#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yel s ALA 2 N 0.00 3.87 -1.35 -5.12 0.00 -1.26 -4.87 121.76 113.03 1yel s ALA 2 Ca 0.00 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1yel s ALA 2 Cb 0.00 -3.67 0.07 0.00 0.00 0.00 0.00 23.12 19.52 1yel s ALA 2 CO 0.00 -0.88 1.91 -3.47 0.00 0.00 0.00 175.76 173.32 1yel n ASP 3 N 4.05 4.57 0.07 0.00 2.03 -1.26 -4.01 116.55 121.99 1yel n ASP 3 Ca 0.15 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.56 1yel n ASP 3 Cb 0.37 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.06 1yel n ASP 3 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1yel n THR 4 N 5.77 0.87 -4.49 5.18 -1.04 -1.26 -5.10 114.28 114.21 1yel n THR 4 Ca 0.49 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.79 1yel n THR 4 Cb 0.43 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1yel n THR 4 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yel n GLY 5 N 3.02 0.07 3.08 3.41 0.00 -1.26 -4.66 105.19 108.85 1yel n GLY 5 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 1yel n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yel s GLU 6 N 0.00 0.34 -0.04 1.61 -1.05 -1.26 -4.45 118.70 113.85 1yel s GLU 6 Ca 0.00 0.77 0.04 0.00 -0.15 0.00 0.00 54.97 55.63 1yel s GLU 6 Cb 0.00 -0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.58 1yel s GLU 6 CO 0.00 -0.46 -0.14 0.14 0.95 0.00 0.00 175.26 175.75 1yel s VAL 7 N 2.58 3.08 0.06 1.83 -7.23 0.11 -4.93 120.40 115.89 1yel s VAL 7 Ca 0.06 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.56 1yel s VAL 7 Cb -0.14 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1yel s VAL 7 CO -0.14 0.56 -0.23 -1.58 -0.31 0.00 0.00 175.10 173.39 1yel s GLN 8 N -0.83 1.85 0.00 4.82 -0.44 -1.26 -0.15 119.66 123.65 1yel s GLN 8 Ca 0.12 -1.10 -0.03 0.00 -2.50 0.00 0.00 55.36 51.85 1yel s GLN 8 Cb -0.11 -2.05 -0.01 0.00 -1.64 0.00 0.00 33.01 29.21 1yel s GLN 8 CO 0.01 0.51 0.06 0.12 0.50 0.00 0.00 175.29 176.49 1yel s PHE 9 N -0.90 0.09 0.01 1.67 5.36 -0.13 -4.98 117.98 119.11 1yel s PHE 9 Ca 0.13 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 55.93 1yel s PHE 9 Cb -0.10 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1yel s PHE 9 CO 0.04 -0.19 -0.07 0.00 -1.46 0.00 0.00 175.22 173.54 1yel s MET 10 N -1.04 0.52 0.12 10.12 0.23 -1.26 -0.16 119.30 127.83 1yel s MET 10 Ca -0.11 -0.43 -0.18 0.00 -1.03 0.00 0.00 55.69 53.94 1yel s MET 10 Cb -0.07 -0.44 0.04 0.00 -1.53 0.00 0.00 34.83 32.84 1yel s MET 10 CO 0.00 0.11 0.45 -1.59 -2.03 0.00 0.00 175.02 171.96 1yel s LYS 11 N -0.69 1.10 0.53 3.16 0.00 -1.24 -5.03 119.74 117.57 1yel s LYS 11 Ca -0.02 -0.61 -0.19 0.00 0.00 0.00 0.00 55.97 55.15 1yel s LYS 11 Cb -0.05 0.49 -0.10 0.00 0.00 0.00 0.00 37.83 38.17 1yel s LYS 11 CO 0.00 -0.43 0.56 -2.30 0.00 0.00 0.00 175.35 173.17 1yel n PRO 12 N -0.16 0.57 -4.18 1.78 -0.02 -1.26 -4.36 135.00 127.38 1yel n PRO 12 Ca -0.17 0.22 -0.25 0.00 -2.02 0.00 0.00 63.50 61.28 1yel n PRO 12 Cb 0.63 -1.68 -0.17 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.65 1.41 -0.21 6.00 2.19 -1.26 -4.90 117.98 119.56 1yel s PHE 13 Ca 0.67 -0.61 -0.00 0.00 0.33 0.00 0.00 56.93 57.32 1yel s PHE 13 Cb -0.48 -1.12 0.02 0.00 -1.31 0.00 0.00 43.02 40.13 1yel s PHE 13 CO 0.55 -0.40 -0.13 0.42 1.83 0.00 0.00 175.22 177.49 1yel s ILE 14 N 1.25 2.48 0.66 3.12 1.01 -1.26 -4.37 121.20 124.10 1yel s ILE 14 Ca -0.04 -0.95 0.44 0.00 0.00 0.00 0.00 60.65 60.10 1yel s ILE 14 Cb -0.14 -2.16 0.44 0.00 0.01 0.00 0.00 42.46 40.62 1yel s ILE 14 CO -0.03 0.39 2.37 -1.28 0.00 0.00 0.00 174.94 176.38 1yel h SER 15 N 7.97 0.00 -0.10 3.58 0.87 -1.89 0.53 113.55 124.51 1yel h SER 15 Ca -0.39 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.04 1yel h SER 15 Cb 1.13 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1yel h SER 15 CO 0.60 0.00 -0.43 -0.33 -0.53 0.00 0.00 176.83 176.14 1yel h GLU 16 N 0.00 0.48 0.06 2.24 5.08 -1.99 -2.84 114.58 117.60 1yel h GLU 16 Ca 0.00 -0.37 -0.36 0.00 -1.00 0.00 0.00 59.36 57.63 1yel h GLU 16 Cb 0.00 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1yel h GLU 16 CO -0.00 1.00 -2.11 1.17 -1.00 0.00 0.00 179.01 178.07 1yel n LYS 17 N -4.29 0.70 -0.16 2.33 4.81 -0.56 -4.09 118.16 116.88 1yel n LYS 17 Ca -0.08 0.21 0.02 0.00 -0.87 0.00 0.00 58.31 57.60 1yel n LYS 17 Cb 0.56 -1.66 0.09 0.00 0.02 0.00 0.00 35.03 34.05 1yel n LYS 17 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1yel n SER 18 N -3.27 1.62 0.23 3.14 7.64 0.18 -1.01 113.62 122.15 1yel n SER 18 Ca -0.33 -2.12 0.12 0.00 1.01 0.00 0.00 58.87 57.55 1yel n SER 18 Cb 1.05 -0.35 0.39 0.00 -1.01 0.00 0.00 64.21 64.29 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 1.04 0.00 0.00 6.43 0.87 -1.65 -3.39 113.55 116.86 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 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1yel h SER 19 CO 0.07 0.14 -0.21 0.29 -0.53 0.00 0.00 176.83 176.59 1yel n LYS 20 N -3.21 1.55 -3.82 2.24 5.02 -1.02 -4.38 118.16 114.54 1yel n LYS 20 Ca 0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1yel n LYS 20 Cb 0.46 -0.60 -0.09 0.00 -0.02 0.00 0.00 35.03 34.78 1yel n LYS 20 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1yel s SER 21 N -1.24 -0.04 -0.03 4.39 1.04 -0.18 -3.82 113.70 113.83 1yel s SER 21 Ca 0.00 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1yel s SER 21 Cb 0.00 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1yel s SER 21 CO 0.00 -0.50 -0.08 -0.76 0.98 0.00 0.00 173.24 172.87 1yel s LEU 22 N -1.78 3.09 -0.24 2.42 1.43 -0.67 -2.58 118.68 120.35 1yel s LEU 22 Ca -0.09 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1yel s LEU 22 Cb -0.03 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1yel s LEU 22 CO -0.01 0.32 0.15 -1.83 0.23 0.00 0.00 176.35 175.21 1yel s GLU 23 N -1.06 4.05 -0.16 1.70 -1.05 -1.26 -1.44 118.70 119.48 1yel s GLU 23 Ca 0.14 -0.28 -0.06 0.00 -0.15 0.00 0.00 54.97 54.62 1yel s GLU 23 Cb -0.11 -3.50 -0.04 0.00 -0.44 0.00 0.00 34.13 30.04 1yel s GLU 23 CO 0.04 0.07 0.03 0.42 0.95 0.00 0.00 175.26 176.77 1yel s ILE 24 N 1.02 4.55 0.55 1.83 -1.09 -0.68 -4.95 121.20 122.43 1yel s ILE 24 Ca 0.07 -0.13 -0.21 0.00 -2.23 0.00 0.00 60.65 58.16 1yel s ILE 24 Cb -0.13 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 1yel s ILE 24 CO 0.04 0.50 1.23 -2.65 -1.23 0.00 0.00 174.94 172.83 1yel n PRO 25 N 3.22 1.42 -0.28 2.79 -0.02 -1.26 -3.95 135.00 136.92 1yel n PRO 25 Ca -0.17 0.53 0.02 0.00 -2.02 0.00 0.00 63.50 61.86 1yel n PRO 25 Cb 0.53 -2.42 0.23 0.00 -0.02 0.00 0.00 33.50 31.82 1yel n PRO 25 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1yel h LEU 26 N 1.15 0.91 -2.15 2.45 4.07 -1.97 -1.74 115.31 118.03 1yel h LEU 26 Ca -0.50 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.45 1yel h LEU 26 Cb 1.32 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 1yel h LEU 26 CO 0.55 0.62 -0.02 1.23 -1.08 0.00 0.00 178.44 179.74 1yel h GLY 27 N 1.05 0.00 1.42 0.83 0.00 -1.91 -1.20 103.07 103.27 1yel h GLY 27 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.53 1yel h GLY 27 CO -0.11 0.00 -1.05 -2.75 0.00 0.00 0.00 176.54 172.63 1yel h PHE 28 N 0.00 0.00 -0.17 5.60 3.57 -1.69 -2.79 116.94 121.46 1yel h PHE 28 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1yel h PHE 28 Cb 0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1yel h PHE 28 CO 0.00 0.57 -0.15 -0.97 -2.23 0.00 0.00 178.31 175.53 1yel h ASN 29 N 0.00 0.43 0.92 0.41 -1.24 -1.05 -2.95 115.58 112.11 1yel h ASN 29 Ca -0.09 -0.46 0.00 0.00 0.71 0.00 0.00 56.30 56.45 1yel h ASN 29 Cb 1.52 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.45 1yel h ASN 29 CO 0.06 0.81 0.00 -1.84 -1.29 0.00 0.00 177.43 175.16 1yel n GLU 30 N -4.52 0.03 0.20 6.67 0.28 -0.81 -3.32 120.64 119.16 1yel n GLU 30 Ca -0.06 0.08 0.06 0.00 -0.16 0.00 0.00 57.16 57.09 1yel n GLU 30 Cb 0.37 -1.53 0.44 0.00 1.43 0.00 0.00 31.44 32.14 1yel n GLU 30 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1yel h TYR 31 N 0.00 0.00 -1.12 -1.84 3.20 -1.31 -3.41 116.97 112.49 1yel h TYR 31 Ca 0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1yel h TYR 31 Cb 0.46 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 38.51 1yel h TYR 31 CO 0.00 0.31 -0.37 -0.59 -1.64 0.00 0.00 178.16 175.88 1yel s PHE 32 N -4.00 -1.64 0.08 -3.82 -0.71 -1.21 -5.10 117.98 101.57 1yel s PHE 32 Ca -0.02 1.19 -0.27 0.00 -1.04 0.00 0.00 56.93 56.79 1yel s PHE 32 Cb 0.13 0.33 -0.06 0.00 -1.21 0.00 0.00 43.02 42.21 1yel s PHE 32 CO 0.68 -0.99 0.85 -2.14 -1.34 0.00 0.00 175.22 172.28 1yel s PRO 33 N 2.79 4.59 0.11 1.99 0.02 -1.26 -4.94 135.00 138.31 1yel s PRO 33 Ca 0.14 1.24 -0.16 0.00 0.02 0.00 0.00 61.00 62.24 1yel s PRO 33 Cb -0.12 -3.36 0.03 0.00 0.02 0.00 0.00 34.50 31.07 1yel s PRO 33 CO -0.24 0.27 0.38 0.00 -0.33 0.00 0.00 177.00 177.08 1yel s ALA 34 N -0.09 -0.87 0.20 -1.55 0.00 -1.26 -5.11 121.76 113.06 1yel s ALA 34 Ca 0.42 -0.05 -0.33 0.00 0.00 0.00 0.00 51.96 52.00 1yel s ALA 34 Cb -0.22 0.62 -0.13 0.00 0.00 0.00 0.00 23.12 23.40 1yel s ALA 34 CO 0.26 -0.60 1.68 -2.30 0.00 0.00 0.00 175.76 174.80 1yel n PRO 35 N -0.10 2.60 -2.29 0.00 -0.02 -1.26 -4.88 135.00 129.04 1yel n PRO 35 Ca -0.16 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 1yel n PRO 35 Cb 0.63 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 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 1.08 3.21 0.70 6.00 -0.71 -1.26 -4.99 117.98 122.01 1yel s PHE 36 Ca 0.76 1.06 -0.11 0.00 -1.04 0.00 0.00 56.93 57.60 1yel s PHE 36 Cb -0.56 -3.57 0.01 0.00 -1.21 0.00 0.00 43.02 37.70 1yel s PHE 36 CO 0.34 -1.94 1.06 -1.25 -1.34 0.00 0.00 175.22 172.10 1yel s PRO 37 N 1.48 2.91 -0.17 1.99 0.04 -1.26 -4.98 135.00 135.01 1yel s PRO 37 Ca 0.62 0.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.39 1yel s PRO 37 Cb -0.32 -1.99 -0.22 0.00 0.04 0.00 0.00 34.50 32.01 1yel s PRO 37 CO 0.28 -1.12 0.41 0.82 0.04 0.00 0.00 177.00 177.44 1yel h ILE 38 N -0.73 1.14 -3.95 0.56 1.08 -1.95 -3.39 117.51 110.26 1yel h ILE 38 Ca -0.44 -2.26 -0.25 0.00 -0.39 0.00 0.00 64.86 61.51 1yel h ILE 38 Cb 1.21 2.60 -0.20 0.00 -3.07 0.00 0.00 36.82 37.36 1yel h ILE 38 CO 0.57 0.47 -0.72 0.42 -0.69 0.00 0.00 178.15 178.19 1yel s THR 39 N -2.36 0.51 0.14 -0.27 -4.23 -1.26 -3.38 115.64 104.79 1yel s THR 39 Ca -0.25 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1yel s THR 39 Cb 0.04 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1yel s THR 39 CO 0.65 -0.48 -0.03 0.68 -0.54 0.00 0.00 174.62 174.91 1yel s VAL 40 N -1.76 0.70 -0.05 2.29 -7.23 0.62 -4.89 120.40 110.09 1yel s VAL 40 Ca -0.07 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1yel s VAL 40 Cb -0.07 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 1yel s VAL 40 CO -0.01 -0.65 -0.21 -1.81 -0.31 0.00 0.00 175.10 172.11 1yel s ASP 41 N -3.12 3.43 -0.21 4.85 1.01 -1.22 -0.54 116.67 120.87 1yel s ASP 41 Ca 0.19 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 53.01 1yel s ASP 41 Cb 0.06 -0.73 -0.02 0.00 1.01 0.00 0.00 42.92 43.24 1yel s ASP 41 CO 0.00 0.30 -0.00 -0.76 0.21 0.00 0.00 175.17 174.92 1yel s LEU 42 N -0.46 3.18 0.06 1.23 1.43 0.73 -2.26 118.68 122.59 1yel s LEU 42 Ca 0.05 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1yel s LEU 42 Cb -0.12 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1yel s LEU 42 CO 0.01 0.03 -0.02 -0.76 0.23 0.00 0.00 176.35 175.84 1yel s LEU 43 N 1.21 3.39 0.34 1.79 1.02 0.13 0.10 118.68 126.67 1yel s LEU 43 Ca 0.03 -0.16 0.08 0.00 0.02 0.00 0.00 54.13 54.11 1yel s LEU 43 Cb -0.15 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 1yel s LEU 43 CO 0.01 0.21 0.14 -0.62 0.02 0.00 0.00 176.35 176.11 1yel s ASP 44 N -2.02 4.66 0.34 2.29 2.15 0.39 -0.46 116.67 124.02 1yel s ASP 44 Ca 0.23 -0.78 0.09 0.00 0.43 0.00 0.00 52.55 52.51 1yel s ASP 44 Cb -0.12 -0.72 0.82 0.00 -0.30 0.00 0.00 42.92 42.60 1yel s ASP 44 CO 0.15 -0.30 1.82 1.88 -0.17 0.00 0.00 175.17 178.54 1yel h TYR 45 N 1.55 0.91 0.00 -5.34 0.05 -1.88 0.66 116.97 112.92 1yel h TYR 45 Ca -0.44 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1yel h TYR 45 Cb 1.25 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1yel h TYR 45 CO 0.63 0.25 0.00 0.43 -1.05 0.00 0.00 178.16 178.42 1yel n SER 46 N -4.65 0.04 0.00 3.88 7.64 -1.26 -4.80 113.62 114.47 1yel n SER 46 Ca 0.21 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1yel n SER 46 Cb 0.56 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.44 0.78 3.74 0.23 0.00 0.22 -5.04 105.19 104.69 1yel n GLY 47 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.61 4.78 -0.05 1.61 1.81 -1.25 -4.83 118.95 120.41 1yel s ARG 48 Ca 0.00 1.45 0.05 0.00 -1.72 0.00 0.00 55.73 55.50 1yel s ARG 48 Cb 0.00 -3.31 -0.00 0.00 -0.45 0.00 0.00 34.95 31.18 1yel s ARG 48 CO 0.00 0.41 -0.19 -1.54 -0.68 0.00 0.00 175.30 173.31 1yel s SER 49 N -0.75 2.34 -0.13 0.23 1.04 -1.26 -0.46 113.70 114.72 1yel s SER 49 Ca 0.43 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1yel s SER 49 Cb -0.25 -0.65 -0.02 0.00 0.10 0.00 0.00 66.02 65.20 1yel s SER 49 CO 0.31 0.17 -0.13 0.26 0.98 0.00 0.00 173.24 174.83 1yel s TRP 50 N 0.00 2.81 -0.27 5.02 0.51 0.11 -4.91 118.94 122.22 1yel s TRP 50 Ca -0.04 -0.60 -0.19 0.00 -2.12 0.00 0.00 56.10 53.15 1yel s TRP 50 Cb -0.12 -1.83 -0.02 0.00 -0.81 0.00 0.00 33.47 30.69 1yel s TRP 50 CO 0.03 -0.18 0.59 0.99 -0.51 0.00 0.00 176.95 177.86 1yel s THR 51 N 0.28 5.01 0.22 2.01 2.01 -1.26 -0.20 115.64 123.71 1yel s THR 51 Ca -0.09 0.97 0.11 0.00 0.31 0.00 0.00 61.69 62.99 1yel s THR 51 Cb -0.16 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 1yel s THR 51 CO 0.05 0.01 -0.22 0.54 -0.69 0.00 0.00 174.62 174.31 1yel s VAL 52 N 2.45 2.45 -0.27 3.82 0.11 0.30 -4.59 120.40 124.67 1yel s VAL 52 Ca 0.24 -2.14 -0.10 0.00 -2.93 0.00 0.00 61.98 57.05 1yel s VAL 52 Cb -0.15 -2.21 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 1yel s VAL 52 CO 0.09 -0.21 0.17 -0.13 -3.33 0.00 0.00 175.10 171.70 1yel s ARG 53 N -2.96 3.91 -0.08 1.54 0.52 -1.26 -0.27 118.95 120.34 1yel s ARG 53 Ca 0.24 -0.34 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1yel s ARG 53 Cb -0.07 -3.61 0.03 0.00 0.52 0.00 0.00 34.95 31.81 1yel s ARG 53 CO 0.12 -0.17 -0.04 1.41 0.02 0.00 0.00 175.30 176.64 1yel s MET 54 N 1.72 0.99 0.01 3.54 -2.45 -1.22 -0.39 119.30 121.50 1yel s MET 54 Ca 0.07 -0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.48 1yel s MET 54 Cb -0.16 -1.18 -0.01 0.00 1.25 0.00 0.00 34.83 34.73 1yel s MET 54 CO 0.10 -0.25 -0.11 0.15 1.05 0.00 0.00 175.02 175.96 1yel s LYS 55 N 1.69 0.80 -0.17 4.11 3.01 -0.91 -4.07 119.74 124.20 1yel s LYS 55 Ca 0.02 -0.48 -0.18 0.00 -1.01 0.00 0.00 55.97 54.32 1yel s LYS 55 Cb -0.13 -0.76 -0.04 0.00 -1.01 0.00 0.00 37.83 35.89 1yel s LYS 55 CO -0.05 0.20 0.49 0.15 0.51 0.00 0.00 175.35 176.65 1yel s LYS 56 N -0.57 4.24 -0.33 1.68 1.02 -1.26 -1.47 119.74 123.05 1yel s LYS 56 Ca 0.02 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1yel s LYS 56 Cb -0.05 -3.51 0.10 0.00 -0.52 0.00 0.00 37.83 33.85 1yel s LYS 56 CO 0.00 -0.03 0.11 1.03 -0.92 0.00 0.00 175.35 175.54 1yel s ARG 57 N 1.23 0.87 5.44 1.68 0.52 0.12 -4.96 118.95 123.85 1yel s ARG 57 Ca 0.24 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 1yel s ARG 57 Cb -0.15 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1yel s ARG 57 CO 0.10 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 174.82 1yel n GLY 58 N 4.63 1.73 0.35 -3.53 0.00 -1.26 -2.45 105.19 104.66 1yel n GLY 58 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 1.17 -4.23 1.61 1.02 -1.26 -5.00 120.64 113.94 1yel n GLU 59 Ca 0.00 -0.92 -0.13 0.00 -0.02 0.00 0.00 57.16 56.09 1yel n GLU 59 Cb 0.00 -1.16 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.10 1.02 -0.05 3.49 1.02 -1.03 -4.32 119.74 118.77 1yel s LYS 60 Ca 0.11 -1.43 -0.02 0.00 0.02 0.00 0.00 55.97 54.65 1yel s LYS 60 Cb 0.09 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.83 1yel s LYS 60 CO 0.19 0.05 0.04 0.08 -0.92 0.00 0.00 175.35 174.79 1yel s VAL 61 N -3.40 4.54 -0.03 3.17 1.01 -1.25 0.11 120.40 124.55 1yel s VAL 61 Ca 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1yel s VAL 61 Cb 0.03 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1yel s VAL 61 CO -0.00 0.50 -0.03 0.12 0.00 0.00 0.00 175.10 175.69 1yel s PHE 62 N -1.02 0.56 -0.36 5.22 5.36 -0.54 -1.68 117.98 125.52 1yel s PHE 62 Ca 0.17 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 55.86 1yel s PHE 62 Cb -0.12 -0.52 -0.00 0.00 -0.34 0.00 0.00 43.02 42.04 1yel s PHE 62 CO 0.07 -0.14 0.42 -0.51 -1.46 0.00 0.00 175.22 173.60 1yel s LEU 63 N 0.78 4.51 0.00 6.12 1.02 -0.52 -2.14 118.68 128.44 1yel s LEU 63 Ca -0.09 -0.28 -0.00 0.00 0.02 0.00 0.00 54.13 53.78 1yel s LEU 63 Cb -0.12 -2.42 0.01 0.00 0.02 0.00 0.00 46.19 43.67 1yel s LEU 63 CO -0.00 -0.44 0.03 0.35 0.02 0.00 0.00 176.35 176.31 1yel n THR 64 N 5.35 0.00 -1.99 5.49 -2.24 0.47 -1.67 114.28 119.69 1yel n THR 64 Ca -0.07 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1yel n THR 64 Cb 0.49 -1.87 -0.03 0.00 -2.10 0.00 0.00 70.33 66.82 1yel n THR 64 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yel s VAL 65 N -0.83 3.41 0.00 2.28 1.01 -1.25 -2.82 120.40 122.20 1yel s VAL 65 Ca 0.02 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1yel s VAL 65 Cb -0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1yel s VAL 65 CO 0.01 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1yel n GLY 66 N 4.05 0.84 0.32 4.51 0.00 -1.26 -4.65 105.19 109.00 1yel n GLY 66 Ca 0.16 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.65 -2.86 115.95 115.97 1yel h TRP 67 Ca 0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1yel h TRP 67 Cb 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1yel h TRP 67 CO 0.00 0.01 -0.12 1.05 -1.03 0.00 0.00 178.44 178.35 1yel h GLU 68 N 0.00 0.00 -0.89 2.65 -0.00 -1.77 -1.64 114.58 112.93 1yel h GLU 68 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.45 1yel h GLU 68 Cb 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 28.73 1yel h GLU 68 CO 0.00 0.12 0.57 -0.91 -0.00 0.00 0.00 179.01 178.79 1yel h ASN 69 N 0.00 0.81 -0.01 3.06 2.35 -1.84 0.11 115.58 120.05 1yel h ASN 69 Ca -0.00 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1yel h ASN 69 Cb 0.27 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1yel h ASN 69 CO 0.02 0.48 -0.08 0.15 -1.65 0.00 0.00 177.43 176.34 1yel h PHE 70 N 0.89 0.10 -0.50 1.19 3.04 -1.52 -0.72 116.94 119.43 1yel h PHE 70 Ca 0.41 -0.05 -0.11 0.00 3.98 0.00 0.00 57.97 62.20 1yel h PHE 70 Cb 0.38 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 1yel h PHE 70 CO -0.00 0.76 -0.13 -0.24 -2.02 0.00 0.00 178.31 176.68 1yel h VAL 71 N -0.59 1.27 -0.31 1.41 3.04 -1.29 0.10 116.25 119.89 1yel h VAL 71 Ca -0.01 -1.28 -0.16 0.00 -1.01 0.00 0.00 66.70 64.24 1yel h VAL 71 Cb 0.78 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1yel h VAL 71 CO 0.02 0.44 -0.46 0.07 -1.01 0.00 0.00 177.57 176.63 1yel h LYS 72 N 0.82 0.81 -0.07 4.17 2.10 -0.86 0.48 116.57 124.02 1yel h LYS 72 Ca 0.12 -0.46 -0.23 0.00 -2.00 0.00 0.00 60.65 58.08 1yel h LYS 72 Cb 0.70 0.03 0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1yel h LYS 72 CO 0.05 1.10 -0.87 0.22 -2.00 0.00 0.00 179.45 177.95 1yel h ASP 73 N 0.64 0.76 1.33 7.07 3.58 -0.83 -3.16 116.42 125.82 1yel h ASP 73 Ca 0.04 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 56.92 1yel h ASP 73 Cb 1.04 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 1yel h ASP 73 CO 0.10 1.34 -0.67 0.78 -2.88 0.00 0.00 179.24 177.91 1yel h ASN 74 N 0.39 0.00 -5.81 2.28 -0.26 -1.06 -3.49 115.58 107.63 1yel h ASN 74 Ca -0.07 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.55 1yel h ASN 74 Cb 1.50 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.76 1yel h ASN 74 CO 0.17 0.08 -0.89 -3.20 -1.06 0.00 0.00 177.43 172.52 1yel n ASN 75 N -2.87 -7.02 -3.83 5.81 5.15 0.16 -5.04 115.26 107.61 1yel n ASN 75 Ca 0.01 0.48 -0.17 0.00 -0.60 0.00 0.00 54.58 54.30 1yel n ASN 75 Cb 0.58 -3.66 -0.09 0.00 -0.53 0.00 0.00 39.78 36.08 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 -2.12 1.52 0.24 1.20 0.05 -1.22 -5.07 118.68 113.29 1yel s LEU 76 Ca 0.20 -1.57 -0.02 0.00 0.05 0.00 0.00 54.13 52.78 1yel s LEU 76 Cb -0.04 0.39 -0.03 0.00 -2.05 0.00 0.00 46.19 44.47 1yel s LEU 76 CO 0.68 -0.94 0.25 -1.83 -0.55 0.00 0.00 176.35 173.97 1yel s GLU 77 N -3.80 1.41 0.39 1.48 -1.05 -1.26 -4.99 118.70 110.88 1yel s GLU 77 Ca 0.39 -1.62 -0.27 0.00 -0.15 0.00 0.00 54.97 53.32 1yel s GLU 77 Cb 0.05 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 1yel s GLU 77 CO 0.19 -0.52 1.31 0.16 0.95 0.00 0.00 175.26 177.36 1yel s ASP 78 N -3.17 6.39 0.00 0.83 -4.77 -1.26 -2.82 116.67 111.88 1yel s ASP 78 Ca 0.35 2.67 0.00 0.00 -3.30 0.00 0.00 52.55 52.27 1yel s ASP 78 Cb 0.04 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 1yel s ASP 78 CO 0.14 -0.79 0.00 0.61 0.70 0.00 0.00 175.17 175.83 1yel n GLY 79 N 0.68 2.37 3.35 2.12 0.00 -1.26 -4.94 105.19 107.51 1yel n GLY 79 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.24 2.84 0.15 1.61 1.02 -1.13 -4.66 119.74 119.33 1yel s LYS 80 Ca 0.00 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.27 1yel s LYS 80 Cb 0.00 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1yel s LYS 80 CO 0.00 0.38 -0.12 0.71 -0.92 0.00 0.00 175.35 175.40 1yel s TYR 81 N -0.11 1.37 0.02 3.18 2.02 -0.01 -4.74 117.35 119.08 1yel s TYR 81 Ca -0.03 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 56.02 1yel s TYR 81 Cb -0.14 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 1yel s TYR 81 CO 0.04 0.15 -0.11 -0.48 -1.57 0.00 0.00 175.55 173.57 1yel s LEU 82 N -3.05 2.13 0.06 -1.29 0.05 -1.26 0.09 118.68 115.42 1yel s LEU 82 Ca 0.16 -0.37 0.09 0.00 0.05 0.00 0.00 54.13 54.06 1yel s LEU 82 Cb 0.00 -0.47 -0.03 0.00 -2.05 0.00 0.00 46.19 43.64 1yel s LEU 82 CO 0.02 0.01 -0.24 0.00 -0.55 0.00 0.00 176.35 175.59 1yel s GLN 83 N -0.90 1.78 -0.20 1.48 -2.07 0.06 -3.59 119.66 116.22 1yel s GLN 83 Ca 0.00 -1.13 -0.04 0.00 -1.82 0.00 0.00 55.36 52.37 1yel s GLN 83 Cb -0.07 -2.01 -0.02 0.00 -1.09 0.00 0.00 33.01 29.82 1yel s GLN 83 CO 0.01 0.50 -0.03 -0.06 -1.32 0.00 0.00 175.29 174.39 1yel s PHE 84 N -0.89 2.99 -0.28 9.60 0.08 0.77 -1.15 117.98 129.09 1yel s PHE 84 Ca 0.13 -0.59 -0.08 0.00 0.12 0.00 0.00 56.93 56.51 1yel s PHE 84 Cb -0.10 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 1yel s PHE 84 CO 0.04 -0.31 0.10 0.42 -0.10 0.00 0.00 175.22 175.37 1yel s ILE 85 N 1.02 4.28 0.12 0.64 1.01 0.96 -0.95 121.20 128.29 1yel s ILE 85 Ca 0.01 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1yel s ILE 85 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1yel s ILE 85 CO 0.01 0.18 -0.17 -0.72 0.00 0.00 0.00 174.94 174.25 1yel s TYR 86 N 1.58 1.55 0.00 3.97 1.13 0.78 -0.61 117.35 125.75 1yel s TYR 86 Ca 0.05 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 1yel s TYR 86 Cb -0.16 -0.82 0.00 0.00 -1.10 0.00 0.00 41.96 39.88 1yel s TYR 86 CO 0.04 0.18 0.00 -0.40 -2.51 0.00 0.00 175.55 172.86 1yel n ASP 87 N 0.76 0.00 -0.66 -0.18 5.68 -1.26 0.04 116.55 120.92 1yel n ASP 87 Ca -0.17 0.06 -0.03 0.00 -0.50 0.00 0.00 54.79 54.15 1yel n ASP 87 Cb 0.56 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 1yel n ASP 87 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1yel n ARG 88 N -0.74 0.00 -1.79 0.11 3.00 -1.26 -4.39 116.66 111.59 1yel n ARG 88 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.85 57.47 1yel n ARG 88 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 32.46 32.68 1yel n ARG 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1yel n ASP 89 N 0.00 1.94 -1.39 6.15 2.03 -1.26 -5.02 116.55 119.00 1yel n ASP 89 Ca -0.11 -0.89 0.07 0.00 0.52 0.00 0.00 54.79 54.38 1yel n ASP 89 Cb 0.53 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 41.23 1yel n ASP 89 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1yel n ARG 90 N 0.00 3.38 -3.62 -0.67 3.00 -1.26 -4.82 116.66 112.67 1yel n ARG 90 Ca 0.00 -2.35 -0.39 0.00 -0.01 0.00 0.00 57.85 55.10 1yel n ARG 90 Cb 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 32.46 30.51 1yel n ARG 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1yel s THR 91 N -1.90 4.85 -0.10 0.55 2.01 -1.26 -3.37 115.64 116.42 1yel s THR 91 Ca 0.42 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1yel s THR 91 Cb 0.28 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1yel s THR 91 CO 0.19 0.07 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.64 1yel s PHE 92 N 1.66 2.65 -0.20 4.92 0.40 -0.96 -4.24 117.98 122.21 1yel s PHE 92 Ca 0.05 -0.74 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 1yel s PHE 92 Cb -0.17 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 1yel s PHE 92 CO 0.08 -0.24 0.11 0.71 0.70 0.00 0.00 175.22 176.58 1yel s TYR 93 N 0.13 3.33 -0.08 0.36 1.51 0.22 0.21 117.35 123.03 1yel s TYR 93 Ca -0.10 0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 56.09 1yel s TYR 93 Cb -0.16 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1yel s TYR 93 CO 0.06 0.20 0.20 0.14 -1.11 0.00 0.00 175.55 175.04 1yel s VAL 94 N 0.47 5.41 -0.15 0.71 -7.23 0.39 -0.03 120.40 119.97 1yel s VAL 94 Ca 0.06 0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1yel s VAL 94 Cb -0.12 -3.48 0.03 0.00 0.56 0.00 0.00 36.38 33.38 1yel s VAL 94 CO -0.00 0.56 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.62 1yel s ILE 95 N -1.10 1.31 -0.34 -0.62 1.01 -0.30 -4.64 121.20 116.52 1yel s ILE 95 Ca 0.19 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 1yel s ILE 95 Cb -0.13 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1yel s ILE 95 CO 0.08 0.29 0.20 -0.63 0.00 0.00 0.00 174.94 174.88 1yel s ILE 96 N 1.57 4.81 -0.24 2.92 1.01 -1.26 -0.76 121.20 129.25 1yel s ILE 96 Ca 0.03 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1yel s ILE 96 Cb -0.14 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1yel s ILE 96 CO -0.09 -0.05 0.15 -0.72 0.00 0.00 0.00 174.94 174.23 1yel s TYR 97 N 1.63 3.30 -0.15 3.97 1.13 0.11 -4.94 117.35 122.40 1yel s TYR 97 Ca 0.04 0.18 -0.06 0.00 -1.41 0.00 0.00 57.07 55.83 1yel s TYR 97 Cb -0.18 -2.26 0.07 0.00 -1.10 0.00 0.00 41.96 38.49 1yel s TYR 97 CO 0.08 0.04 0.31 0.20 -2.51 0.00 0.00 175.55 173.68 1yel s GLY 98 N 1.06 -0.20 -0.98 5.49 0.00 -1.26 -0.83 107.32 110.60 1yel s GLY 98 Ca 0.07 1.14 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 1yel s GLY 98 CO 0.04 1.99 1.14 0.30 0.00 0.00 0.00 173.10 176.57 1yel s HIS 99 N 2.27 3.34 -0.76 1.90 3.76 -1.26 -4.95 115.29 119.58 1yel s HIS 99 Ca -0.02 -1.68 -0.26 0.00 -0.15 0.00 0.00 55.06 52.95 1yel s HIS 99 Cb -0.12 -4.21 -0.00 0.00 1.11 0.00 0.00 32.58 29.37 1yel s HIS 99 CO -0.10 -1.38 1.65 -0.80 -0.85 0.00 0.00 174.74 173.26 1yel s ASN 100 N 3.17 5.68 -1.15 1.40 0.01 -1.26 -4.88 114.94 117.90 1yel s ASN 100 Ca 0.33 -0.33 -0.09 0.00 -0.71 0.00 0.00 52.86 52.06 1yel s ASN 100 Cb -0.05 -2.55 0.25 0.00 0.41 0.00 0.00 41.25 39.31 1yel s ASN 100 CO -0.07 -2.16 1.39 0.23 -1.51 0.00 0.00 177.10 174.97 1yel n MET 101 N 9.14 3.78 0.00 -0.60 2.81 -1.26 -5.30 117.12 125.69 1yel n MET 101 Ca 0.21 -4.23 0.00 0.00 -1.81 0.00 0.00 57.70 51.86 1yel n MET 101 Cb 0.50 -2.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.32 1yel n MET 101 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48