#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 2.11 0.02 3.17 0.00 -1.26 -5.10 121.76 120.70 1yel s ALA 2 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 1yel s ALA 2 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1yel s ALA 2 CO 0.00 -1.37 1.12 -0.51 0.00 0.00 0.00 175.76 175.00 1yel s ASP 3 N 1.32 7.18 0.22 0.00 1.11 -1.26 -4.91 116.67 120.32 1yel s ASP 3 Ca -0.00 1.85 0.00 0.00 0.18 0.00 0.00 52.55 54.58 1yel s ASP 3 Cb -0.19 -2.57 0.19 0.00 1.07 0.00 0.00 42.92 41.42 1yel s ASP 3 CO -0.09 -0.42 1.54 0.74 1.18 0.00 0.00 175.17 178.12 1yel h THR 4 N 4.70 1.34 0.00 -1.27 2.02 -1.99 -3.47 112.91 114.24 1yel h THR 4 Ca -0.40 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1yel h THR 4 Cb 1.21 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1yel h THR 4 CO 0.80 0.55 0.00 0.61 0.37 0.00 0.00 175.52 177.86 1yel n GLY 5 N 0.20 0.48 3.56 2.16 0.00 -1.26 -4.89 105.19 105.44 1yel n GLY 5 Ca -0.03 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 3.22 0.05 1.61 -6.30 -1.26 -4.16 118.70 111.86 1yel s GLU 6 Ca 0.00 -0.01 0.06 0.00 -2.50 0.00 0.00 54.97 52.52 1yel s GLU 6 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 34.13 29.94 1yel s GLU 6 CO 0.00 -2.09 -0.17 0.14 0.02 0.00 0.00 175.26 173.16 1yel s VAL 7 N 5.90 1.34 0.04 3.70 -7.23 -1.26 -5.04 120.40 117.86 1yel s VAL 7 Ca 0.41 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1yel s VAL 7 Cb -0.09 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1yel s VAL 7 CO 0.18 0.02 -0.06 0.00 -0.31 0.00 0.00 175.10 174.93 1yel s GLN 8 N -1.34 0.53 0.01 4.82 -2.07 -1.26 -1.37 119.66 118.97 1yel s GLN 8 Ca 0.03 -0.83 -0.04 0.00 -1.82 0.00 0.00 55.36 52.71 1yel s GLN 8 Cb -0.09 -0.17 -0.01 0.00 -1.09 0.00 0.00 33.01 31.66 1yel s GLN 8 CO 0.02 0.01 0.07 0.12 -1.32 0.00 0.00 175.29 174.19 1yel s PHE 9 N -1.82 0.12 0.05 9.60 5.36 0.43 -5.00 117.98 126.72 1yel s PHE 9 Ca -0.08 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.63 1yel s PHE 9 Cb -0.07 -0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 1yel s PHE 9 CO -0.01 -0.23 -0.05 0.00 -1.46 0.00 0.00 175.22 173.47 1yel s MET 10 N -1.33 0.55 -0.09 10.12 0.23 -1.26 -0.13 119.30 127.39 1yel s MET 10 Ca -0.14 -0.96 -0.19 0.00 -1.03 0.00 0.00 55.69 53.37 1yel s MET 10 Cb -0.08 -0.02 0.04 0.00 -1.53 0.00 0.00 34.83 33.24 1yel s MET 10 CO 0.00 -0.04 0.45 0.21 -2.03 0.00 0.00 175.02 173.61 1yel s LYS 11 N -2.64 0.70 0.35 3.16 2.20 -1.22 -5.02 119.74 117.28 1yel s LYS 11 Ca -0.03 0.24 -0.25 0.00 -0.36 0.00 0.00 55.97 55.56 1yel s LYS 11 Cb -0.02 0.32 -0.13 0.00 -1.51 0.00 0.00 37.83 36.49 1yel s LYS 11 CO -0.04 -0.16 0.81 -2.30 -0.36 0.00 0.00 175.35 173.30 1yel n PRO 12 N 1.83 0.96 -4.13 4.03 -0.02 -1.26 -4.16 135.00 132.25 1yel n PRO 12 Ca -0.18 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.30 1yel n PRO 12 Cb 0.56 -1.69 -0.13 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.24 2.97 -0.20 6.00 5.36 -1.26 -4.97 117.98 124.64 1yel s PHE 13 Ca 0.62 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 1yel s PHE 13 Cb -0.66 -2.05 0.05 0.00 -0.34 0.00 0.00 43.02 40.02 1yel s PHE 13 CO 0.58 -0.35 -0.07 0.42 -1.46 0.00 0.00 175.22 174.35 1yel s ILE 14 N 1.06 1.44 -0.97 3.12 1.01 -1.26 -4.65 121.20 120.94 1yel s ILE 14 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1yel s ILE 14 Cb -0.15 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1yel s ILE 14 CO 0.00 0.06 0.93 -1.54 0.00 0.00 0.00 174.94 174.39 1yel n SER 15 N 4.74 0.00 0.08 3.58 3.41 -1.26 -0.89 113.62 123.28 1yel n SER 15 Ca -0.13 0.43 -0.04 0.00 -0.26 0.00 0.00 58.87 58.88 1yel n SER 15 Cb 0.46 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.90 1yel n SER 15 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1yel h GLU 16 N 0.00 0.00 0.00 4.33 5.08 -1.99 -3.29 114.58 118.71 1yel h GLU 16 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1yel h GLU 16 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1yel h GLU 16 CO 0.00 0.77 -1.69 1.63 -1.00 0.00 0.00 179.01 178.72 1yel n LYS 17 N -3.26 0.73 0.00 2.33 5.02 -0.07 -4.47 118.16 118.44 1yel n LYS 17 Ca -0.01 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.45 1yel n LYS 17 Cb 0.88 -1.24 0.71 0.00 -0.02 0.00 0.00 35.03 35.36 1yel n LYS 17 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1yel n SER 18 N -2.76 0.00 0.18 4.39 3.41 -0.24 -2.10 113.62 116.50 1yel n SER 18 Ca -0.20 -0.71 0.05 0.00 -0.26 0.00 0.00 58.87 57.76 1yel n SER 18 Cb 0.75 -0.02 0.24 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.00 0.00 0.00 4.04 4.64 -1.77 -3.38 113.55 117.07 1yel h SER 19 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1yel h SER 19 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1yel h SER 19 CO 0.00 0.39 -1.30 1.17 -0.87 0.00 0.00 176.83 176.22 1yel n LYS 20 N -3.37 0.95 -3.95 4.77 3.00 -0.89 -4.87 118.16 113.79 1yel n LYS 20 Ca 0.01 0.02 -0.09 0.00 -0.00 0.00 0.00 58.31 58.25 1yel n LYS 20 Cb 0.58 -1.11 -0.05 0.00 0.00 0.00 0.00 35.03 34.46 1yel n LYS 20 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1yel s SER 21 N -4.25 -0.13 -0.29 3.14 1.04 -0.97 -4.58 113.70 107.65 1yel s SER 21 Ca -0.06 -0.84 -0.07 0.00 0.48 0.00 0.00 55.95 55.47 1yel s SER 21 Cb 0.02 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1yel s SER 21 CO 0.13 -1.18 0.08 -0.22 0.98 0.00 0.00 173.24 173.04 1yel s LEU 22 N -2.99 3.84 -0.28 2.42 0.20 0.22 -3.57 118.68 118.52 1yel s LEU 22 Ca 0.19 -0.67 -0.29 0.00 0.69 0.00 0.00 54.13 54.05 1yel s LEU 22 Cb -0.02 -1.89 -0.00 0.00 -0.43 0.00 0.00 46.19 43.85 1yel s LEU 22 CO 0.08 -0.18 1.33 -1.83 -0.29 0.00 0.00 176.35 175.45 1yel s GLU 23 N 1.51 3.94 -0.22 1.98 -1.05 -1.26 -2.10 118.70 121.49 1yel s GLU 23 Ca 0.03 1.33 -0.06 0.00 -0.15 0.00 0.00 54.97 56.11 1yel s GLU 23 Cb -0.17 -3.88 -0.03 0.00 -0.44 0.00 0.00 34.13 29.61 1yel s GLU 23 CO 0.03 -1.10 0.04 0.42 0.95 0.00 0.00 175.26 175.60 1yel s ILE 24 N 4.37 4.26 0.56 1.83 1.01 -1.07 -5.02 121.20 127.14 1yel s ILE 24 Ca 0.58 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.81 1yel s ILE 24 Cb -0.18 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1yel s ILE 24 CO 0.23 0.39 1.26 -2.65 0.00 0.00 0.00 174.94 174.17 1yel n PRO 25 N 4.44 1.46 -0.36 2.79 -0.02 -1.26 -3.61 135.00 138.44 1yel n PRO 25 Ca -0.17 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1yel n PRO 25 Cb 0.52 -2.47 0.14 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.17 1.10 -1.89 2.45 6.46 -1.95 -1.53 115.31 121.12 1yel h LEU 26 Ca -0.50 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.26 1yel h LEU 26 Cb 1.32 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 1yel h LEU 26 CO 0.55 0.77 0.11 1.23 -0.62 0.00 0.00 178.44 180.48 1yel h GLY 27 N 1.28 0.17 1.74 3.75 0.00 -1.91 0.22 103.07 108.31 1yel h GLY 27 Ca 0.38 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.56 1yel h GLY 27 CO -0.11 0.06 -0.65 -2.75 0.00 0.00 0.00 176.54 173.09 1yel h PHE 28 N 0.15 0.00 0.00 5.60 3.57 -1.66 -2.43 116.94 122.18 1yel h PHE 28 Ca 0.06 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1yel h PHE 28 Cb 0.07 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.82 1yel h PHE 28 CO -0.00 0.42 -0.39 -0.97 -2.23 0.00 0.00 178.31 175.14 1yel h ASN 29 N 0.00 0.34 0.55 0.41 -1.24 -0.56 -3.17 115.58 111.91 1yel h ASN 29 Ca -0.03 -0.78 -0.00 0.00 0.71 0.00 0.00 56.30 56.19 1yel h ASN 29 Cb 1.35 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 40.30 1yel h ASN 29 CO 0.05 1.08 -0.00 -0.08 -1.29 0.00 0.00 177.43 177.19 1yel h GLU 30 N -0.36 0.00 0.00 6.67 4.81 -0.70 -1.90 114.58 123.10 1yel h GLU 30 Ca -0.05 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1yel h GLU 30 Cb 1.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1yel h GLU 30 CO 0.08 0.00 -0.29 -0.92 -0.73 0.00 0.00 179.01 177.14 1yel h TYR 31 N 0.00 0.00 -0.57 0.92 3.20 -1.40 -3.41 116.97 115.70 1yel h TYR 31 Ca -0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 1yel h TYR 31 Cb 0.28 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 38.35 1yel h TYR 31 CO 0.00 0.29 -0.12 -0.59 -1.64 0.00 0.00 178.16 176.10 1yel s PHE 32 N -3.98 -1.02 0.15 -3.82 -0.71 -0.72 -5.10 117.98 102.77 1yel s PHE 32 Ca -0.02 0.74 -0.30 0.00 -1.04 0.00 0.00 56.93 56.31 1yel s PHE 32 Cb 0.13 0.23 -0.07 0.00 -1.21 0.00 0.00 43.02 42.10 1yel s PHE 32 CO 0.67 -0.59 1.05 -2.14 -1.34 0.00 0.00 175.22 172.87 1yel s PRO 33 N 2.91 4.63 -0.04 1.99 0.02 -1.18 -4.81 135.00 138.51 1yel s PRO 33 Ca 0.16 1.62 -0.19 0.00 0.02 0.00 0.00 61.00 62.60 1yel s PRO 33 Cb -0.07 -3.32 0.04 0.00 0.02 0.00 0.00 34.50 31.16 1yel s PRO 33 CO -0.21 0.12 0.42 0.00 -0.33 0.00 0.00 177.00 177.00 1yel s ALA 34 N -0.10 -1.08 0.24 -1.55 0.00 -1.26 -5.13 121.76 112.88 1yel s ALA 34 Ca 0.49 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 1yel s ALA 34 Cb -0.27 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 1yel s ALA 34 CO 0.33 -0.28 1.51 -2.14 0.00 0.00 0.00 175.76 175.18 1yel s PRO 35 N -1.13 4.21 0.31 0.00 0.02 -1.26 -4.81 135.00 132.34 1yel s PRO 35 Ca -0.12 2.39 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 1yel s PRO 35 Cb -0.04 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.29 1yel s PRO 35 CO 0.05 -0.52 1.23 -0.59 -0.33 0.00 0.00 177.00 176.84 1yel s PHE 36 N 0.27 3.25 0.66 6.54 -0.12 -1.26 -4.99 117.98 122.33 1yel s PHE 36 Ca 0.63 1.52 -0.12 0.00 -0.05 0.00 0.00 56.93 58.91 1yel s PHE 36 Cb -0.44 -3.53 -0.01 0.00 -0.63 0.00 0.00 43.02 38.41 1yel s PHE 36 CO 0.42 -1.36 1.05 -1.25 -0.05 0.00 0.00 175.22 174.03 1yel s PRO 37 N -1.64 3.15 -0.08 1.99 0.04 -1.26 -4.97 135.00 132.22 1yel s PRO 37 Ca 0.47 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.32 1yel s PRO 37 Cb -0.37 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.01 1yel s PRO 37 CO 0.48 -0.93 0.62 0.82 0.04 0.00 0.00 177.00 178.03 1yel h ILE 38 N -0.35 0.85 -3.94 0.56 1.08 -1.95 -3.39 117.51 110.37 1yel h ILE 38 Ca -0.45 -1.38 -0.34 0.00 -0.39 0.00 0.00 64.86 62.30 1yel h ILE 38 Cb 1.21 1.51 -0.21 0.00 -3.07 0.00 0.00 36.82 36.26 1yel h ILE 38 CO 0.58 0.25 -0.75 0.42 -0.69 0.00 0.00 178.15 177.96 1yel s THR 39 N -2.66 0.82 0.12 -0.27 -4.23 -1.26 -3.78 115.64 104.39 1yel s THR 39 Ca -0.11 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1yel s THR 39 Cb -0.01 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1yel s THR 39 CO 0.40 -0.33 -0.11 0.68 -0.54 0.00 0.00 174.62 174.73 1yel s VAL 40 N -1.42 1.09 -0.07 2.29 -7.23 0.85 -4.96 120.40 110.94 1yel s VAL 40 Ca -0.05 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1yel s VAL 40 Cb -0.09 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1yel s VAL 40 CO 0.01 -0.62 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.31 1yel s ASP 41 N -2.75 4.72 -0.22 4.85 1.01 -1.12 -0.14 116.67 123.02 1yel s ASP 41 Ca 0.11 -0.01 -0.06 0.00 0.71 0.00 0.00 52.55 53.30 1yel s ASP 41 Cb -0.01 -1.23 -0.02 0.00 1.01 0.00 0.00 42.92 42.67 1yel s ASP 41 CO 0.01 0.36 0.02 -0.76 0.21 0.00 0.00 175.17 175.00 1yel s LEU 42 N -0.77 3.26 -0.13 1.23 1.43 0.14 -0.93 118.68 122.90 1yel s LEU 42 Ca 0.12 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1yel s LEU 42 Cb -0.11 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1yel s LEU 42 CO 0.02 0.01 0.11 -0.76 0.23 0.00 0.00 176.35 175.96 1yel s LEU 43 N 1.34 4.20 0.12 1.79 2.01 0.14 -0.90 118.68 127.37 1yel s LEU 43 Ca 0.04 0.36 0.07 0.00 0.01 0.00 0.00 54.13 54.61 1yel s LEU 43 Cb -0.15 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 43.99 1yel s LEU 43 CO 0.01 0.36 -0.07 -0.62 1.01 0.00 0.00 176.35 177.05 1yel s ASP 44 N -0.73 4.56 0.60 2.29 2.15 0.72 -0.25 116.67 126.01 1yel s ASP 44 Ca 0.13 -0.36 0.35 0.00 0.43 0.00 0.00 52.55 53.10 1yel s ASP 44 Cb -0.12 -0.92 1.95 0.00 -0.30 0.00 0.00 42.92 43.53 1yel s ASP 44 CO 0.03 0.16 2.25 0.22 -0.17 0.00 0.00 175.17 177.65 1yel h TYR 45 N 3.39 0.00 -0.03 -5.34 3.20 -1.85 0.10 116.97 116.44 1yel h TYR 45 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1yel h TYR 45 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1yel h TYR 45 CO 0.61 0.02 0.00 0.45 -1.64 0.00 0.00 178.16 177.60 1yel n SER 46 N -3.48 0.41 0.00 -2.11 2.88 -1.26 -4.85 113.62 105.21 1yel n SER 46 Ca -0.03 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 1yel n SER 46 Cb 0.12 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.92 0.74 3.89 0.46 0.00 0.36 -5.05 105.19 106.51 1yel n GLY 47 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1yel n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yel s ARG 48 N -0.47 3.70 -0.02 1.61 6.06 -1.22 -4.87 118.95 123.74 1yel s ARG 48 Ca 0.00 0.22 -0.01 0.00 -2.50 0.00 0.00 55.73 53.44 1yel s ARG 48 Cb 0.00 -2.52 0.01 0.00 0.06 0.00 0.00 34.95 32.50 1yel s ARG 48 CO 0.00 0.08 0.05 -1.54 -2.50 0.00 0.00 175.30 171.39 1yel s SER 49 N -3.21 -0.03 0.01 -2.12 1.04 -1.26 -0.20 113.70 107.93 1yel s SER 49 Ca 0.47 0.10 0.07 0.00 0.48 0.00 0.00 55.95 57.07 1yel s SER 49 Cb -0.10 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 1yel s SER 49 CO 0.31 -0.04 -0.21 0.26 0.98 0.00 0.00 173.24 174.54 1yel s TRP 50 N 0.26 1.84 -0.28 5.02 0.51 -0.08 -4.95 118.94 121.25 1yel s TRP 50 Ca -0.02 -0.36 -0.11 0.00 -2.12 0.00 0.00 56.10 53.49 1yel s TRP 50 Cb -0.03 -1.14 -0.05 0.00 -0.81 0.00 0.00 33.47 31.44 1yel s TRP 50 CO -0.01 0.02 0.18 0.99 -0.51 0.00 0.00 176.95 177.63 1yel s THR 51 N -0.62 5.28 0.21 2.01 2.01 -1.26 0.27 115.64 123.54 1yel s THR 51 Ca 0.08 0.16 0.10 0.00 0.31 0.00 0.00 61.69 62.34 1yel s THR 51 Cb -0.08 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1yel s THR 51 CO 0.00 0.26 -0.19 0.68 -0.69 0.00 0.00 174.62 174.69 1yel s VAL 52 N 1.70 2.05 -0.12 3.82 -7.23 0.80 -4.43 120.40 117.00 1yel s VAL 52 Ca 0.07 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.06 1yel s VAL 52 Cb -0.16 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1yel s VAL 52 CO 0.10 -0.36 0.12 -0.13 -0.31 0.00 0.00 175.10 174.51 1yel s ARG 53 N -3.13 3.37 -0.05 4.82 0.52 -0.83 -0.11 118.95 123.54 1yel s ARG 53 Ca 0.21 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 1yel s ARG 53 Cb -0.05 -3.13 0.02 0.00 0.52 0.00 0.00 34.95 32.32 1yel s ARG 53 CO 0.09 0.76 -0.04 1.41 0.02 0.00 0.00 175.30 177.54 1yel s MET 54 N -0.98 0.83 -0.14 3.54 -2.45 -1.25 -0.27 119.30 118.59 1yel s MET 54 Ca 0.15 -0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.53 1yel s MET 54 Cb -0.12 -0.91 0.01 0.00 1.25 0.00 0.00 34.83 35.06 1yel s MET 54 CO 0.04 -0.13 -0.21 0.15 1.05 0.00 0.00 175.02 175.91 1yel s LYS 55 N 1.16 2.91 -0.47 4.11 3.01 0.57 -4.26 119.74 126.78 1yel s LYS 55 Ca -0.07 -0.82 -0.15 0.00 -1.01 0.00 0.00 55.97 53.92 1yel s LYS 55 Cb -0.14 -2.37 0.07 0.00 -1.01 0.00 0.00 37.83 34.39 1yel s LYS 55 CO -0.01 -0.03 0.38 0.15 0.51 0.00 0.00 175.35 176.35 1yel s LYS 56 N 0.85 2.96 -0.20 1.68 -0.14 -1.26 -0.92 119.74 122.71 1yel s LYS 56 Ca -0.07 -1.34 -0.05 0.00 -1.36 0.00 0.00 55.97 53.16 1yel s LYS 56 Cb -0.15 -4.10 0.10 0.00 -1.68 0.00 0.00 37.83 31.99 1yel s LYS 56 CO -0.02 -1.01 0.35 0.50 -0.76 0.00 0.00 175.35 174.41 1yel s ARG 57 N 1.63 0.28 6.40 1.68 3.52 -0.97 -4.58 118.95 126.90 1yel s ARG 57 Ca 0.04 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 1yel s ARG 57 Cb -0.24 -0.19 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 1yel s ARG 57 CO 0.07 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1yel n GLY 58 N 5.37 1.94 0.08 8.12 0.00 -1.26 -3.33 105.19 116.11 1yel n GLY 58 Ca -0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 9.64 0.66 -4.60 1.61 1.02 -1.26 -4.99 120.64 122.71 1yel n GLU 59 Ca 0.00 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.94 1yel n GLU 59 Cb 0.00 -1.63 -0.11 0.00 -0.02 0.00 0.00 31.44 29.68 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 -2.72 1.93 -0.12 3.49 1.02 -1.21 -4.34 119.74 117.80 1yel s LYS 60 Ca -0.07 -2.10 0.03 0.00 0.02 0.00 0.00 55.97 53.85 1yel s LYS 60 Cb 0.08 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1yel s LYS 60 CO 0.83 -0.08 -0.22 0.08 -0.92 0.00 0.00 175.35 175.05 1yel s VAL 61 N -2.79 1.99 -0.11 3.17 1.01 -1.24 -2.29 120.40 120.14 1yel s VAL 61 Ca 0.34 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1yel s VAL 61 Cb 0.10 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1yel s VAL 61 CO 0.17 0.54 -0.23 0.12 0.00 0.00 0.00 175.10 175.70 1yel s PHE 62 N 0.62 2.59 -0.28 5.22 5.36 -0.10 -2.58 117.98 128.81 1yel s PHE 62 Ca -0.12 -1.09 -0.09 0.00 -0.96 0.00 0.00 56.93 54.67 1yel s PHE 62 Cb -0.17 -1.73 -0.02 0.00 -0.34 0.00 0.00 43.02 40.76 1yel s PHE 62 CO 0.03 -0.45 0.13 -1.17 -1.46 0.00 0.00 175.22 172.30 1yel s LEU 63 N 0.43 3.86 0.00 6.12 0.20 -0.89 -0.31 118.68 128.08 1yel s LEU 63 Ca -0.17 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.35 1yel s LEU 63 Cb -0.17 -2.00 0.00 0.00 -0.43 0.00 0.00 46.19 43.58 1yel s LEU 63 CO 0.07 -0.11 0.00 0.35 -0.29 0.00 0.00 176.35 176.37 1yel n THR 64 N 4.98 0.00 -1.64 3.68 -2.24 0.63 -0.61 114.28 119.08 1yel n THR 64 Ca -0.15 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1yel n THR 64 Cb 0.51 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1yel n THR 64 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1yel n VAL 65 N 0.00 2.83 0.00 2.28 0.24 -1.26 -2.69 118.33 119.73 1yel n VAL 65 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1yel n VAL 65 Cb 0.00 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.07 1yel n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yel n GLY 66 N 1.08 3.11 0.26 7.63 0.00 -1.26 -1.97 105.19 114.05 1yel n GLY 66 Ca 0.10 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.74 -1.11 115.95 117.63 1yel h TRP 67 Ca 0.00 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 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 0.08 -0.32 1.49 -1.03 0.00 0.00 178.44 178.66 1yel h GLU 68 N 0.00 0.00 -0.03 2.65 4.81 -1.81 -0.92 114.58 119.29 1yel h GLU 68 Ca -0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1yel h GLU 68 Cb 0.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1yel h GLU 68 CO 0.01 0.32 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.19 1yel h ASN 69 N 0.00 0.08 0.09 1.04 4.21 -1.58 -0.31 115.58 119.11 1yel h ASN 69 Ca -0.00 -0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 1yel h ASN 69 Cb 0.71 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 1yel h ASN 69 CO 0.04 0.58 -0.04 0.15 -1.29 0.00 0.00 177.43 176.87 1yel h PHE 70 N 0.06 -0.11 -0.63 1.19 3.04 -1.29 0.74 116.94 119.95 1yel h PHE 70 Ca -0.00 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1yel h PHE 70 Cb 0.92 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.44 1yel h PHE 70 CO 0.01 0.42 0.15 -0.24 -2.02 0.00 0.00 178.31 176.63 1yel h VAL 71 N -0.77 1.25 -0.06 1.41 3.04 -1.15 -1.23 116.25 118.74 1yel h VAL 71 Ca -0.01 -0.93 -0.03 0.00 -1.01 0.00 0.00 66.70 64.71 1yel h VAL 71 Cb 0.58 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1yel h VAL 71 CO 0.02 0.35 -0.09 0.50 -1.01 0.00 0.00 177.57 177.34 1yel h LYS 72 N 0.93 0.17 -0.25 4.17 1.63 -1.12 -0.81 116.57 121.28 1yel h LYS 72 Ca 0.20 -0.10 -0.19 0.00 -0.85 0.00 0.00 60.65 59.71 1yel h LYS 72 Cb 0.36 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1yel h LYS 72 CO 0.00 0.65 -0.59 0.22 -3.45 0.00 0.00 179.45 176.29 1yel h ASP 73 N -0.30 0.95 1.09 4.20 1.82 -0.73 -3.08 116.42 120.37 1yel h ASP 73 Ca 0.01 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 1yel h ASP 73 Cb 0.63 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1yel h ASP 73 CO 0.02 1.33 -0.82 -1.13 -1.61 0.00 0.00 179.24 177.03 1yel h ASN 74 N 0.60 0.00 -5.34 2.28 -0.73 -1.35 -3.49 115.58 107.55 1yel h ASN 74 Ca -0.00 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1yel h ASN 74 Cb 1.20 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.76 1yel h ASN 74 CO 0.13 0.02 -1.08 -3.20 -0.37 0.00 0.00 177.43 172.93 1yel n ASN 75 N -2.62 -6.31 -3.78 1.15 4.05 -0.32 -5.05 115.26 102.38 1yel n ASN 75 Ca 0.01 1.26 -0.14 0.00 0.45 0.00 0.00 54.58 56.16 1yel n ASN 75 Cb 0.53 -4.64 -0.15 0.00 1.23 0.00 0.00 39.78 36.75 1yel n ASN 75 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1yel s LEU 76 N -1.29 1.04 0.38 1.20 0.05 -1.15 -5.05 118.68 113.87 1yel s LEU 76 Ca -0.06 0.19 0.04 0.00 0.05 0.00 0.00 54.13 54.35 1yel s LEU 76 Cb 0.00 0.20 -0.05 0.00 -2.05 0.00 0.00 46.19 44.30 1yel s LEU 76 CO 0.64 -0.12 0.07 -1.83 -0.55 0.00 0.00 176.35 174.56 1yel s GLU 77 N 0.91 1.84 0.24 1.48 1.03 -1.26 -4.94 118.70 117.99 1yel s GLU 77 Ca -0.07 -2.08 -0.31 0.00 0.03 0.00 0.00 54.97 52.54 1yel s GLU 77 Cb -0.10 -0.95 -0.14 0.00 -0.80 0.00 0.00 34.13 32.14 1yel s GLU 77 CO -0.04 -0.28 1.28 -3.47 -1.33 0.00 0.00 175.26 171.42 1yel n ASP 78 N -0.97 2.23 0.00 0.83 2.03 -1.26 -3.37 116.55 116.03 1yel n ASP 78 Ca -0.06 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1yel n ASP 78 Cb 0.66 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1yel n ASP 78 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yel n GLY 79 N 1.85 1.20 3.72 0.27 0.00 -1.26 -5.00 105.19 105.97 1yel n GLY 79 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 2.66 0.07 1.61 1.02 -1.22 -4.33 119.74 119.56 1yel s LYS 80 Ca 0.00 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.27 1yel s LYS 80 Cb 0.00 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1yel s LYS 80 CO 0.00 0.54 -0.24 -0.47 -0.92 0.00 0.00 175.35 174.26 1yel s TYR 81 N -1.38 2.07 -0.10 3.18 5.04 0.78 -4.56 117.35 122.38 1yel s TYR 81 Ca 0.27 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.50 1yel s TYR 81 Cb -0.12 -1.19 -0.03 0.00 0.35 0.00 0.00 41.96 40.97 1yel s TYR 81 CO 0.20 0.17 -0.07 -0.51 -1.34 0.00 0.00 175.55 174.00 1yel s LEU 82 N -1.50 3.11 -0.15 6.97 1.43 -1.26 -2.32 118.68 124.95 1yel s LEU 82 Ca 0.10 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1yel s LEU 82 Cb -0.10 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1yel s LEU 82 CO 0.03 0.28 -0.18 -1.58 0.23 0.00 0.00 176.35 175.13 1yel s GLN 83 N -0.33 3.12 -0.25 1.70 0.74 -0.57 -3.38 119.66 120.69 1yel s GLN 83 Ca 0.05 -0.80 -0.05 0.00 0.05 0.00 0.00 55.36 54.61 1yel s GLN 83 Cb -0.13 -2.56 -0.00 0.00 1.10 0.00 0.00 33.01 31.42 1yel s GLN 83 CO 0.02 -0.03 -0.00 -0.06 -0.55 0.00 0.00 175.29 174.67 1yel s PHE 84 N 0.90 3.04 -0.17 1.67 0.08 0.81 -0.27 117.98 124.04 1yel s PHE 84 Ca -0.04 -0.99 -0.06 0.00 0.12 0.00 0.00 56.93 55.96 1yel s PHE 84 Cb -0.15 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1yel s PHE 84 CO -0.02 -0.56 0.03 0.96 -0.10 0.00 0.00 175.22 175.52 1yel s ILE 85 N 1.48 4.51 -0.02 0.64 -4.36 0.10 -0.42 121.20 123.12 1yel s ILE 85 Ca 0.04 -0.13 -0.00 0.00 -0.26 0.00 0.00 60.65 60.30 1yel s ILE 85 Cb -0.15 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.50 1yel s ILE 85 CO -0.01 0.47 0.03 -0.31 0.24 0.00 0.00 174.94 175.36 1yel s TYR 86 N 0.33 3.17 -2.51 1.37 2.02 -0.47 -1.42 117.35 119.84 1yel s TYR 86 Ca 0.01 0.15 0.27 0.00 -0.37 0.00 0.00 57.07 57.13 1yel s TYR 86 Cb -0.13 -1.72 0.79 0.00 -0.40 0.00 0.00 41.96 40.50 1yel s TYR 86 CO 0.01 0.50 1.59 -3.47 -1.57 0.00 0.00 175.55 172.61 1yel n ASP 87 N 1.51 1.79 0.00 2.29 2.03 -1.24 -4.10 116.55 118.84 1yel n ASP 87 Ca -0.15 -1.54 0.00 0.00 0.52 0.00 0.00 54.79 53.62 1yel n ASP 87 Cb 0.53 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1yel n ASP 87 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1yel n ARG 88 N 0.33 -0.42 0.00 -0.67 3.00 -1.26 -4.83 116.66 112.81 1yel n ARG 88 Ca 0.17 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 1yel n ARG 88 Cb 0.41 -3.42 0.00 0.00 0.00 0.00 0.00 32.46 29.45 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 -0.21 0.57 -1.19 6.15 2.03 -1.26 -4.99 116.55 117.66 1yel n ASP 89 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1yel n ASP 89 Cb 0.11 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.78 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 2.70 -3.79 -0.67 0.63 -1.26 -4.77 116.66 109.49 1yel n ARG 90 Ca 0.00 -2.19 -0.36 0.00 -0.92 0.00 0.00 57.85 54.38 1yel n ARG 90 Cb 0.00 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.20 1yel n ARG 90 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1yel s THR 91 N -1.45 3.95 -0.19 5.15 -4.23 -1.26 -2.77 115.64 114.84 1yel s THR 91 Ca 0.40 -0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1yel s THR 91 Cb 0.23 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 1yel s THR 91 CO 0.24 0.25 0.01 -0.36 -0.54 0.00 0.00 174.62 174.22 1yel s PHE 92 N 1.54 3.08 -0.20 3.99 0.40 -0.11 -3.65 117.98 123.02 1yel s PHE 92 Ca 0.05 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1yel s PHE 92 Cb -0.16 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1yel s PHE 92 CO 0.02 -0.12 0.07 0.71 0.70 0.00 0.00 175.22 176.59 1yel s TYR 93 N 0.79 3.20 -0.06 0.36 1.51 -0.51 0.25 117.35 122.90 1yel s TYR 93 Ca 0.01 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.07 1yel s TYR 93 Cb -0.14 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 1yel s TYR 93 CO 0.02 0.01 -0.24 0.54 -1.11 0.00 0.00 175.55 174.77 1yel s VAL 94 N 0.75 2.17 -0.18 0.71 0.11 0.65 0.01 120.40 124.62 1yel s VAL 94 Ca 0.04 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1yel s VAL 94 Cb -0.13 -1.79 -0.00 0.00 -1.53 0.00 0.00 36.38 32.92 1yel s VAL 94 CO 0.02 0.57 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.63 1yel s ILE 95 N -0.23 2.97 -0.35 7.04 1.01 0.63 -3.49 121.20 128.77 1yel s ILE 95 Ca -0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 1yel s ILE 95 Cb -0.13 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1yel s ILE 95 CO 0.03 0.48 0.20 -0.63 0.00 0.00 0.00 174.94 175.02 1yel s ILE 96 N 1.10 4.72 0.31 2.92 1.01 -1.26 -1.52 121.20 128.47 1yel s ILE 96 Ca 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.09 1yel s ILE 96 Cb -0.15 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 1yel s ILE 96 CO -0.03 -0.11 0.00 -0.72 0.00 0.00 0.00 174.94 174.09 1yel s TYR 97 N 1.60 1.98 0.00 3.97 -0.85 -0.98 -4.82 117.35 118.26 1yel s TYR 97 Ca 0.04 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.76 1yel s TYR 97 Cb -0.18 -1.24 0.00 0.00 0.38 0.00 0.00 41.96 40.92 1yel s TYR 97 CO 0.07 0.15 0.00 0.41 -1.52 0.00 0.00 175.55 174.67 1yel n GLY 98 N -0.65 3.47 5.13 5.49 0.00 -1.26 -0.16 105.19 117.21 1yel n GLY 98 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1yel n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yel n HIS 99 N 0.00 0.00 -2.84 1.61 8.25 -1.26 -3.47 115.22 117.51 1yel n HIS 99 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1yel n HIS 99 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1yel n HIS 99 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1yel s ASN 100 N -1.95 -0.77 -0.25 0.41 2.47 -1.26 -5.01 114.94 108.57 1yel s ASN 100 Ca 0.00 -0.62 0.01 0.00 0.42 0.00 0.00 52.86 52.67 1yel s ASN 100 Cb 0.00 1.00 -0.18 0.00 -1.45 0.00 0.00 41.25 40.62 1yel s ASN 100 CO 0.00 -0.06 -0.19 0.80 -3.72 0.00 0.00 177.10 173.93 1yel n MET 101 N 3.43 0.66 0.00 0.43 0.00 -1.23 -5.18 117.12 115.23 1yel n MET 101 Ca 0.10 0.16 0.00 0.00 -0.00 0.00 0.00 57.70 57.97 1yel n MET 101 Cb 0.61 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 32.30 1yel n MET 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97