62 N -1.02 1.87 -0.57 5.22 0.08 0.53 -0.38 117.98 123.71 1yel s PHE 62 Ca 0.07 -0.47 -0.21 0.00 0.12 0.00 0.00 56.93 56.44 1yel s PHE 62 Cb -0.10 -1.23 0.07 0.00 -0.57 0.00 0.00 43.02 41.19 1yel s PHE 62 CO 0.03 -0.12 0.77 -1.17 -0.10 0.00 0.00 175.22 174.63 1yel s LEU 63 N -0.19 4.80 0.00 -0.37 2.96 0.68 -0.54 118.68 126.01 1yel s LEU 63 Ca 0.01 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 1yel s LEU 63 Cb -0.10 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.12 1yel s LEU 63 CO 0.01 -1.13 0.00 0.35 -1.32 0.00 0.00 176.35 174.27 1yel n THR 64 N 5.76 0.00 -1.67 3.68 -2.24 0.70 -0.85 114.28 119.67 1yel n THR 64 Ca -0.05 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1yel n THR 64 Cb 0.45 -1.40 0.02 0.00 -2.10 0.00 0.00 70.33 67.31 1yel n THR 64 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1yel n VAL 65 N -0.04 2.93 0.00 2.28 3.14 -1.26 -3.03 118.33 122.36 1yel n VAL 65 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1yel n VAL 65 Cb 0.00 -1.40 0.00 0.00 -1.06 0.00 0.00 33.84 31.38 1yel n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1yel n GLY 66 N 0.98 2.10 0.30 7.55 0.00 -1.26 -1.57 105.19 113.29 1yel n GLY 66 Ca 0.09 -0.71 0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.76 -2.24 115.95 115.75 1yel h TRP 67 Ca 0.00 0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.21 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 0.00 0.51 1.49 -1.03 0.00 0.00 178.44 179.41 1yel h GLU 68 N 0.00 0.12 -0.03 2.65 4.22 -1.84 0.12 114.58 119.82 1yel h GLU 68 Ca 0.01 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1yel h GLU 68 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1yel h GLU 68 CO -0.00 0.08 -0.35 -0.91 -2.18 0.00 0.00 179.01 175.65 1yel h ASN 69 N 0.13 0.06 0.10 1.04 4.21 -1.77 -0.95 115.58 118.40 1yel h ASN 69 Ca 0.35 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 1yel h ASN 69 Cb 1.20 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 1yel h ASN 69 CO -0.05 0.41 -0.05 0.15 -1.29 0.00 0.00 177.43 176.60 1yel h PHE 70 N 0.05 -0.13 -0.71 1.19 3.04 -0.96 0.36 116.94 119.79 1yel h PHE 70 Ca 0.00 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 1yel h PHE 70 Cb 0.65 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.17 1yel h PHE 70 CO 0.00 0.39 0.24 0.28 -2.02 0.00 0.00 178.31 177.20 1yel h VAL 71 N -0.81 1.25 -0.25 1.41 2.07 -1.44 0.33 116.25 118.80 1yel h VAL 71 Ca -0.01 -0.85 -0.18 0.00 0.82 0.00 0.00 66.70 66.47 1yel h VAL 71 Cb 0.57 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1yel h VAL 71 CO 0.02 0.34 -0.57 0.07 0.02 0.00 0.00 177.57 177.45 1yel h LYS 72 N 1.05 0.80 0.10 1.57 2.10 -1.24 -1.20 116.57 119.75 1yel h LYS 72 Ca 0.23 -0.52 -0.28 0.00 -2.00 0.00 0.00 60.65 58.09 1yel h LYS 72 Cb 0.27 0.07 0.03 0.00 -0.90 0.00 0.00 32.23 31.69 1yel h LYS 72 CO -0.01 1.14 -1.15 0.22 -2.00 0.00 0.00 179.45 177.65 1yel h ASP 73 N 0.60 0.84 1.44 7.07 3.58 -0.43 -3.22 116.42 126.30 1yel h ASP 73 Ca 0.01 -0.82 -0.02 0.00 0.42 0.00 0.00 57.03 56.62 1yel h ASP 73 Cb 1.16 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1yel h ASP 73 CO 0.12 1.57 -0.57 -1.13 -2.88 0.00 0.00 179.24 176.35 1yel h ASN 74 N 0.22 0.00 -5.92 2.28 -0.73 -0.51 -3.49 115.58 107.42 1yel h ASN 74 Ca -0.17 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 57.97 1yel h ASN 74 Cb 1.84 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.43 1yel h ASN 74 CO 0.22 0.09 -0.99 -3.20 -0.37 0.00 0.00 177.43 173.18 1yel n ASN 75 N -2.92 -7.05 -3.94 1.15 2.85 -0.45 -5.05 115.26 99.85 1yel n ASN 75 Ca 0.01 0.71 -0.09 0.00 -0.11 0.00 0.00 54.58 55.10 1yel n ASN 75 Cb 0.58 -3.03 -0.05 0.00 1.24 0.00 0.00 39.78 38.52 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 -1.41 0.28 0.27 1.20 0.05 -1.22 -5.06 118.68 112.79 1yel s LEU 76 Ca 0.04 -0.83 -0.01 0.00 0.05 0.00 0.00 54.13 53.39 1yel s LEU 76 Cb -0.01 1.86 -0.02 0.00 -2.05 0.00 0.00 46.19 45.98 1yel s LEU 76 CO 0.37 -1.13 0.30 -1.83 -0.55 0.00 0.00 176.35 173.51 1yel s GLU 77 N -3.98 1.55 0.14 1.48 -1.05 -1.26 -4.97 118.70 110.61 1yel s GLU 77 Ca 0.19 -1.70 -0.35 0.00 -0.15 0.00 0.00 54.97 52.96 1yel s GLU 77 Cb -0.01 0.35 -0.15 0.00 -0.44 0.00 0.00 34.13 33.88 1yel s GLU 77 CO 0.06 -0.58 1.44 -0.40 0.95 0.00 0.00 175.26 176.73 1yel n ASP 78 N -0.87 2.37 0.00 0.83 5.75 -1.26 -3.30 116.55 120.07 1yel n ASP 78 Ca 0.03 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.91 1yel n ASP 78 Cb 0.63 -1.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1yel n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yel n GLY 79 N 2.87 4.31 3.87 6.12 0.00 -1.26 -4.95 105.19 116.16 1yel n GLY 79 Ca 0.17 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 3.73 0.26 1.61 1.02 -1.21 -5.07 119.74 120.08 1yel s LYS 80 Ca 0.00 0.12 0.12 0.00 0.02 0.00 0.00 55.97 56.23 1yel s LYS 80 Cb 0.00 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 1yel s LYS 80 CO 0.00 0.54 -0.18 0.71 -0.92 0.00 0.00 175.35 175.50 1yel s TYR 81 N -1.46 2.35 -0.09 3.18 2.02 -1.25 -4.67 117.35 117.43 1yel s TYR 81 Ca 0.35 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1yel s TYR 81 Cb -0.13 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 1yel s TYR 81 CO 0.19 0.67 -0.07 -0.51 -1.57 0.00 0.00 175.55 174.26 1yel s LEU 82 N -3.38 3.14 -0.14 -1.29 1.43 -1.26 -0.18 118.68 117.00 1yel s LEU 82 Ca 0.29 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1yel s LEU 82 Cb -0.06 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1yel s LEU 82 CO 0.15 0.31 -0.09 -1.58 0.23 0.00 0.00 176.35 175.37 1yel s GLN 83 N -0.51 3.46 -0.26 1.70 0.74 0.64 -3.43 119.66 122.00 1yel s GLN 83 Ca 0.08 -0.60 -0.06 0.00 0.05 0.00 0.00 55.36 54.83 1yel s GLN 83 Cb -0.12 -2.75 -0.00 0.00 1.10 0.00 0.00 33.01 31.24 1yel s GLN 83 CO 0.02 0.26 0.03 -0.06 -0.55 0.00 0.00 175.29 174.99 1yel s PHE 84 N 0.27 3.07 -0.36 1.67 0.08 0.14 -1.51 117.98 121.35 1yel s PHE 84 Ca -0.06 -0.91 -0.14 0.00 0.12 0.00 0.00 56.93 55.94 1yel s PHE 84 Cb -0.15 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.10 1yel s PHE 84 CO 0.04 -0.54 0.27 0.42 -0.10 0.00 0.00 175.22 175.31 1yel s ILE 85 N 1.50 5.27 0.12 0.64 1.01 0.95 -0.00 121.20 130.68 1yel s ILE 85 Ca 0.04 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1yel s ILE 85 Cb -0.16 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1yel s ILE 85 CO 0.00 -0.09 -0.15 -0.47 0.00 0.00 0.00 174.94 174.24 1yel s TYR 86 N 1.75 1.42 0.01 3.97 5.04 0.90 -0.73 117.35 129.70 1yel s TYR 86 Ca 0.07 -0.54 -0.05 0.00 -2.44 0.00 0.00 57.07 54.10 1yel s TYR 86 Cb -0.18 -0.75 -0.00 0.00 0.35 0.00 0.00 41.96 41.38 1yel s TYR 86 CO 0.11 0.15 0.10 0.34 -1.34 0.00 0.00 175.55 174.90 1yel s ASP 87 N -2.38 0.07 -0.77 4.32 2.15 -1.26 -1.25 116.67 117.56 1yel s ASP 87 Ca 0.08 -0.27 -0.24 0.00 0.43 0.00 0.00 52.55 52.56 1yel s ASP 87 Cb -0.06 0.18 -0.17 0.00 -0.30 0.00 0.00 42.92 42.58 1yel s ASP 87 CO 0.03 -0.35 2.40 0.54 -0.17 0.00 0.00 175.17 177.63 1yel n ARG 88 N 1.53 0.53 0.00 4.34 3.00 -1.26 -4.58 116.66 120.21 1yel n ARG 88 Ca -0.23 -0.37 0.00 0.00 -0.01 0.00 0.00 57.85 57.24 1yel n ARG 88 Cb 0.55 -2.91 0.00 0.00 0.00 0.00 0.00 32.46 30.11 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 14.73 0.00 -0.67 0.55 2.03 -1.26 -5.02 116.55 126.91 1yel n ASP 89 Ca 0.50 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.86 1yel n ASP 89 Cb 0.37 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.96 1yel n ASP 89 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1yel n ARG 90 N 0.00 1.81 -4.48 -0.67 0.63 -1.26 -4.97 116.66 107.72 1yel n ARG 90 Ca 0.00 -3.00 -0.28 0.00 -0.92 0.00 0.00 57.85 53.65 1yel n ARG 90 Cb 0.00 -1.68 -0.17 0.00 0.45 0.00 0.00 32.46 31.06 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 -3.07 1.45 -0.08 5.15 2.01 -1.26 -2.27 115.64 117.56 1yel s THR 91 Ca 0.39 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1yel s THR 91 Cb 0.35 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1yel s THR 91 CO 0.00 0.43 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.76 1yel s PHE 92 N 0.95 2.50 -0.31 4.92 0.40 -0.34 -4.23 117.98 121.87 1yel s PHE 92 Ca -0.08 -0.87 -0.09 0.00 -0.60 0.00 0.00 56.93 55.29 1yel s PHE 92 Cb -0.15 -1.65 -0.00 0.00 0.51 0.00 0.00 43.02 41.73 1yel s PHE 92 CO -0.01 -0.31 0.15 0.71 0.70 0.00 0.00 175.22 176.46 1yel s TYR 93 N 0.06 3.18 0.07 0.36 2.02 0.09 -0.69 117.35 122.44 1yel s TYR 93 Ca -0.10 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 55.95 1yel s TYR 93 Cb -0.16 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 1yel s TYR 93 CO 0.06 -0.49 0.09 0.14 -1.57 0.00 0.00 175.55 173.78 1yel s VAL 94 N 1.59 4.65 -0.04 0.71 -7.23 0.40 -0.03 120.40 120.45 1yel s VAL 94 Ca 0.04 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 1yel s VAL 94 Cb -0.17 -3.23 0.02 0.00 0.56 0.00 0.00 36.38 33.56 1yel s VAL 94 CO 0.06 0.15 0.08 -0.51 -0.31 0.00 0.00 175.10 174.57 1yel s ILE 95 N -1.38 -0.02 0.02 -0.62 2.07 -0.57 -4.09 121.20 116.61 1yel s ILE 95 Ca 0.29 0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.49 1yel s ILE 95 Cb -0.12 -0.14 -0.06 0.00 0.13 0.00 0.00 42.46 42.27 1yel s ILE 95 CO 0.22 0.04 0.40 0.27 -1.91 0.00 0.00 174.94 173.95 1yel s ILE 96 N 0.54 5.06 -0.40 2.00 -4.36 -1.26 -0.26 121.20 122.51 1yel s ILE 96 Ca -0.04 0.70 -0.27 0.00 -0.26 0.00 0.00 60.65 60.79 1yel s ILE 96 Cb -0.06 -3.68 0.02 0.00 1.25 0.00 0.00 42.46 39.99 1yel s ILE 96 CO -0.02 0.49 0.98 -0.31 0.24 0.00 0.00 174.94 176.32 1yel s TYR 97 N -1.18 3.00 0.00 1.37 1.51 0.75 -4.58 117.35 118.22 1yel s TYR 97 Ca 0.26 0.72 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 1yel s TYR 97 Cb -0.16 -3.88 0.00 0.00 -0.11 0.00 0.00 41.96 37.82 1yel s TYR 97 CO 0.15 -0.97 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 1yel n GLY 98 N 4.54 -0.49 2.92 0.71 0.00 -1.26 -3.96 105.19 107.65 1yel n GLY 98 Ca 0.08 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.35 0.00 1.61 -0.00 -1.26 -4.92 115.22 107.30 1yel n HIS 99 Ca 0.00 1.40 0.00 0.00 -0.00 0.00 0.00 57.72 59.12 1yel n HIS 99 Cb 0.00 -3.63 0.00 0.00 -0.00 0.00 0.00 29.99 26.36 1yel n HIS 99 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1yel n ASN 100 N 0.06 0.00 -3.35 0.26 5.15 -1.26 -4.93 115.26 111.19 1yel n ASN 100 Ca 0.06 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.75 1yel n ASN 100 Cb 0.37 0.22 -0.06 0.00 -0.53 0.00 0.00 39.78 39.78 1yel n ASN 100 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1yel n MET 101 N -2.05 2.91 0.00 1.20 1.56 -1.26 -5.36 117.12 114.12 1yel n MET 101 Ca 0.00 -4.72 0.00 0.00 -0.27 0.00 0.00 57.70 52.71 1yel n MET 101 Cb 0.00 -2.28 0.00 0.00 2.15 0.00 0.00 33.22 33.09 1yel n MET 101 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24