#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yel n ALA 2 N 0.00 2.04 -2.30 3.04 0.00 -1.26 -3.07 120.51 118.96 1yel n ALA 2 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.71 1yel n ALA 2 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 16.87 1yel n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yel n ASP 3 N 5.77 -5.44 0.08 0.00 8.00 -1.26 -5.00 116.55 118.71 1yel n ASP 3 Ca 0.18 0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.71 1yel n ASP 3 Cb 0.37 -3.54 -0.15 0.00 -0.02 0.00 0.00 41.12 37.77 1yel n ASP 3 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1yel h THR 4 N 1.01 1.11 0.00 -3.53 2.02 -1.96 -3.50 112.91 108.06 1yel h THR 4 Ca 0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 1yel h THR 4 Cb 0.65 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 1yel h THR 4 CO 0.13 0.81 0.00 0.61 0.37 0.00 0.00 175.52 177.43 1yel n GLY 5 N 1.78 -0.63 2.41 2.16 0.00 -1.26 -4.79 105.19 104.86 1yel n GLY 5 Ca -0.22 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1yel n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yel n GLU 6 N 0.00 -1.67 -3.22 1.61 2.13 -0.76 -4.91 120.64 113.81 1yel n GLU 6 Ca 0.00 1.03 -0.38 0.00 0.66 0.00 0.00 57.16 58.46 1yel n GLU 6 Cb 0.00 -5.69 -0.06 0.00 0.27 0.00 0.00 31.44 25.96 1yel n GLU 6 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1yel s VAL 7 N -3.04 4.68 0.22 6.31 -7.23 -0.23 -4.74 120.40 116.36 1yel s VAL 7 Ca 0.00 1.27 0.09 0.00 -1.81 0.00 0.00 61.98 61.52 1yel s VAL 7 Cb 0.00 -3.92 -0.05 0.00 0.56 0.00 0.00 36.38 32.97 1yel s VAL 7 CO 0.00 0.50 -0.16 0.00 -0.31 0.00 0.00 175.10 175.13 1yel s GLN 8 N -1.24 1.39 -0.02 4.82 -2.07 -1.26 0.53 119.66 121.80 1yel s GLN 8 Ca 0.32 -1.61 -0.13 0.00 -1.82 0.00 0.00 55.36 52.11 1yel s GLN 8 Cb -0.20 -1.26 0.02 0.00 -1.09 0.00 0.00 33.01 30.49 1yel s GLN 8 CO 0.20 0.22 0.29 0.12 -1.32 0.00 0.00 175.29 174.80 1yel s PHE 9 N -2.81 -0.17 0.00 9.60 5.36 -0.97 -5.00 117.98 123.99 1yel s PHE 9 Ca 0.23 0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 1yel s PHE 9 Cb -0.02 0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.74 1yel s PHE 9 CO 0.08 -0.35 -0.03 0.00 -1.46 0.00 0.00 175.22 173.47 1yel s MET 10 N -1.16 0.20 0.09 10.12 0.23 -1.26 -1.73 119.30 125.79 1yel s MET 10 Ca -0.12 -0.14 -0.20 0.00 -1.03 0.00 0.00 55.69 54.20 1yel s MET 10 Cb -0.05 -0.16 0.05 0.00 -1.53 0.00 0.00 34.83 33.13 1yel s MET 10 CO 0.03 0.04 0.48 -1.59 -2.03 0.00 0.00 175.02 171.96 1yel s LYS 11 N -0.20 1.06 0.11 3.16 0.00 -1.01 -4.99 119.74 117.87 1yel s LYS 11 Ca -0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 55.97 55.24 1yel s LYS 11 Cb -0.02 0.48 -0.06 0.00 0.00 0.00 0.00 37.83 38.23 1yel s LYS 11 CO -0.00 -0.41 1.15 -2.14 0.00 0.00 0.00 175.35 173.96 1yel s PRO 12 N -3.04 4.50 0.17 1.78 0.02 -1.26 -2.34 135.00 134.83 1yel s PRO 12 Ca -0.02 1.74 -0.24 0.00 0.02 0.00 0.00 61.00 62.50 1yel s PRO 12 Cb 0.00 -3.32 -0.08 0.00 0.02 0.00 0.00 34.50 31.12 1yel s PRO 12 CO -0.06 -0.11 0.76 -0.59 -0.33 0.00 0.00 177.00 176.67 1yel s PHE 13 N 0.49 3.88 -0.24 6.54 -0.71 -1.24 -4.96 117.98 121.74 1yel s PHE 13 Ca 0.54 1.60 -0.19 0.00 -1.04 0.00 0.00 56.93 57.84 1yel s PHE 13 Cb -0.29 -2.74 -0.02 0.00 -1.21 0.00 0.00 43.02 38.75 1yel s PHE 13 CO 0.32 0.50 0.58 0.42 -1.34 0.00 0.00 175.22 175.70 1yel s ILE 14 N -1.19 5.03 0.36 -4.49 1.01 -1.26 -3.21 121.20 117.45 1yel s ILE 14 Ca 0.36 1.05 0.10 0.00 0.00 0.00 0.00 60.65 62.16 1yel s ILE 14 Cb -0.22 -3.89 0.33 0.00 0.01 0.00 0.00 42.46 38.68 1yel s ILE 14 CO 0.25 0.07 1.86 -1.28 0.00 0.00 0.00 174.94 175.84 1yel h SER 15 N 7.83 0.63 -0.79 3.58 0.87 -1.92 0.38 113.55 124.13 1yel h SER 15 Ca -0.29 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.28 1yel h SER 15 Cb 1.13 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1yel h SER 15 CO 0.75 0.30 0.35 -0.33 -0.53 0.00 0.00 176.83 177.37 1yel h GLU 16 N 0.65 1.15 0.16 2.24 5.08 -1.99 0.12 114.58 121.99 1yel h GLU 16 Ca 0.47 -0.19 -0.35 0.00 -1.00 0.00 0.00 59.36 58.29 1yel h GLU 16 Cb 0.81 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1yel h GLU 16 CO -0.22 0.91 -1.81 -0.22 -1.00 0.00 0.00 179.01 176.67 1yel h LYS 17 N 1.13 0.33 0.00 2.33 3.64 -1.47 -3.31 116.57 119.22 1yel h LYS 17 Ca 0.27 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1yel h LYS 17 Cb 0.16 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1yel h LYS 17 CO -0.03 1.25 0.00 0.43 -2.27 0.00 0.00 179.45 178.83 1yel n SER 18 N -3.53 0.00 0.27 4.20 7.64 0.12 -1.25 113.62 121.07 1yel n SER 18 Ca -0.26 -1.13 0.17 0.00 1.01 0.00 0.00 58.87 58.65 1yel n SER 18 Cb 1.06 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.88 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 0.00 0.00 0.00 6.43 0.02 -1.06 -3.39 113.55 115.55 1yel h SER 19 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yel h SER 19 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1yel h SER 19 CO 0.00 0.00 -0.19 2.29 -1.14 0.00 0.00 176.83 177.79 1yel n LYS 20 N -3.09 0.29 -4.20 3.45 2.85 -0.97 -4.68 118.16 111.80 1yel n LYS 20 Ca 0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 1yel n LYS 20 Cb 0.34 -0.59 -0.10 0.00 -0.65 0.00 0.00 35.03 34.02 1yel n LYS 20 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1yel s SER 21 N -2.50 0.41 -0.05 -5.58 1.04 -0.38 -3.95 113.70 102.69 1yel s SER 21 Ca 0.00 -1.31 0.03 0.00 0.48 0.00 0.00 55.95 55.14 1yel s SER 21 Cb 0.00 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1yel s SER 21 CO 0.00 -0.77 -0.12 -0.22 0.98 0.00 0.00 173.24 173.11 1yel s LEU 22 N -3.14 1.70 -0.06 2.42 1.98 0.17 -2.91 118.68 118.82 1yel s LEU 22 Ca 0.33 -0.28 -0.20 0.00 -2.89 0.00 0.00 54.13 51.08 1yel s LEU 22 Cb 0.07 -0.79 -0.04 0.00 0.66 0.00 0.00 46.19 46.09 1yel s LEU 22 CO 0.08 0.05 0.58 -1.83 -1.89 0.00 0.00 176.35 173.35 1yel s GLU 23 N 0.50 4.35 -0.11 1.98 -1.05 -1.26 -0.97 118.70 122.14 1yel s GLU 23 Ca -0.11 0.67 -0.14 0.00 -0.15 0.00 0.00 54.97 55.23 1yel s GLU 23 Cb -0.14 -3.40 -0.05 0.00 -0.44 0.00 0.00 34.13 30.10 1yel s GLU 23 CO 0.03 0.21 0.35 0.42 0.95 0.00 0.00 175.26 177.21 1yel s ILE 24 N 0.38 5.23 0.46 1.83 -1.09 -0.95 -4.96 121.20 122.10 1yel s ILE 24 Ca 0.31 0.67 -0.24 0.00 -2.23 0.00 0.00 60.65 59.17 1yel s ILE 24 Cb -0.17 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 1yel s ILE 24 CO 0.15 0.43 1.12 -2.65 -1.23 0.00 0.00 174.94 172.77 1yel n PRO 25 N 3.10 1.51 0.06 2.79 -0.02 -1.26 -4.33 135.00 136.84 1yel n PRO 25 Ca -0.12 0.55 -0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1yel n PRO 25 Cb 0.52 -2.23 0.29 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.56 0.37 -1.10 2.45 5.85 -1.95 0.15 115.31 122.63 1yel h LEU 26 Ca -0.47 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 1yel h LEU 26 Cb 1.32 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1yel h LEU 26 CO 0.57 0.55 0.10 1.23 -0.34 0.00 0.00 178.44 180.56 1yel h GLY 27 N 0.90 0.79 2.00 3.75 0.00 -1.99 -2.32 103.07 106.20 1yel h GLY 27 Ca 0.06 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1yel h GLY 27 CO 0.03 0.42 -0.51 0.74 0.00 0.00 0.00 176.54 177.23 1yel h PHE 28 N 0.71 0.00 -0.40 5.60 -1.00 -1.66 -0.16 116.94 120.04 1yel h PHE 28 Ca 0.16 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.95 1yel h PHE 28 Cb 0.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1yel h PHE 28 CO 0.01 0.51 0.24 -0.97 -1.61 0.00 0.00 178.31 176.49 1yel h ASN 29 N 0.00 0.39 0.55 2.17 -1.24 -0.48 -1.40 115.58 115.57 1yel h ASN 29 Ca -0.01 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 1yel h ASN 29 Cb 1.28 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 1yel h ASN 29 CO 0.07 0.28 -0.74 -0.08 -1.29 0.00 0.00 177.43 175.67 1yel h GLU 30 N 0.48 0.15 0.00 6.67 4.81 -1.40 -3.24 114.58 122.06 1yel h GLU 30 Ca 0.15 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1yel h GLU 30 Cb -0.01 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1yel h GLU 30 CO -0.06 0.82 -0.38 -0.92 -0.73 0.00 0.00 179.01 177.74 1yel h TYR 31 N 0.10 0.00 -1.74 0.92 3.20 -0.46 -3.39 116.97 115.60 1yel h TYR 31 Ca -0.02 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.58 1yel h TYR 31 Cb 1.30 0.00 -0.28 0.00 1.54 0.00 0.00 36.73 39.29 1yel h TYR 31 CO 0.02 0.38 -0.60 -0.59 -1.64 0.00 0.00 178.16 175.72 1yel s PHE 32 N -3.99 -0.74 0.09 -3.82 -0.71 -0.58 -5.04 117.98 103.19 1yel s PHE 32 Ca -0.02 -0.30 -0.26 0.00 -1.04 0.00 0.00 56.93 55.31 1yel s PHE 32 Cb 0.13 -0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.66 1yel s PHE 32 CO 0.71 -1.01 0.81 -2.14 -1.34 0.00 0.00 175.22 172.25 1yel s PRO 33 N 1.86 4.56 0.12 1.99 0.02 -1.24 -4.80 135.00 137.50 1yel s PRO 33 Ca 0.14 1.17 -0.14 0.00 0.02 0.00 0.00 61.00 62.19 1yel s PRO 33 Cb -0.13 -3.34 0.02 0.00 0.02 0.00 0.00 34.50 31.08 1yel s PRO 33 CO -0.13 0.35 0.35 0.00 -0.33 0.00 0.00 177.00 177.23 1yel s ALA 34 N -0.34 -0.70 0.23 -1.55 0.00 -1.26 -5.11 121.76 113.03 1yel s ALA 34 Ca 0.39 -0.25 -0.32 0.00 0.00 0.00 0.00 51.96 51.79 1yel s ALA 34 Cb -0.22 0.66 -0.13 0.00 0.00 0.00 0.00 23.12 23.43 1yel s ALA 34 CO 0.25 -0.62 1.56 -2.30 0.00 0.00 0.00 175.76 174.66 1yel n PRO 35 N -0.19 2.39 -2.05 0.00 -0.02 -1.26 -4.84 135.00 129.04 1yel n PRO 35 Ca -0.15 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 1yel n PRO 35 Cb 0.63 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.43 1.99 0.13 6.00 -0.71 -1.26 -4.95 117.98 119.60 1yel s PHE 36 Ca 0.71 0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 56.75 1yel s PHE 36 Cb -0.59 -3.97 -0.06 0.00 -1.21 0.00 0.00 43.02 37.19 1yel s PHE 36 CO 0.43 -3.27 0.94 -1.25 -1.34 0.00 0.00 175.22 170.73 1yel s PRO 37 N 4.66 4.70 0.13 1.99 0.04 -1.26 -4.94 135.00 140.32 1yel s PRO 37 Ca 0.74 1.42 0.10 0.00 0.04 0.00 0.00 61.00 63.30 1yel s PRO 37 Cb -0.28 -3.36 -0.15 0.00 0.04 0.00 0.00 34.50 30.75 1yel s PRO 37 CO 0.30 0.27 1.23 0.82 0.04 0.00 0.00 177.00 179.66 1yel h ILE 38 N 3.90 1.40 -3.98 0.56 1.08 -1.93 -3.31 117.51 115.24 1yel h ILE 38 Ca -0.43 -3.04 -0.49 0.00 -0.39 0.00 0.00 64.86 60.50 1yel h ILE 38 Cb 1.21 2.68 -0.23 0.00 -3.07 0.00 0.00 36.82 37.42 1yel h ILE 38 CO 0.71 0.80 -0.81 0.42 -0.69 0.00 0.00 178.15 178.58 1yel s THR 39 N -2.76 1.41 -0.00 -0.27 -4.23 -1.26 -3.93 115.64 104.60 1yel s THR 39 Ca 0.01 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 1yel s THR 39 Cb 0.09 -1.30 -0.00 0.00 1.34 0.00 0.00 72.50 72.63 1yel s THR 39 CO 0.80 -0.07 0.08 -0.69 -0.54 0.00 0.00 174.62 174.20 1yel s VAL 40 N -1.11 0.07 -0.09 2.29 1.01 0.15 -4.86 120.40 117.87 1yel s VAL 40 Ca 0.03 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1yel s VAL 40 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1yel s VAL 40 CO 0.03 -0.31 -0.17 -1.81 0.00 0.00 0.00 175.10 172.84 1yel s ASP 41 N -1.02 3.74 -0.22 3.32 1.01 -0.71 0.31 116.67 123.10 1yel s ASP 41 Ca -0.11 -0.35 -0.06 0.00 0.71 0.00 0.00 52.55 52.74 1yel s ASP 41 Cb -0.06 -1.21 -0.02 0.00 1.01 0.00 0.00 42.92 42.63 1yel s ASP 41 CO 0.00 0.23 0.02 -0.76 0.21 0.00 0.00 175.17 174.88 1yel s LEU 42 N -0.07 3.27 -0.13 1.23 1.43 0.42 -1.51 118.68 123.31 1yel s LEU 42 Ca -0.04 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1yel s LEU 42 Cb -0.14 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1yel s LEU 42 CO 0.04 0.01 0.11 -0.76 0.23 0.00 0.00 176.35 175.98 1yel s LEU 43 N 1.35 4.20 -0.03 1.79 2.01 0.24 -1.27 118.68 126.97 1yel s LEU 43 Ca 0.05 0.35 0.04 0.00 0.01 0.00 0.00 54.13 54.57 1yel s LEU 43 Cb -0.15 -2.03 -0.03 0.00 0.01 0.00 0.00 46.19 43.99 1yel s LEU 43 CO 0.01 0.35 -0.12 -0.62 1.01 0.00 0.00 176.35 176.98 1yel s ASP 44 N -0.66 4.23 0.53 2.29 2.15 0.58 -1.50 116.67 124.28 1yel s ASP 44 Ca 0.13 -0.19 0.20 0.00 0.43 0.00 0.00 52.55 53.12 1yel s ASP 44 Cb -0.12 -0.92 1.34 0.00 -0.30 0.00 0.00 42.92 42.92 1yel s ASP 44 CO 0.02 0.32 2.09 0.10 -0.17 0.00 0.00 175.17 177.54 1yel h TYR 45 N 5.04 0.00 -0.00 -5.34 -0.00 -1.84 -1.44 116.97 113.38 1yel h TYR 45 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 1yel h TYR 45 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.89 1yel h TYR 45 CO 0.53 0.00 -0.14 0.45 -0.00 0.00 0.00 178.16 179.00 1yel n SER 46 N -4.45 0.64 0.00 0.10 2.88 -1.26 -4.86 113.62 106.67 1yel n SER 46 Ca 0.02 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 1yel n SER 46 Cb 0.29 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.29 0.96 3.87 0.46 0.00 -0.55 -5.10 105.19 106.11 1yel n GLY 47 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.29 3.68 -0.23 1.61 0.52 -1.23 -4.87 118.95 118.15 1yel s ARG 48 Ca 0.00 0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 55.79 1yel s ARG 48 Cb 0.00 -2.12 0.06 0.00 0.52 0.00 0.00 34.95 33.41 1yel s ARG 48 CO 0.00 -0.45 0.58 -1.54 0.02 0.00 0.00 175.30 173.90 1yel s SER 49 N -3.88 -0.68 -0.04 0.23 1.04 -1.26 -0.31 113.70 108.80 1yel s SER 49 Ca 0.55 1.21 0.05 0.00 0.48 0.00 0.00 55.95 58.24 1yel s SER 49 Cb -0.11 1.16 -0.00 0.00 0.10 0.00 0.00 66.02 67.17 1yel s SER 49 CO 0.47 -0.21 -0.18 0.26 0.98 0.00 0.00 173.24 174.56 1yel s TRP 50 N 0.88 1.76 -0.35 5.02 0.51 -0.40 -4.95 118.94 121.41 1yel s TRP 50 Ca -0.05 -0.49 -0.19 0.00 -2.12 0.00 0.00 56.10 53.25 1yel s TRP 50 Cb -0.05 -1.18 -0.00 0.00 -0.81 0.00 0.00 33.47 31.43 1yel s TRP 50 CO -0.07 -0.16 0.57 0.99 -0.51 0.00 0.00 176.95 177.77 1yel s THR 51 N -0.03 4.96 0.23 2.01 2.01 -1.26 -0.44 115.64 123.13 1yel s THR 51 Ca -0.03 0.46 0.10 0.00 0.31 0.00 0.00 61.69 62.53 1yel s THR 51 Cb -0.11 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1yel s THR 51 CO 0.02 -0.26 -0.10 0.68 -0.69 0.00 0.00 174.62 174.27 1yel s VAL 52 N 2.54 3.05 -0.21 3.82 -7.23 0.15 -4.54 120.40 117.98 1yel s VAL 52 Ca 0.21 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1yel s VAL 52 Cb -0.15 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1yel s VAL 52 CO 0.14 -0.27 0.12 -0.60 -0.31 0.00 0.00 175.10 174.18 1yel s ARG 53 N -3.27 4.05 0.00 4.82 3.52 0.11 0.34 118.95 128.52 1yel s ARG 53 Ca 0.28 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 1yel s ARG 53 Cb -0.07 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1yel s ARG 53 CO 0.16 0.17 -0.05 1.41 -0.81 0.00 0.00 175.30 176.18 1yel s MET 54 N 0.72 2.61 -0.03 5.12 -2.45 -1.25 -0.53 119.30 123.49 1yel s MET 54 Ca 0.06 -0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 53.80 1yel s MET 54 Cb -0.13 -2.54 0.03 0.00 1.25 0.00 0.00 34.83 33.44 1yel s MET 54 CO 0.02 0.61 0.03 0.21 1.05 0.00 0.00 175.02 176.94 1yel s LYS 55 N -1.45 0.05 -0.38 4.11 2.47 0.11 -4.51 119.74 120.13 1yel s LYS 55 Ca 0.18 0.23 -0.20 0.00 -1.56 0.00 0.00 55.97 54.62 1yel s LYS 55 Cb -0.11 -0.43 0.01 0.00 -1.46 0.00 0.00 37.83 35.83 1yel s LYS 55 CO 0.08 -0.23 0.60 0.15 0.16 0.00 0.00 175.35 176.11 1yel s LYS 56 N 1.52 3.53 -0.32 4.03 -0.14 -1.26 -0.55 119.74 126.55 1yel s LYS 56 Ca -0.03 -0.15 -0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1yel s LYS 56 Cb -0.13 -3.85 0.11 0.00 -1.68 0.00 0.00 37.83 32.28 1yel s LYS 56 CO -0.03 -0.80 0.13 0.50 -0.76 0.00 0.00 175.35 174.40 1yel s ARG 57 N 2.65 0.54 1.10 1.68 3.52 -0.54 -5.01 118.95 122.88 1yel s ARG 57 Ca 0.22 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 1yel s ARG 57 Cb -0.15 -1.61 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 1yel s ARG 57 CO 0.16 -1.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.02 1yel n GLY 58 N 4.80 0.25 0.10 8.12 0.00 -1.26 -1.61 105.19 115.59 1yel n GLY 58 Ca -0.01 0.51 0.02 0.00 0.00 0.00 0.00 46.02 46.54 1yel n GLY 58 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yel h GLU 59 N 0.00 0.00 -3.48 1.61 5.08 -2.01 -3.49 114.58 112.29 1yel h GLU 59 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1yel h GLU 59 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1yel h GLU 59 CO 0.00 0.25 -0.01 0.21 -1.00 0.00 0.00 179.01 178.46 1yel s LYS 60 N -2.99 1.67 -0.15 2.33 2.20 -0.64 -4.99 119.74 117.17 1yel s LYS 60 Ca -0.02 -1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 54.32 1yel s LYS 60 Cb 0.09 0.51 -0.03 0.00 -1.51 0.00 0.00 37.83 36.89 1yel s LYS 60 CO 0.80 -0.72 -0.02 0.08 -0.36 0.00 0.00 175.35 175.13 1yel s VAL 61 N -3.83 4.03 -0.08 4.02 1.01 -1.26 -1.47 120.40 122.82 1yel s VAL 61 Ca 0.20 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1yel s VAL 61 Cb -0.02 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1yel s VAL 61 CO 0.09 0.50 -0.23 -0.36 0.00 0.00 0.00 175.10 175.11 1yel s PHE 62 N 0.20 2.38 -0.47 5.22 0.08 0.29 -2.25 117.98 123.42 1yel s PHE 62 Ca -0.01 -0.85 -0.13 0.00 0.12 0.00 0.00 56.93 56.05 1yel s PHE 62 Cb -0.14 -1.59 0.09 0.00 -0.57 0.00 0.00 43.02 40.82 1yel s PHE 62 CO 0.02 -0.31 0.37 -1.17 -0.10 0.00 0.00 175.22 174.03 1yel s LEU 63 N 0.14 5.60 0.00 -0.37 0.20 -0.15 0.07 118.68 124.17 1yel s LEU 63 Ca -0.12 -1.50 0.00 0.00 0.69 0.00 0.00 54.13 53.20 1yel s LEU 63 Cb -0.16 -2.12 0.00 0.00 -0.43 0.00 0.00 46.19 43.48 1yel s LEU 63 CO 0.06 -0.66 0.00 0.35 -0.29 0.00 0.00 176.35 175.81 1yel n THR 64 N 5.11 0.00 -2.26 3.68 -2.24 0.31 0.41 114.28 119.29 1yel n THR 64 Ca -0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 1yel n THR 64 Cb 0.43 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.03 3.08 0.00 2.28 -7.23 -1.26 -2.99 120.40 115.31 1yel s VAL 65 Ca 0.00 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 1yel s VAL 65 Cb 0.00 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1yel s VAL 65 CO 0.00 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1yel n GLY 66 N 0.61 2.79 0.29 2.32 0.00 -1.26 0.04 105.19 109.98 1yel n GLY 66 Ca 0.05 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.01 1.61 2.91 -1.75 -0.57 115.95 118.15 1yel h TRP 67 Ca 0.00 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 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 0.03 -0.28 1.05 -1.03 0.00 0.00 178.44 178.21 1yel h GLU 68 N 0.00 0.01 0.00 2.65 4.11 -1.78 0.20 114.58 119.77 1yel h GLU 68 Ca -0.00 -0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 1yel h GLU 68 Cb 0.08 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1yel h GLU 68 CO 0.00 0.29 -0.69 -0.91 0.07 0.00 0.00 179.01 177.77 1yel h ASN 69 N 0.01 0.00 0.08 3.06 4.21 -1.48 -2.03 115.58 119.43 1yel h ASN 69 Ca -0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 1yel h ASN 69 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1yel h ASN 69 CO 0.04 0.69 -0.04 0.15 -1.29 0.00 0.00 177.43 176.98 1yel h PHE 70 N 0.00 -0.10 -0.44 1.19 3.04 -1.17 -0.39 116.94 119.08 1yel h PHE 70 Ca -0.01 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1yel h PHE 70 Cb 1.27 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.79 1yel h PHE 70 CO 0.00 0.44 0.26 -0.24 -2.02 0.00 0.00 178.31 176.75 1yel h VAL 71 N -0.77 1.15 -0.10 1.41 3.04 -0.68 -2.03 116.25 118.26 1yel h VAL 71 Ca -0.01 -0.35 -0.15 0.00 -1.01 0.00 0.00 66.70 65.18 1yel h VAL 71 Cb 0.59 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 1yel h VAL 71 CO 0.02 0.15 -0.60 0.11 -1.01 0.00 0.00 177.57 176.23 1yel h LYS 72 N 0.58 0.35 -0.10 4.17 1.79 -1.45 -0.32 116.57 121.59 1yel h LYS 72 Ca 0.16 -0.24 -0.23 0.00 -2.18 0.00 0.00 60.65 58.15 1yel h LYS 72 Cb 0.01 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1yel h LYS 72 CO -0.03 0.85 -0.86 0.22 -1.08 0.00 0.00 179.45 178.55 1yel h ASP 73 N 0.26 0.90 0.91 0.86 3.58 -0.68 -3.17 116.42 119.09 1yel h ASP 73 Ca -0.01 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1yel h ASP 73 Cb 1.13 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1yel h ASP 73 CO 0.10 1.43 -0.96 0.59 -2.88 0.00 0.00 179.24 177.52 1yel n ASN 74 N -3.90 0.79 -2.95 2.28 4.13 -0.80 -5.02 115.26 109.80 1yel n ASN 74 Ca -0.08 0.25 -0.10 0.00 1.68 0.00 0.00 54.58 56.33 1yel n ASN 74 Cb 0.79 0.45 0.01 0.00 -1.54 0.00 0.00 39.78 39.49 1yel n ASN 74 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1yel n ASN 75 N -2.52 -7.46 -4.09 6.41 5.15 -0.16 -4.76 115.26 107.83 1yel n ASN 75 Ca 0.01 0.68 -0.15 0.00 -0.60 0.00 0.00 54.58 54.51 1yel n ASN 75 Cb 0.52 -4.41 -0.12 0.00 -0.53 0.00 0.00 39.78 35.25 1yel n ASN 75 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1yel s LEU 76 N -2.14 2.23 0.25 1.20 0.05 -1.04 -4.94 118.68 114.28 1yel s LEU 76 Ca 0.17 -0.51 -0.03 0.00 0.05 0.00 0.00 54.13 53.81 1yel s LEU 76 Cb -0.04 -0.31 -0.02 0.00 -2.05 0.00 0.00 46.19 43.76 1yel s LEU 76 CO 0.71 -0.12 0.28 -1.83 -0.55 0.00 0.00 176.35 174.84 1yel s GLU 77 N -1.43 1.45 0.38 1.48 -1.05 -1.26 -4.94 118.70 113.33 1yel s GLU 77 Ca -0.06 -1.61 -0.27 0.00 -0.15 0.00 0.00 54.97 52.89 1yel s GLU 77 Cb -0.09 0.35 -0.11 0.00 -0.44 0.00 0.00 34.13 33.84 1yel s GLU 77 CO 0.01 -0.54 1.31 -0.40 0.95 0.00 0.00 175.26 176.59 1yel n ASP 78 N -0.61 2.83 0.00 0.83 5.75 -1.20 -2.97 116.55 121.19 1yel n ASP 78 Ca 0.02 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 55.97 1yel n ASP 78 Cb 0.64 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 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 0.74 1.95 3.86 6.12 0.00 -1.26 -4.95 105.19 111.65 1yel n GLY 79 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.12 3.05 -0.04 1.61 1.02 -1.16 -4.94 119.74 119.16 1yel s LYS 80 Ca 0.00 -0.95 0.06 0.00 0.02 0.00 0.00 55.97 55.10 1yel s LYS 80 Cb 0.00 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1yel s LYS 80 CO 0.00 0.42 -0.24 0.71 -0.92 0.00 0.00 175.35 175.32 1yel s TYR 81 N -2.04 2.28 -0.05 3.18 1.51 0.34 -3.63 117.35 118.94 1yel s TYR 81 Ca 0.33 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1yel s TYR 81 Cb -0.08 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1yel s TYR 81 CO 0.26 -0.15 -0.16 -0.48 -1.11 0.00 0.00 175.55 173.91 1yel s LEU 82 N -0.28 2.64 -0.12 -1.29 0.05 -0.99 -0.17 118.68 118.53 1yel s LEU 82 Ca 0.01 -0.24 0.01 0.00 0.05 0.00 0.00 54.13 53.96 1yel s LEU 82 Cb -0.12 -1.53 0.02 0.00 -2.05 0.00 0.00 46.19 42.50 1yel s LEU 82 CO 0.02 0.32 -0.16 -1.58 -0.55 0.00 0.00 176.35 174.40 1yel s GLN 83 N -0.61 2.36 -0.14 1.48 0.74 0.01 -2.42 119.66 121.09 1yel s GLN 83 Ca 0.09 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 54.86 1yel s GLN 83 Cb -0.11 -2.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.94 1yel s GLN 83 CO 0.01 -0.10 -0.03 -0.06 -0.55 0.00 0.00 175.29 174.56 1yel s PHE 84 N 1.08 3.04 -0.33 1.67 0.08 -0.70 -0.67 117.98 122.15 1yel s PHE 84 Ca -0.04 -0.20 -0.15 0.00 0.12 0.00 0.00 56.93 56.67 1yel s PHE 84 Cb -0.14 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1yel s PHE 84 CO -0.04 0.06 0.33 0.42 -0.10 0.00 0.00 175.22 175.89 1yel s ILE 85 N 0.13 5.20 -0.19 0.64 1.01 0.66 -2.29 121.20 126.36 1yel s ILE 85 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1yel s ILE 85 Cb -0.14 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1yel s ILE 85 CO 0.03 -0.03 0.02 -0.31 0.00 0.00 0.00 174.94 174.64 1yel s TYR 86 N 1.96 3.10 -0.41 3.97 1.51 0.19 -2.58 117.35 125.08 1yel s TYR 86 Ca 0.11 -0.27 0.15 0.00 -1.01 0.00 0.00 57.07 56.05 1yel s TYR 86 Cb -0.17 -2.07 0.47 0.00 -0.11 0.00 0.00 41.96 40.09 1yel s TYR 86 CO 0.11 -0.10 1.38 -0.40 -1.11 0.00 0.00 175.55 175.44 1yel n ASP 87 N 3.97 3.65 -2.59 2.29 5.75 -1.26 -1.07 116.55 127.28 1yel n ASP 87 Ca -0.17 -2.71 -0.06 0.00 -0.01 0.00 0.00 54.79 51.84 1yel n ASP 87 Cb 0.52 -0.46 0.01 0.00 -1.03 0.00 0.00 41.12 40.16 1yel n ASP 87 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yel n ARG 88 N -0.17 -1.98 -1.42 0.11 3.00 -1.26 -4.61 116.66 110.33 1yel n ARG 88 Ca 0.19 1.85 0.00 0.00 -0.01 0.00 0.00 57.85 59.87 1yel n ARG 88 Cb 0.76 -4.89 0.00 0.00 0.00 0.00 0.00 32.46 28.33 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 -0.30 0.00 -1.41 0.55 2.03 -1.26 -5.02 116.55 111.14 1yel n ASP 89 Ca 0.09 -0.87 -0.02 0.00 0.52 0.00 0.00 54.79 54.52 1yel n ASP 89 Cb 0.36 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.01 1yel n ASP 89 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1yel n ARG 90 N 0.00 2.80 -3.90 -0.67 1.85 -1.26 -4.87 116.66 110.62 1yel n ARG 90 Ca 0.00 -3.04 -0.28 0.00 -1.00 0.00 0.00 57.85 53.54 1yel n ARG 90 Cb 0.00 -1.98 -0.17 0.00 -1.05 0.00 0.00 32.46 29.27 1yel n ARG 90 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1yel s THR 91 N -3.04 1.07 -0.03 8.89 -4.23 -1.26 -1.74 115.64 115.30 1yel s THR 91 Ca 0.48 -0.48 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1yel s THR 91 Cb 0.40 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 73.05 1yel s THR 91 CO 0.08 0.24 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.80 1yel s PHE 92 N 1.67 2.21 -0.23 3.99 0.08 -0.57 -4.52 117.98 120.60 1yel s PHE 92 Ca 0.03 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.45 1yel s PHE 92 Cb -0.14 -1.44 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 1yel s PHE 92 CO -0.08 -0.11 0.15 0.71 -0.10 0.00 0.00 175.22 175.78 1yel s TYR 93 N -0.36 3.32 -0.09 0.36 1.51 -1.07 -0.59 117.35 120.43 1yel s TYR 93 Ca 0.03 0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 56.31 1yel s TYR 93 Cb -0.11 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1yel s TYR 93 CO 0.01 0.10 -0.05 0.54 -1.11 0.00 0.00 175.55 175.03 1yel s VAL 94 N 0.92 3.83 -0.14 0.71 0.11 -0.56 -0.24 120.40 125.02 1yel s VAL 94 Ca 0.07 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1yel s VAL 94 Cb -0.13 -2.59 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 1yel s VAL 94 CO 0.03 0.58 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.55 1yel s ILE 95 N -0.59 2.29 -0.17 7.04 1.01 0.15 -4.26 121.20 126.68 1yel s ILE 95 Ca 0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 1yel s ILE 95 Cb -0.12 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1yel s ILE 95 CO 0.02 0.54 -0.09 -0.63 0.00 0.00 0.00 174.94 174.78 1yel s ILE 96 N 0.74 3.21 -0.28 2.92 1.01 -1.26 -0.81 121.20 126.73 1yel s ILE 96 Ca -0.08 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 1yel s ILE 96 Cb -0.16 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1yel s ILE 96 CO 0.00 0.48 0.26 -0.31 0.00 0.00 0.00 174.94 175.37 1yel s TYR 97 N 0.85 3.23 0.00 3.97 1.51 0.77 -4.59 117.35 123.08 1yel s TYR 97 Ca -0.03 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 1yel s TYR 97 Cb -0.15 -2.46 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 1yel s TYR 97 CO 0.01 -0.21 0.00 0.41 -1.11 0.00 0.00 175.55 174.65 1yel n GLY 98 N 4.95 0.59 3.25 0.71 0.00 -1.26 -0.51 105.19 112.92 1yel n GLY 98 Ca -0.12 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1yel n GLY 98 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1yel s HIS 99 N 0.00 1.68 -0.01 1.61 -3.43 -1.26 -4.89 115.29 108.99 1yel s HIS 99 Ca 0.00 -0.40 -0.30 0.00 -0.80 0.00 0.00 55.06 53.56 1yel s HIS 99 Cb 0.00 -0.96 -0.07 0.00 -1.43 0.00 0.00 32.58 30.12 1yel s HIS 99 CO 0.00 0.14 1.73 1.21 -2.00 0.00 0.00 174.74 175.82 1yel s ASN 100 N -1.57 6.60 -1.25 7.38 2.47 -1.26 -4.90 114.94 122.42 1yel s ASN 100 Ca 0.05 2.39 -0.18 0.00 0.42 0.00 0.00 52.86 55.55 1yel s ASN 100 Cb -0.09 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 37.25 1yel s ASN 100 CO 0.03 -0.95 1.66 -0.32 -3.72 0.00 0.00 177.10 173.80 1yel s MET 101 N 3.84 3.95 0.00 0.43 -2.45 -1.26 -5.23 119.30 118.58 1yel s MET 101 Ca 0.77 -1.97 0.00 0.00 -1.25 0.00 0.00 55.69 53.24 1yel s MET 101 Cb -0.37 -5.45 0.00 0.00 1.25 0.00 0.00 34.83 30.26 1yel s MET 101 CO 0.33 -2.18 0.00 0.00 1.05 0.00 0.00 175.02 174.22