#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yel h ALA 2 N 0.00 1.00 -1.61 -5.12 0.00 -2.09 -3.44 119.26 108.00 1yel h ALA 2 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1yel h ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1yel h ALA 2 CO 0.00 0.00 -0.38 0.34 0.00 0.00 0.00 179.25 179.21 1yel s ASP 3 N -4.92 5.24 0.22 0.00 2.15 -1.26 -5.02 116.67 113.07 1yel s ASP 3 Ca 0.07 -0.61 0.11 0.00 0.43 0.00 0.00 52.55 52.55 1yel s ASP 3 Cb 0.10 -0.72 0.08 0.00 -0.30 0.00 0.00 42.92 42.08 1yel s ASP 3 CO 0.55 -0.58 1.45 0.74 -0.17 0.00 0.00 175.17 177.16 1yel h THR 4 N 1.03 1.39 0.00 1.71 2.02 -2.05 -3.46 112.91 113.55 1yel h THR 4 Ca -0.42 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.10 1yel h THR 4 Cb 1.26 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1yel h THR 4 CO 0.56 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.78 1yel n GLY 5 N 0.93 1.33 3.66 2.16 0.00 -1.26 -5.11 105.19 106.89 1yel n GLY 5 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 4.22 -0.01 1.61 2.12 -1.26 -4.80 118.70 120.58 1yel s GLU 6 Ca 0.00 1.57 0.04 0.00 0.36 0.00 0.00 54.97 56.94 1yel s GLU 6 Cb 0.00 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1yel s GLU 6 CO 0.00 -0.71 -0.13 0.14 -0.54 0.00 0.00 175.26 174.02 1yel s VAL 7 N 3.48 1.00 0.13 3.70 -7.23 -1.24 -5.07 120.40 115.18 1yel s VAL 7 Ca 0.52 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 1yel s VAL 7 Cb -0.20 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1yel s VAL 7 CO 0.13 0.28 0.01 0.00 -0.31 0.00 0.00 175.10 175.22 1yel s GLN 8 N -0.29 0.94 -0.03 4.82 -2.07 -1.26 -0.36 119.66 121.42 1yel s GLN 8 Ca 0.05 -1.43 -0.18 0.00 -1.82 0.00 0.00 55.36 51.98 1yel s GLN 8 Cb -0.05 0.00 0.03 0.00 -1.09 0.00 0.00 33.01 31.90 1yel s GLN 8 CO -0.00 -0.17 0.38 -0.59 -1.32 0.00 0.00 175.29 173.59 1yel s PHE 9 N -3.84 -0.27 0.01 9.60 -0.71 0.49 -4.94 117.98 118.31 1yel s PHE 9 Ca 0.20 0.45 0.03 0.00 -1.04 0.00 0.00 56.93 56.58 1yel s PHE 9 Cb 0.07 0.15 -0.01 0.00 -1.21 0.00 0.00 43.02 42.02 1yel s PHE 9 CO 0.00 -0.42 -0.11 0.00 -1.34 0.00 0.00 175.22 173.35 1yel s MET 10 N -1.24 0.82 0.12 1.99 0.23 -1.26 0.23 119.30 120.19 1yel s MET 10 Ca -0.13 -0.50 -0.15 0.00 -1.03 0.00 0.00 55.69 53.88 1yel s MET 10 Cb -0.04 -0.78 0.03 0.00 -1.53 0.00 0.00 34.83 32.51 1yel s MET 10 CO 0.05 0.21 0.38 -1.59 -2.03 0.00 0.00 175.02 172.04 1yel s LYS 11 N -0.58 1.04 0.55 3.16 -2.85 -1.21 -5.04 119.74 114.81 1yel s LYS 11 Ca 0.02 -0.71 -0.21 0.00 -1.00 0.00 0.00 55.97 54.07 1yel s LYS 11 Cb -0.05 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.12 1yel s LYS 11 CO 0.00 -0.40 1.35 -1.25 0.10 0.00 0.00 175.35 175.16 1yel s PRO 12 N -3.73 3.11 -0.12 1.78 0.04 -1.26 -4.22 135.00 130.60 1yel s PRO 12 Ca 0.03 2.22 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1yel s PRO 12 Cb 0.02 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1yel s PRO 12 CO -0.11 -1.21 0.04 0.12 0.04 0.00 0.00 177.00 175.87 1yel s PHE 13 N -1.31 3.25 -0.13 0.56 2.19 -1.26 -4.98 117.98 116.30 1yel s PHE 13 Ca 0.72 0.18 0.02 0.00 0.33 0.00 0.00 56.93 58.18 1yel s PHE 13 Cb -0.40 -1.90 0.01 0.00 -1.31 0.00 0.00 43.02 39.42 1yel s PHE 13 CO 0.47 0.39 -0.19 -1.50 1.83 0.00 0.00 175.22 176.23 1yel s ILE 14 N -0.49 1.80 0.57 3.12 1.10 -1.26 -4.34 121.20 121.70 1yel s ILE 14 Ca 0.09 -0.82 0.42 0.00 -0.51 0.00 0.00 60.65 59.83 1yel s ILE 14 Cb -0.12 -1.61 0.43 0.00 0.15 0.00 0.00 42.46 41.31 1yel s ILE 14 CO 0.02 0.50 2.31 0.28 -2.11 0.00 0.00 174.94 175.94 1yel h SER 15 N 7.39 0.00 0.14 4.50 0.02 -1.91 0.39 113.55 124.07 1yel h SER 15 Ca -0.32 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.44 1yel h SER 15 Cb 1.18 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.74 1yel h SER 15 CO 0.53 0.00 -0.82 -0.08 -1.14 0.00 0.00 176.83 175.32 1yel h GLU 16 N 0.00 0.32 0.05 3.45 4.81 -1.99 -3.25 114.58 117.97 1yel h GLU 16 Ca -0.00 -0.52 -0.38 0.00 -0.13 0.00 0.00 59.36 58.33 1yel h GLU 16 Cb 0.09 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1yel h GLU 16 CO 0.00 1.24 -2.27 1.63 -0.73 0.00 0.00 179.01 178.88 1yel n LYS 17 N -4.12 0.69 0.00 1.92 4.01 -0.95 -4.21 118.16 115.51 1yel n LYS 17 Ca -0.14 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1yel n LYS 17 Cb 0.82 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 1yel n LYS 17 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1yel n SER 18 N -3.37 0.01 0.19 4.39 7.64 0.13 -1.43 113.62 121.19 1yel n SER 18 Ca -0.40 -1.71 0.05 0.00 1.01 0.00 0.00 58.87 57.82 1yel n SER 18 Cb 1.01 -0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.58 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 -1.68 -3.39 113.55 115.78 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 0.37 -0.20 2.29 -0.53 0.00 0.00 176.83 178.76 1yel n LYS 20 N -3.70 1.04 -3.96 2.24 0.00 -0.73 -4.71 118.16 108.35 1yel n LYS 20 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.21 1yel n LYS 20 Cb 0.46 -0.60 -0.10 0.00 -0.00 0.00 0.00 35.03 34.79 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 -1.34 0.22 -0.16 -5.58 1.04 -0.51 -3.53 113.70 103.84 1yel s SER 21 Ca 0.00 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.68 1yel s SER 21 Cb 0.00 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1yel s SER 21 CO 0.00 -0.45 0.59 -0.76 0.98 0.00 0.00 173.24 173.60 1yel s LEU 22 N -1.97 4.20 -0.45 2.42 1.43 0.83 -2.67 118.68 122.47 1yel s LEU 22 Ca -0.07 0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 53.71 1yel s LEU 22 Cb -0.03 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.36 1yel s LEU 22 CO -0.04 -0.17 0.57 -0.70 0.23 0.00 0.00 176.35 176.24 1yel s GLU 23 N 1.39 3.18 -0.25 1.70 -6.30 -1.26 -1.62 118.70 115.54 1yel s GLU 23 Ca 0.29 -0.62 -0.07 0.00 -2.50 0.00 0.00 54.97 52.07 1yel s GLU 23 Cb -0.16 -3.99 -0.03 0.00 0.00 0.00 0.00 34.13 29.95 1yel s GLU 23 CO 0.12 -1.01 0.06 0.42 0.02 0.00 0.00 175.26 174.87 1yel s ILE 24 N 2.55 4.27 0.85 -3.70 1.01 -0.85 -5.05 121.20 120.28 1yel s ILE 24 Ca 0.17 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1yel s ILE 24 Cb -0.16 -2.99 0.11 0.00 0.01 0.00 0.00 42.46 39.42 1yel s ILE 24 CO 0.16 0.35 1.17 -2.84 0.00 0.00 0.00 174.94 173.77 1yel s PRO 25 N 1.58 1.41 0.31 2.79 0.02 -1.26 -3.18 135.00 136.67 1yel s PRO 25 Ca 0.06 1.60 0.05 0.00 0.02 0.00 0.00 61.00 62.73 1yel s PRO 25 Cb -0.15 -1.77 0.67 0.00 0.02 0.00 0.00 34.50 33.28 1yel s PRO 25 CO 0.03 -2.35 1.83 1.25 -0.33 0.00 0.00 177.00 177.43 1yel h LEU 26 N -1.37 0.82 -1.32 -5.54 5.85 -1.98 -1.61 115.31 110.17 1yel h LEU 26 Ca -0.44 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1yel h LEU 26 Cb 1.28 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1yel h LEU 26 CO 0.44 0.40 0.50 1.23 -0.34 0.00 0.00 178.44 180.68 1yel h GLY 27 N 0.86 1.05 1.15 3.75 0.00 -1.92 0.35 103.07 108.32 1yel h GLY 27 Ca 0.50 -0.33 -0.25 0.00 0.00 0.00 0.00 47.33 47.25 1yel h GLY 27 CO -0.27 0.24 -1.53 -2.75 0.00 0.00 0.00 176.54 172.23 1yel h PHE 28 N 0.82 0.00 -0.41 5.60 3.57 -1.76 -2.87 116.94 121.89 1yel h PHE 28 Ca 0.33 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 1yel h PHE 28 Cb 0.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1yel h PHE 28 CO -0.00 0.92 0.24 -0.97 -2.23 0.00 0.00 178.31 176.27 1yel h ASN 29 N 0.00 0.50 0.91 0.41 -1.24 -0.51 -2.07 115.58 113.58 1yel h ASN 29 Ca -0.22 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.71 1yel h ASN 29 Cb 1.89 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 40.81 1yel h ASN 29 CO 0.08 0.42 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.48 1yel h GLU 30 N 0.54 0.00 0.00 6.67 4.81 -0.42 -2.91 114.58 123.28 1yel h GLU 30 Ca 0.15 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1yel h GLU 30 Cb 0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1yel h GLU 30 CO -0.03 0.08 -0.32 -0.92 -0.73 0.00 0.00 179.01 177.09 1yel h TYR 31 N 0.00 0.00 -1.79 0.92 3.20 -1.13 -3.37 116.97 114.80 1yel h TYR 31 Ca -0.00 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.50 1yel h TYR 31 Cb 0.55 0.00 -0.29 0.00 1.54 0.00 0.00 36.73 38.54 1yel h TYR 31 CO 0.00 0.32 -0.72 -0.59 -1.64 0.00 0.00 178.16 175.53 1yel s PHE 32 N -4.07 -0.27 0.02 -3.82 -0.71 -1.10 -5.10 117.98 102.94 1yel s PHE 32 Ca -0.02 -1.19 -0.23 0.00 -1.04 0.00 0.00 56.93 54.45 1yel s PHE 32 Cb 0.13 -0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 1yel s PHE 32 CO 0.69 -1.02 0.69 -2.14 -1.34 0.00 0.00 175.22 172.10 1yel s PRO 33 N 0.86 4.42 0.14 1.99 0.02 -1.23 -4.93 135.00 136.26 1yel s PRO 33 Ca 0.25 0.91 -0.16 0.00 0.02 0.00 0.00 61.00 62.03 1yel s PRO 33 Cb -0.05 -3.36 0.03 0.00 0.02 0.00 0.00 34.50 31.14 1yel s PRO 33 CO -0.09 0.30 0.41 0.00 -0.33 0.00 0.00 177.00 177.29 1yel s ALA 34 N -0.04 -0.86 0.34 -1.55 0.00 -1.26 -5.13 121.76 113.26 1yel s ALA 34 Ca 0.35 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 1yel s ALA 34 Cb -0.19 0.73 -0.12 0.00 0.00 0.00 0.00 23.12 23.53 1yel s ALA 34 CO 0.20 -0.67 1.26 -2.30 0.00 0.00 0.00 175.76 174.25 1yel n PRO 35 N -0.24 2.04 -2.14 0.00 -0.02 -1.26 -4.85 135.00 128.53 1yel n PRO 35 Ca -0.14 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1yel n PRO 35 Cb 0.63 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1yel n PRO 35 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1yel s PHE 36 N -1.10 2.64 0.54 6.00 -0.12 -1.26 -5.00 117.98 119.67 1yel s PHE 36 Ca 0.56 0.63 -0.07 0.00 -0.05 0.00 0.00 56.93 58.00 1yel s PHE 36 Cb -0.58 -3.76 -0.03 0.00 -0.63 0.00 0.00 43.02 38.02 1yel s PHE 36 CO 0.62 -2.92 0.88 -1.25 -0.05 0.00 0.00 175.22 172.50 1yel s PRO 37 N 2.72 3.49 -0.21 1.99 0.04 -1.26 -5.00 135.00 136.78 1yel s PRO 37 Ca 0.67 0.35 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 1yel s PRO 37 Cb -0.33 -2.27 -0.19 0.00 0.04 0.00 0.00 34.50 31.75 1yel s PRO 37 CO 0.28 -0.38 0.09 -0.89 0.04 0.00 0.00 177.00 176.14 1yel n ILE 38 N -2.45 1.59 -4.23 0.56 -0.00 -1.26 -4.48 119.36 109.09 1yel n ILE 38 Ca 0.03 -0.30 -0.20 0.00 -0.00 0.00 0.00 62.75 62.28 1yel n ILE 38 Cb 0.55 -1.88 -0.12 0.00 -0.00 0.00 0.00 39.64 38.19 1yel n ILE 38 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1yel s THR 39 N -2.45 1.35 0.13 1.39 2.01 -1.26 -0.78 115.64 116.04 1yel s THR 39 Ca -0.30 -1.53 -0.08 0.00 0.31 0.00 0.00 61.69 60.08 1yel s THR 39 Cb 0.08 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1yel s THR 39 CO 0.61 -0.26 0.24 0.68 -0.69 0.00 0.00 174.62 175.20 1yel s VAL 40 N -1.59 0.10 0.02 3.82 -7.23 0.81 -4.84 120.40 111.49 1yel s VAL 40 Ca 0.05 -1.33 0.08 0.00 -1.81 0.00 0.00 61.98 58.96 1yel s VAL 40 Cb -0.08 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1yel s VAL 40 CO 0.03 -0.44 -0.24 -1.81 -0.31 0.00 0.00 175.10 172.33 1yel s ASP 41 N -2.93 3.32 -0.23 4.85 1.11 -0.62 -0.32 116.67 121.84 1yel s ASP 41 Ca 0.13 -0.51 -0.05 0.00 0.18 0.00 0.00 52.55 52.30 1yel s ASP 41 Cb 0.04 -0.40 -0.02 0.00 1.07 0.00 0.00 42.92 43.62 1yel s ASP 41 CO -0.04 0.28 0.00 -0.76 1.18 0.00 0.00 175.17 175.83 1yel s LEU 42 N -1.11 3.15 -0.06 1.23 1.43 0.79 -1.02 118.68 123.09 1yel s LEU 42 Ca 0.12 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1yel s LEU 42 Cb -0.10 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1yel s LEU 42 CO 0.02 -0.01 -0.11 -0.76 0.23 0.00 0.00 176.35 175.72 1yel s LEU 43 N 1.43 2.93 0.21 1.79 2.01 0.18 -0.47 118.68 126.75 1yel s LEU 43 Ca 0.05 -0.12 0.11 0.00 0.01 0.00 0.00 54.13 54.18 1yel s LEU 43 Cb -0.15 -1.62 -0.05 0.00 0.01 0.00 0.00 46.19 44.39 1yel s LEU 43 CO 0.00 0.35 -0.22 -0.62 1.01 0.00 0.00 176.35 176.87 1yel s ASP 44 N -0.72 3.35 0.10 2.29 2.15 -0.07 -1.80 116.67 121.97 1yel s ASP 44 Ca 0.11 -0.91 0.27 0.00 0.43 0.00 0.00 52.55 52.45 1yel s ASP 44 Cb -0.11 -0.25 1.02 0.00 -0.30 0.00 0.00 42.92 43.28 1yel s ASP 44 CO 0.01 0.07 1.84 -1.22 -0.17 0.00 0.00 175.17 175.70 1yel n TYR 45 N 0.02 0.44 0.76 -5.34 4.02 -1.26 -2.97 117.16 112.82 1yel n TYR 45 Ca -0.11 0.13 0.08 0.00 -0.01 0.00 0.00 57.90 57.99 1yel n TYR 45 Cb 0.57 -0.71 0.22 0.00 -0.02 0.00 0.00 39.34 39.40 1yel n TYR 45 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1yel n SER 46 N -1.86 2.18 0.00 7.72 7.64 -1.26 -4.86 113.62 123.18 1yel n SER 46 Ca 0.06 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1yel n SER 46 Cb 0.37 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1yel n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yel n GLY 47 N 1.17 0.71 3.78 0.23 0.00 -1.16 -5.04 105.19 104.89 1yel n GLY 47 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.75 3.97 -0.17 1.61 1.81 -1.25 -4.91 118.95 119.27 1yel s ARG 48 Ca 0.00 1.56 -0.14 0.00 -1.72 0.00 0.00 55.73 55.43 1yel s ARG 48 Cb 0.00 -2.42 0.05 0.00 -0.45 0.00 0.00 34.95 32.13 1yel s ARG 48 CO 0.00 -0.32 0.43 -1.54 -0.68 0.00 0.00 175.30 173.20 1yel s SER 49 N -1.58 -0.47 -0.14 0.23 1.04 -1.26 -0.90 113.70 110.62 1yel s SER 49 Ca 0.61 0.89 -0.01 0.00 0.48 0.00 0.00 55.95 57.92 1yel s SER 49 Cb -0.23 0.87 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1yel s SER 49 CO 0.28 -0.16 -0.02 0.26 0.98 0.00 0.00 173.24 174.58 1yel s TRP 50 N 0.49 1.26 -0.36 5.02 0.51 0.38 -4.99 118.94 121.25 1yel s TRP 50 Ca -0.02 -0.76 -0.24 0.00 -2.12 0.00 0.00 56.10 52.96 1yel s TRP 50 Cb -0.04 -1.11 0.01 0.00 -0.81 0.00 0.00 33.47 31.52 1yel s TRP 50 CO -0.02 -0.53 0.84 0.99 -0.51 0.00 0.00 176.95 177.71 1yel s THR 51 N 1.78 4.69 0.16 2.01 2.01 -1.26 -0.15 115.64 124.88 1yel s THR 51 Ca 0.02 1.04 0.10 0.00 0.31 0.00 0.00 61.69 63.16 1yel s THR 51 Cb -0.15 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1yel s THR 51 CO -0.07 -0.45 -0.17 0.54 -0.69 0.00 0.00 174.62 173.79 1yel s VAL 52 N 3.22 2.83 -0.20 3.82 0.11 0.56 -4.20 120.40 126.54 1yel s VAL 52 Ca 0.34 -1.72 -0.09 0.00 -2.93 0.00 0.00 61.98 57.58 1yel s VAL 52 Cb -0.13 -2.35 -0.05 0.00 -1.53 0.00 0.00 36.38 32.32 1yel s VAL 52 CO 0.17 -0.04 0.12 -0.13 -3.33 0.00 0.00 175.10 171.88 1yel s ARG 53 N -2.55 4.11 -0.08 1.54 0.52 0.06 -0.13 118.95 122.41 1yel s ARG 53 Ca 0.21 -0.26 -0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1yel s ARG 53 Cb -0.09 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 1yel s ARG 53 CO 0.12 0.25 -0.06 1.41 0.02 0.00 0.00 175.30 177.04 1yel s MET 54 N 0.50 2.93 -0.07 3.54 -2.45 0.04 -0.09 119.30 123.70 1yel s MET 54 Ca 0.07 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 53.98 1yel s MET 54 Cb -0.12 -2.66 0.02 0.00 1.25 0.00 0.00 34.83 33.32 1yel s MET 54 CO -0.00 0.59 -0.08 0.15 1.05 0.00 0.00 175.02 176.72 1yel s LYS 55 N -0.60 1.35 -0.32 4.11 3.01 -0.06 -4.31 119.74 122.92 1yel s LYS 55 Ca 0.09 -0.26 -0.18 0.00 -1.01 0.00 0.00 55.97 54.61 1yel s LYS 55 Cb -0.12 -1.26 -0.01 0.00 -1.01 0.00 0.00 37.83 35.43 1yel s LYS 55 CO 0.02 -0.09 0.53 0.15 0.51 0.00 0.00 175.35 176.47 1yel s LYS 56 N 1.04 3.80 -0.26 1.68 -0.14 -1.26 -0.88 119.74 123.72 1yel s LYS 56 Ca -0.08 0.05 -0.03 0.00 -1.36 0.00 0.00 55.97 54.56 1yel s LYS 56 Cb -0.14 -3.75 0.11 0.00 -1.68 0.00 0.00 37.83 32.37 1yel s LYS 56 CO -0.00 -0.55 0.23 0.50 -0.76 0.00 0.00 175.35 174.77 1yel s ARG 57 N 2.41 0.24 5.21 1.68 3.52 -0.00 -4.86 118.95 127.16 1yel s ARG 57 Ca 0.20 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1yel s ARG 57 Cb -0.15 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.25 1yel s ARG 57 CO 0.12 -0.88 0.00 0.41 -0.81 0.00 0.00 175.30 174.14 1yel n GLY 58 N 5.30 1.08 0.09 8.12 0.00 -1.26 -1.83 105.19 116.70 1yel n GLY 58 Ca -0.04 0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 0.49 -4.27 1.61 1.02 -1.26 -4.97 120.64 113.26 1yel n GLU 59 Ca 0.00 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 1yel n GLU 59 Cb 0.00 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 29.57 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 -3.30 1.34 -0.14 3.49 1.02 -0.76 -3.62 119.74 117.77 1yel s LYS 60 Ca 0.01 -1.72 -0.01 0.00 0.02 0.00 0.00 55.97 54.28 1yel s LYS 60 Cb 0.11 -0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.39 1yel s LYS 60 CO 0.78 -0.35 -0.12 0.08 -0.92 0.00 0.00 175.35 174.82 1yel s VAL 61 N -3.92 3.14 -0.10 3.17 1.01 -1.19 -0.82 120.40 121.68 1yel s VAL 61 Ca 0.38 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1yel s VAL 61 Cb 0.07 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1yel s VAL 61 CO 0.13 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.18 1yel s PHE 62 N 0.43 2.62 -0.47 5.22 0.08 -0.06 -2.01 117.98 123.79 1yel s PHE 62 Ca -0.09 -0.91 -0.13 0.00 0.12 0.00 0.00 56.93 55.93 1yel s PHE 62 Cb -0.16 -1.74 0.10 0.00 -0.57 0.00 0.00 43.02 40.65 1yel s PHE 62 CO 0.05 -0.34 0.37 -0.51 -0.10 0.00 0.00 175.22 174.69 1yel s LEU 63 N 0.29 5.64 0.00 -0.37 1.43 -0.64 -0.88 118.68 124.16 1yel s LEU 63 Ca -0.15 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.36 1yel s LEU 63 Cb -0.17 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1yel s LEU 63 CO 0.08 -0.68 0.00 0.35 0.23 0.00 0.00 176.35 176.33 1yel n THR 64 N 5.08 0.00 -1.72 5.49 -2.24 0.86 -0.12 114.28 121.64 1yel n THR 64 Ca -0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1yel n THR 64 Cb 0.42 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.00 1.94 0.00 2.28 3.14 -1.26 -2.12 118.33 122.30 1yel n VAL 65 Ca 0.00 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1yel n VAL 65 Cb 0.00 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.11 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 0.78 3.18 0.20 7.55 0.00 -1.26 -0.76 105.19 114.89 1yel n GLY 66 Ca 0.04 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.64 -2.27 115.95 116.56 1yel h TRP 67 Ca 0.00 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 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 0.32 -0.26 1.05 -1.03 0.00 0.00 178.44 178.52 1yel h GLU 68 N 0.00 0.00 -0.06 2.65 -0.00 -1.73 0.98 114.58 116.41 1yel h GLU 68 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.21 1yel h GLU 68 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.38 1yel h GLU 68 CO 0.04 0.26 -0.62 -0.91 -0.00 0.00 0.00 179.01 177.78 1yel h ASN 69 N 0.00 0.27 0.08 3.06 2.35 -1.78 -2.53 115.58 117.03 1yel h ASN 69 Ca -0.00 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1yel h ASN 69 Cb 0.61 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1yel h ASN 69 CO 0.03 0.82 -0.04 0.15 -1.65 0.00 0.00 177.43 176.75 1yel h PHE 70 N 0.17 -0.10 -0.96 1.19 3.04 -1.00 0.38 116.94 119.66 1yel h PHE 70 Ca -0.01 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.96 1yel h PHE 70 Cb 1.14 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 39.63 1yel h PHE 70 CO 0.02 0.39 0.64 -0.24 -2.02 0.00 0.00 178.31 177.10 1yel h VAL 71 N -0.64 1.22 -0.04 1.41 3.04 -0.92 0.33 116.25 120.64 1yel h VAL 71 Ca -0.01 -0.44 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1yel h VAL 71 Cb 0.53 -0.17 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1yel h VAL 71 CO 0.02 0.23 -0.14 0.11 -1.01 0.00 0.00 177.57 176.79 1yel h LYS 72 N 1.28 0.17 -0.33 4.17 1.79 -1.47 -1.54 116.57 120.63 1yel h LYS 72 Ca 0.36 -0.12 -0.17 0.00 -2.18 0.00 0.00 60.65 58.54 1yel h LYS 72 Cb -0.10 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1yel h LYS 72 CO -0.09 0.75 -0.47 0.22 -1.08 0.00 0.00 179.45 178.78 1yel h ASP 73 N -0.38 0.97 0.84 0.86 3.58 0.33 -3.00 116.42 119.62 1yel h ASP 73 Ca -0.00 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1yel h ASP 73 Cb 0.76 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1yel h ASP 73 CO 0.03 1.27 -1.04 -3.20 -2.88 0.00 0.00 179.24 173.43 1yel n ASN 74 N -4.03 0.74 -2.95 2.28 4.05 0.11 -5.03 115.26 110.44 1yel n ASN 74 Ca -0.03 0.22 -0.01 0.00 0.45 0.00 0.00 54.58 55.20 1yel n ASN 74 Cb 0.59 0.57 0.00 0.00 1.23 0.00 0.00 39.78 42.17 1yel n ASN 74 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1yel n ASN 75 N -2.49 -7.36 -4.42 1.20 5.15 -0.59 -5.05 115.26 101.71 1yel n ASN 75 Ca 0.00 0.93 -0.20 0.00 -0.60 0.00 0.00 54.58 54.71 1yel n ASN 75 Cb 0.52 -3.66 -0.10 0.00 -0.53 0.00 0.00 39.78 36.01 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 -1.42 2.13 0.22 1.20 1.43 -1.16 -5.04 118.68 116.03 1yel s LEU 76 Ca 0.02 -1.35 -0.04 0.00 -1.03 0.00 0.00 54.13 51.73 1yel s LEU 76 Cb -0.00 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 1yel s LEU 76 CO 0.46 -0.60 0.24 -1.83 0.23 0.00 0.00 176.35 174.85 1yel s GLU 77 N -3.90 1.33 0.34 1.70 -1.05 -1.26 -4.99 118.70 110.87 1yel s GLU 77 Ca 0.35 -1.53 -0.29 0.00 -0.15 0.00 0.00 54.97 53.36 1yel s GLU 77 Cb 0.08 0.33 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 1yel s GLU 77 CO 0.14 -0.48 1.34 0.16 0.95 0.00 0.00 175.26 177.38 1yel s ASP 78 N -3.13 6.68 0.00 0.83 1.47 -1.26 -3.04 116.67 118.23 1yel s ASP 78 Ca 0.34 2.76 0.00 0.00 1.18 0.00 0.00 52.55 56.83 1yel s ASP 78 Cb 0.05 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 1yel s ASP 78 CO 0.12 -0.60 0.00 0.61 0.68 0.00 0.00 175.17 175.97 1yel n GLY 79 N 0.73 2.19 3.87 2.12 0.00 -1.26 -4.98 105.19 107.87 1yel n GLY 79 Ca 0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 3.77 0.21 1.61 1.02 -1.17 -4.80 119.74 120.38 1yel s LYS 80 Ca 0.00 0.18 0.09 0.00 0.02 0.00 0.00 55.97 56.26 1yel s LYS 80 Cb 0.00 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1yel s LYS 80 CO 0.00 0.47 -0.17 0.71 -0.92 0.00 0.00 175.35 175.44 1yel s TYR 81 N -1.56 1.90 -0.11 3.18 2.02 -1.24 -4.50 117.35 117.03 1yel s TYR 81 Ca 0.39 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 1yel s TYR 81 Cb -0.13 -0.88 -0.00 0.00 -0.40 0.00 0.00 41.96 40.55 1yel s TYR 81 CO 0.20 0.45 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.90 1yel s LEU 82 N -3.20 2.19 -0.18 -1.29 2.01 -1.26 -0.21 118.68 116.74 1yel s LEU 82 Ca 0.23 -0.53 -0.03 0.00 0.01 0.00 0.00 54.13 53.81 1yel s LEU 82 Cb -0.03 -1.45 -0.01 0.00 0.01 0.00 0.00 46.19 44.71 1yel s LEU 82 CO 0.09 0.15 -0.06 0.00 1.01 0.00 0.00 176.35 177.53 1yel s GLN 83 N 0.41 3.44 -0.16 1.70 -2.07 0.24 -3.30 119.66 119.92 1yel s GLN 83 Ca -0.16 -0.62 -0.05 0.00 -1.82 0.00 0.00 55.36 52.71 1yel s GLN 83 Cb -0.17 -2.89 -0.03 0.00 -1.09 0.00 0.00 33.01 28.82 1yel s GLN 83 CO 0.07 0.01 -0.00 -0.06 -1.32 0.00 0.00 175.29 173.99 1yel s PHE 84 N 0.94 3.11 -0.24 9.60 0.08 0.14 -0.81 117.98 130.79 1yel s PHE 84 Ca -0.01 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 56.77 1yel s PHE 84 Cb -0.15 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 1yel s PHE 84 CO 0.00 0.06 0.30 0.42 -0.10 0.00 0.00 175.22 175.91 1yel s ILE 85 N 0.29 5.25 -0.17 0.64 1.01 0.84 -0.38 121.20 128.68 1yel s ILE 85 Ca -0.01 0.46 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 1yel s ILE 85 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1yel s ILE 85 CO 0.02 0.25 0.01 -0.47 0.00 0.00 0.00 174.94 174.75 1yel s TYR 86 N 1.50 3.12 0.00 3.97 5.04 0.52 -0.38 117.35 131.12 1yel s TYR 86 Ca 0.13 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1yel s TYR 86 Cb -0.15 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1yel s TYR 86 CO 0.08 0.04 0.00 -3.47 -1.34 0.00 0.00 175.55 170.85 1yel n ASP 87 N 3.58 0.00 0.00 4.32 -0.08 -1.03 -3.65 116.55 119.69 1yel n ASP 87 Ca -0.17 -0.78 0.12 0.00 -1.51 0.00 0.00 54.79 52.45 1yel n ASP 87 Cb 0.52 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.16 1yel n ASP 87 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1yel n ARG 88 N -0.78 0.02 -0.27 -0.67 5.12 -1.26 -4.85 116.66 113.98 1yel n ARG 88 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1yel n ARG 88 Cb 0.00 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.79 1yel n ARG 88 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1yel n ASP 89 N -1.54 0.21 -2.05 0.55 8.00 -1.26 -5.00 116.55 115.47 1yel n ASP 89 Ca 0.05 -0.24 -0.23 0.00 0.71 0.00 0.00 54.79 55.08 1yel n ASP 89 Cb 0.34 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.53 1yel n ASP 89 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1yel n ARG 90 N -0.22 2.14 -3.92 -1.24 1.74 -1.26 -4.82 116.66 109.08 1yel n ARG 90 Ca 0.00 -2.38 -0.35 0.00 -0.77 0.00 0.00 57.85 54.35 1yel n ARG 90 Cb 0.00 -1.93 -0.14 0.00 -1.02 0.00 0.00 32.46 29.37 1yel n ARG 90 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1yel s THR 91 N -3.19 3.20 -0.15 0.55 -4.23 -1.26 -1.60 115.64 108.97 1yel s THR 91 Ca 0.46 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 1yel s THR 91 Cb 0.37 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1yel s THR 91 CO 0.03 0.30 0.03 -0.36 -0.54 0.00 0.00 174.62 174.07 1yel s PHE 92 N 1.42 3.19 -0.21 3.99 0.40 -0.19 -2.46 117.98 124.12 1yel s PHE 92 Ca 0.03 0.03 -0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1yel s PHE 92 Cb -0.15 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 1yel s PHE 92 CO -0.04 0.21 -0.00 0.71 0.70 0.00 0.00 175.22 176.80 1yel s TYR 93 N -0.02 3.02 -0.21 0.36 2.02 0.49 0.47 117.35 123.48 1yel s TYR 93 Ca 0.04 -0.59 -0.09 0.00 -0.37 0.00 0.00 57.07 56.07 1yel s TYR 93 Cb -0.13 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1yel s TYR 93 CO 0.02 -0.34 0.11 0.54 -1.57 0.00 0.00 175.55 174.30 1yel s VAL 94 N 1.21 5.01 -0.21 0.71 0.11 -0.74 -0.11 120.40 126.37 1yel s VAL 94 Ca 0.03 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1yel s VAL 94 Cb -0.15 -3.30 0.02 0.00 -1.53 0.00 0.00 36.38 31.42 1yel s VAL 94 CO 0.01 0.40 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.43 1yel s ILE 95 N 0.77 2.60 -0.01 7.04 -1.09 0.01 -4.73 121.20 125.78 1yel s ILE 95 Ca 0.06 -0.90 -0.15 0.00 -2.23 0.00 0.00 60.65 57.43 1yel s ILE 95 Cb -0.13 -2.21 -0.06 0.00 -1.58 0.00 0.00 42.46 38.49 1yel s ILE 95 CO 0.02 0.38 0.40 0.27 -1.23 0.00 0.00 174.94 174.79 1yel s ILE 96 N 1.33 5.05 -0.31 2.92 -4.36 -1.26 -0.59 121.20 123.98 1yel s ILE 96 Ca 0.03 0.83 -0.20 0.00 -0.26 0.00 0.00 60.65 61.05 1yel s ILE 96 Cb -0.15 -3.71 -0.01 0.00 1.25 0.00 0.00 42.46 39.84 1yel s ILE 96 CO -0.08 0.56 0.60 -0.31 0.24 0.00 0.00 174.94 175.95 1yel s TYR 97 N -0.92 3.21 -1.44 1.37 2.02 0.71 -4.95 117.35 117.35 1yel s TYR 97 Ca 0.23 0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 57.34 1yel s TYR 97 Cb -0.16 -2.96 -0.05 0.00 -0.40 0.00 0.00 41.96 38.38 1yel s TYR 97 CO 0.13 -0.47 2.57 0.41 -1.57 0.00 0.00 175.55 176.62 1yel n GLY 98 N 4.49 4.06 3.39 0.71 0.00 -1.26 -3.70 105.19 112.88 1yel n GLY 98 Ca -0.02 -1.43 -0.44 0.00 0.00 0.00 0.00 46.02 44.13 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 2.81 3.25 0.09 1.61 5.04 -1.26 -4.39 115.29 122.45 1yel s HIS 99 Ca 0.59 -0.92 0.00 0.00 -1.54 0.00 0.00 55.06 53.19 1yel s HIS 99 Cb 0.16 -3.05 0.00 0.00 0.04 0.00 0.00 32.58 29.73 1yel s HIS 99 CO -0.05 -0.76 0.00 -1.71 -2.34 0.00 0.00 174.74 169.87 1yel n ASN 100 N 5.17 -0.84 0.05 9.88 5.15 -1.26 -4.21 115.26 129.21 1yel n ASN 100 Ca -0.12 0.52 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1yel n ASN 100 Cb 0.44 1.13 0.00 0.00 -0.53 0.00 0.00 39.78 40.82 1yel n ASN 100 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 1yel n MET 101 N -2.98 0.00 0.00 1.20 0.00 -1.26 -5.21 117.12 108.87 1yel n MET 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1yel n MET 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1yel n MET 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97