#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 -2.93 -2.44 -5.12 0.00 -1.26 -4.56 120.51 104.21 1yel n ALA 2 Ca 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 53.44 54.39 1yel n ALA 2 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.21 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 -0.16 -6.52 0.11 0.00 8.00 -1.26 -4.97 116.55 111.75 1yel n ASP 3 Ca 0.07 0.93 -0.17 0.00 0.71 0.00 0.00 54.79 56.33 1yel n ASP 3 Cb 0.45 -4.28 -0.14 0.00 -0.02 0.00 0.00 41.12 37.14 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 2.11 1.46 0.00 -3.53 2.02 -1.98 -3.50 112.91 109.49 1yel h THR 4 Ca 0.00 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.20 1yel h THR 4 Cb 0.17 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1yel h THR 4 CO 0.09 0.87 0.00 0.61 0.37 0.00 0.00 175.52 177.47 1yel n GLY 5 N 1.53 1.01 2.72 2.16 0.00 -1.26 -4.95 105.19 106.41 1yel n GLY 5 Ca -0.10 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.62 -2.91 -4.29 1.61 2.13 -1.19 -4.99 120.64 109.37 1yel n GLU 6 Ca 0.00 2.43 -0.23 0.00 0.66 0.00 0.00 57.16 60.02 1yel n GLU 6 Cb 0.00 -5.36 -0.07 0.00 0.27 0.00 0.00 31.44 26.28 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 -1.99 3.42 0.02 6.31 -7.23 0.16 -4.92 120.40 116.16 1yel s VAL 7 Ca 0.10 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1yel s VAL 7 Cb -0.03 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1yel s VAL 7 CO 0.75 -0.34 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.49 1yel s GLN 8 N -3.56 0.95 0.01 4.82 0.74 -1.26 -0.13 119.66 121.22 1yel s GLN 8 Ca 0.31 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 55.08 1yel s GLN 8 Cb -0.07 -0.93 -0.01 0.00 1.10 0.00 0.00 33.01 33.10 1yel s GLN 8 CO 0.19 0.24 0.05 0.12 -0.55 0.00 0.00 175.29 175.35 1yel s PHE 9 N -0.60 0.13 -0.01 1.67 5.36 -0.27 -4.97 117.98 119.30 1yel s PHE 9 Ca 0.03 -0.28 0.07 0.00 -0.96 0.00 0.00 56.93 55.78 1yel s PHE 9 Cb -0.06 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.49 1yel s PHE 9 CO 0.00 -0.21 -0.21 -1.64 -1.46 0.00 0.00 175.22 171.70 1yel s MET 10 N -1.26 1.69 0.06 10.12 -1.94 -1.26 -0.06 119.30 126.65 1yel s MET 10 Ca -0.14 -0.79 -0.06 0.00 -1.71 0.00 0.00 55.69 53.00 1yel s MET 10 Cb -0.08 -1.66 -0.01 0.00 2.01 0.00 0.00 34.83 35.09 1yel s MET 10 CO 0.00 0.45 0.11 -1.59 -0.01 0.00 0.00 175.02 173.99 1yel s LYS 11 N -0.58 0.70 0.30 2.03 -2.85 0.13 -4.99 119.74 114.48 1yel s LYS 11 Ca 0.08 -0.93 -0.19 0.00 -1.00 0.00 0.00 55.97 53.93 1yel s LYS 11 Cb -0.08 0.27 -0.09 0.00 -2.06 0.00 0.00 37.83 35.87 1yel s LYS 11 CO -0.00 -0.19 0.79 -1.25 0.10 0.00 0.00 175.35 174.80 1yel s PRO 12 N -3.38 4.21 -0.14 1.78 0.05 -1.26 -1.55 135.00 134.72 1yel s PRO 12 Ca 0.01 0.90 -0.23 0.00 0.05 0.00 0.00 61.00 61.74 1yel s PRO 12 Cb 0.03 -2.62 -0.03 0.00 0.05 0.00 0.00 34.50 31.94 1yel s PRO 12 CO -0.08 0.24 0.69 0.12 0.05 0.00 0.00 177.00 178.01 1yel s PHE 13 N -1.78 3.47 -0.29 0.56 2.19 -0.76 -4.89 117.98 116.48 1yel s PHE 13 Ca 0.50 1.12 -0.09 0.00 0.33 0.00 0.00 56.93 58.79 1yel s PHE 13 Cb -0.14 -2.83 -0.02 0.00 -1.31 0.00 0.00 43.02 38.72 1yel s PHE 13 CO 0.19 -0.06 0.13 0.42 1.83 0.00 0.00 175.22 177.73 1yel s ILE 14 N 1.44 4.61 -0.38 3.12 1.09 -1.26 -4.06 121.20 125.77 1yel s ILE 14 Ca 0.34 -0.25 0.22 0.00 -1.10 0.00 0.00 60.65 59.86 1yel s ILE 14 Cb -0.17 -3.26 0.23 0.00 -1.06 0.00 0.00 42.46 38.20 1yel s ILE 14 CO 0.14 0.18 1.68 -1.54 -0.10 0.00 0.00 174.94 175.30 1yel n SER 15 N 4.97 0.61 0.08 3.58 3.41 -1.26 -0.07 113.62 124.94 1yel n SER 15 Ca -0.15 0.70 -0.19 0.00 -0.26 0.00 0.00 58.87 58.97 1yel n SER 15 Cb 0.50 -0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 63.50 1yel n SER 15 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1yel h GLU 16 N 0.00 0.32 0.00 4.33 4.81 -2.01 -3.37 114.58 118.66 1yel h GLU 16 Ca 0.00 -0.54 -0.28 0.00 -0.13 0.00 0.00 59.36 58.41 1yel h GLU 16 Cb 0.22 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1yel h GLU 16 CO 0.00 1.20 -2.03 1.63 -0.73 0.00 0.00 179.01 179.08 1yel n LYS 17 N -3.52 0.44 0.00 1.92 5.02 -0.74 -4.48 118.16 116.81 1yel n LYS 17 Ca -0.18 0.12 0.14 0.00 -2.02 0.00 0.00 58.31 56.37 1yel n LYS 17 Cb 1.06 -1.33 0.82 0.00 -0.02 0.00 0.00 35.03 35.56 1yel n LYS 17 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yel n SER 18 N -3.17 0.00 0.21 4.39 7.64 0.90 -0.61 113.62 122.97 1yel n SER 18 Ca -0.33 -0.93 0.14 0.00 1.01 0.00 0.00 58.87 58.76 1yel n SER 18 Cb 0.83 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 64.45 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 -1.72 -3.39 113.55 114.88 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 -0.01 2.29 -1.14 0.00 0.00 176.83 177.97 1yel n LYS 20 N -2.83 4.04 -4.35 3.45 0.00 -0.84 -4.58 118.16 113.05 1yel n LYS 20 Ca 0.03 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.15 1yel n LYS 20 Cb 0.40 -0.50 -0.14 0.00 -0.00 0.00 0.00 35.03 34.78 1yel n LYS 20 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1yel s SER 21 N -0.34 1.19 -0.18 -5.58 0.01 0.22 -3.93 113.70 105.09 1yel s SER 21 Ca 0.00 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 1yel s SER 21 Cb 0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 1yel s SER 21 CO 0.00 0.07 0.41 -0.22 0.41 0.00 0.00 173.24 173.91 1yel s LEU 22 N -0.53 4.19 -0.36 2.44 0.20 -0.28 -3.09 118.68 121.25 1yel s LEU 22 Ca 0.02 0.59 -0.17 0.00 0.69 0.00 0.00 54.13 55.26 1yel s LEU 22 Cb -0.05 -2.55 -0.00 0.00 -0.43 0.00 0.00 46.19 43.16 1yel s LEU 22 CO 0.00 -0.04 0.43 -0.70 -0.29 0.00 0.00 176.35 175.74 1yel s GLU 23 N 1.08 3.52 -0.20 1.98 -6.30 -1.26 -0.33 118.70 117.19 1yel s GLU 23 Ca 0.20 -0.37 -0.06 0.00 -2.50 0.00 0.00 54.97 52.24 1yel s GLU 23 Cb -0.15 -3.83 -0.03 0.00 0.00 0.00 0.00 34.13 30.12 1yel s GLU 23 CO 0.08 -0.62 0.03 0.42 0.02 0.00 0.00 175.26 175.19 1yel s ILE 24 N 2.17 4.32 0.32 -3.70 1.01 0.10 -5.04 121.20 120.39 1yel s ILE 24 Ca 0.14 -0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.32 1yel s ILE 24 Cb -0.16 -2.96 -0.13 0.00 0.01 0.00 0.00 42.46 39.22 1yel s ILE 24 CO 0.13 0.43 1.19 -0.81 0.00 0.00 0.00 174.94 175.87 1yel n PRO 25 N 4.04 1.84 -0.23 2.79 -0.04 -1.26 -3.18 135.00 138.95 1yel n PRO 25 Ca -0.17 0.64 -0.04 0.00 -0.04 0.00 0.00 63.50 63.90 1yel n PRO 25 Cb 0.52 -2.15 0.07 0.00 -0.04 0.00 0.00 33.50 31.90 1yel n PRO 25 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1yel h LEU 26 N 2.35 0.68 -1.80 1.53 6.46 -1.96 -1.85 115.31 120.71 1yel h LEU 26 Ca -0.44 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.30 1yel h LEU 26 Cb 1.30 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1yel h LEU 26 CO 0.62 0.48 -0.13 1.23 -0.62 0.00 0.00 178.44 180.02 1yel h GLY 27 N 0.81 0.00 1.52 3.75 0.00 -1.91 0.24 103.07 107.49 1yel h GLY 27 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.31 1yel h GLY 27 CO -0.10 0.00 -1.32 -2.75 0.00 0.00 0.00 176.54 172.37 1yel h PHE 28 N 0.00 0.41 0.01 5.60 3.57 -1.71 -3.09 116.94 121.73 1yel h PHE 28 Ca -0.00 -0.30 -0.21 0.00 3.53 0.00 0.00 57.97 60.99 1yel h PHE 28 Cb 0.40 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1yel h PHE 28 CO 0.00 1.27 -0.91 -0.97 -2.23 0.00 0.00 178.31 175.47 1yel h ASN 29 N 0.06 0.32 0.11 0.41 -1.24 -0.72 -2.91 115.58 111.62 1yel h ASN 29 Ca -0.16 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.58 1yel h ASN 29 Cb 1.97 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 40.92 1yel h ASN 29 CO 0.18 1.07 -0.03 -0.08 -1.29 0.00 0.00 177.43 177.28 1yel h GLU 30 N 0.13 0.00 0.00 6.67 4.81 -0.59 -1.40 114.58 124.19 1yel h GLU 30 Ca -0.06 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1yel h GLU 30 Cb 1.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 1yel h GLU 30 CO 0.14 0.03 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.27 1yel h TYR 31 N 0.00 0.00 -2.47 0.92 3.20 -1.43 -3.40 116.97 113.80 1yel h TYR 31 Ca -0.00 0.00 -0.45 0.00 3.14 0.00 0.00 58.73 61.42 1yel h TYR 31 Cb 0.10 0.00 -0.37 0.00 1.54 0.00 0.00 36.73 38.00 1yel h TYR 31 CO 0.00 0.27 -0.73 -0.59 -1.64 0.00 0.00 178.16 175.47 1yel s PHE 32 N -3.97 0.02 0.09 -3.82 -0.71 -0.53 -5.11 117.98 103.95 1yel s PHE 32 Ca -0.02 -0.69 -0.30 0.00 -1.04 0.00 0.00 56.93 54.89 1yel s PHE 32 Cb 0.12 -0.70 -0.05 0.00 -1.21 0.00 0.00 43.02 41.18 1yel s PHE 32 CO 0.66 -0.87 0.97 -2.14 -1.34 0.00 0.00 175.22 172.49 1yel s PRO 33 N 2.05 4.67 0.13 1.99 0.02 -1.26 -4.91 135.00 137.69 1yel s PRO 33 Ca 0.11 1.45 -0.15 0.00 0.02 0.00 0.00 61.00 62.42 1yel s PRO 33 Cb -0.16 -3.39 0.03 0.00 0.02 0.00 0.00 34.50 31.00 1yel s PRO 33 CO -0.29 0.16 0.39 0.00 -0.33 0.00 0.00 177.00 176.92 1yel s ALA 34 N 0.20 -0.86 0.43 -1.55 0.00 -1.26 -5.14 121.76 113.57 1yel s ALA 34 Ca 0.48 -0.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.08 1yel s ALA 34 Cb -0.23 0.69 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 1yel s ALA 34 CO 0.30 -0.64 1.23 -2.14 0.00 0.00 0.00 175.76 174.50 1yel s PRO 35 N -3.81 3.89 0.29 0.00 0.02 -1.26 -4.96 135.00 129.16 1yel s PRO 35 Ca 0.04 1.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 1yel s PRO 35 Cb 0.02 -2.61 -0.10 0.00 0.02 0.00 0.00 34.50 31.83 1yel s PRO 35 CO -0.11 -0.49 1.27 -0.59 -0.33 0.00 0.00 177.00 176.75 1yel s PHE 36 N -1.38 3.20 0.65 6.54 -0.71 -1.26 -4.97 117.98 120.05 1yel s PHE 36 Ca 0.59 1.41 -0.11 0.00 -1.04 0.00 0.00 56.93 57.78 1yel s PHE 36 Cb -0.33 -3.59 -0.02 0.00 -1.21 0.00 0.00 43.02 37.87 1yel s PHE 36 CO 0.42 -1.64 1.05 -2.14 -1.34 0.00 0.00 175.22 171.57 1yel s PRO 37 N -1.27 3.30 -0.14 1.99 0.02 -1.26 -4.92 135.00 132.71 1yel s PRO 37 Ca 0.50 0.75 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1yel s PRO 37 Cb -0.38 -2.05 -0.23 0.00 0.02 0.00 0.00 34.50 31.86 1yel s PRO 37 CO 0.47 -0.79 0.26 -0.89 -0.33 0.00 0.00 177.00 175.72 1yel n ILE 38 N -2.89 1.66 -3.73 2.83 -0.00 -1.26 -4.35 119.36 111.61 1yel n ILE 38 Ca 0.06 -0.68 -0.13 0.00 -0.00 0.00 0.00 62.75 62.01 1yel n ILE 38 Cb 0.54 -1.45 -0.08 0.00 -0.00 0.00 0.00 39.64 38.66 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 -2.55 0.07 0.11 1.39 2.01 -1.26 -3.62 115.64 111.78 1yel s THR 39 Ca -0.21 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1yel s THR 39 Cb 0.07 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1yel s THR 39 CO 0.75 -0.30 0.05 0.68 -0.69 0.00 0.00 174.62 175.11 1yel s VAL 40 N -2.04 0.13 -0.04 3.82 -7.23 0.65 -4.85 120.40 110.85 1yel s VAL 40 Ca -0.08 -1.84 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1yel s VAL 40 Cb -0.02 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 1yel s VAL 40 CO 0.00 -0.59 -0.25 -0.62 -0.31 0.00 0.00 175.10 173.33 1yel s ASP 41 N -3.01 3.04 -0.21 4.85 2.15 -1.23 -0.47 116.67 121.80 1yel s ASP 41 Ca 0.19 -0.49 -0.05 0.00 0.43 0.00 0.00 52.55 52.63 1yel s ASP 41 Cb 0.07 -0.61 -0.02 0.00 -0.30 0.00 0.00 42.92 42.06 1yel s ASP 41 CO -0.01 0.28 0.00 -0.76 -0.17 0.00 0.00 175.17 174.51 1yel s LEU 42 N -0.36 3.23 -0.08 -1.34 1.43 0.99 -3.12 118.68 119.43 1yel s LEU 42 Ca 0.03 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1yel s LEU 42 Cb -0.12 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1yel s LEU 42 CO 0.02 0.04 0.11 -0.76 0.23 0.00 0.00 176.35 175.99 1yel s LEU 43 N 1.14 4.16 0.04 1.79 2.01 0.34 -0.77 118.68 127.39 1yel s LEU 43 Ca 0.03 0.34 0.05 0.00 0.01 0.00 0.00 54.13 54.56 1yel s LEU 43 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 46.19 43.88 1yel s LEU 43 CO 0.01 0.36 -0.12 -0.62 1.01 0.00 0.00 176.35 177.00 1yel s ASP 44 N -1.26 4.28 0.57 2.29 -1.08 0.35 -1.62 116.67 120.19 1yel s ASP 44 Ca 0.18 -0.29 0.25 0.00 -0.52 0.00 0.00 52.55 52.17 1yel s ASP 44 Cb -0.12 -0.86 1.58 0.00 -1.46 0.00 0.00 42.92 42.06 1yel s ASP 44 CO 0.08 0.25 2.15 0.22 0.52 0.00 0.00 175.17 178.39 1yel h TYR 45 N 4.36 0.00 0.00 -5.34 3.20 -1.85 0.26 116.97 117.60 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 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1yel h TYR 45 CO 0.56 0.00 0.00 0.45 -1.64 0.00 0.00 178.16 177.53 1yel n SER 46 N -4.07 0.00 0.00 -2.11 2.88 -1.26 -4.85 113.62 104.21 1yel n SER 46 Ca -0.00 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 1yel n SER 46 Cb 0.21 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 1.18 0.67 3.84 0.46 0.00 0.08 -5.08 105.19 106.34 1yel n GLY 47 Ca 0.16 0.00 -0.33 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 -0.88 4.09 -0.07 1.61 1.81 -1.23 -4.87 118.95 119.42 1yel s ARG 48 Ca 0.00 0.90 -0.05 0.00 -1.72 0.00 0.00 55.73 54.86 1yel s ARG 48 Cb 0.00 -2.28 0.02 0.00 -0.45 0.00 0.00 34.95 32.24 1yel s ARG 48 CO 0.00 0.02 0.17 -1.54 -0.68 0.00 0.00 175.30 173.26 1yel s SER 49 N -2.35 -0.16 -0.15 0.23 1.04 -1.26 -0.50 113.70 110.55 1yel s SER 49 Ca 0.58 0.34 0.02 0.00 0.48 0.00 0.00 55.95 57.37 1yel s SER 49 Cb -0.10 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.34 1yel s SER 49 CO 0.17 -0.09 -0.21 0.26 0.98 0.00 0.00 173.24 174.35 1yel s TRP 50 N 0.46 2.68 -0.30 5.02 0.51 0.05 -4.95 118.94 122.42 1yel s TRP 50 Ca -0.03 -1.41 -0.21 0.00 -2.12 0.00 0.00 56.10 52.34 1yel s TRP 50 Cb -0.05 -1.83 -0.01 0.00 -0.81 0.00 0.00 33.47 30.78 1yel s TRP 50 CO -0.02 -0.65 0.64 0.99 -0.51 0.00 0.00 176.95 177.40 1yel s THR 51 N 0.92 4.93 0.20 2.01 2.01 -1.26 -0.01 115.64 124.44 1yel s THR 51 Ca -0.04 0.92 0.09 0.00 0.31 0.00 0.00 61.69 62.96 1yel s THR 51 Cb -0.15 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1yel s THR 51 CO -0.04 -0.13 -0.17 0.68 -0.69 0.00 0.00 174.62 174.27 1yel s VAL 52 N 2.62 1.86 -0.28 3.82 -7.23 0.39 -4.78 120.40 116.80 1yel s VAL 52 Ca 0.26 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 1yel s VAL 52 Cb -0.15 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1yel s VAL 52 CO 0.11 -0.45 0.20 -0.13 -0.31 0.00 0.00 175.10 174.52 1yel s ARG 53 N -3.26 3.96 -0.13 4.82 0.52 -1.25 -0.25 118.95 123.35 1yel s ARG 53 Ca 0.20 -0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1yel s ARG 53 Cb -0.03 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.79 1yel s ARG 53 CO 0.08 -0.18 -0.19 1.41 0.02 0.00 0.00 175.30 176.44 1yel s MET 54 N 1.76 2.66 -0.07 3.54 -2.45 -1.24 -0.11 119.30 123.40 1yel s MET 54 Ca 0.08 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.83 1yel s MET 54 Cb -0.16 -2.22 0.01 0.00 1.25 0.00 0.00 34.83 33.71 1yel s MET 54 CO 0.11 -0.07 -0.17 0.15 1.05 0.00 0.00 175.02 176.09 1yel s LYS 55 N 0.99 2.14 -0.25 4.11 3.01 -1.18 -4.17 119.74 124.38 1yel s LYS 55 Ca -0.05 -0.59 -0.13 0.00 -1.01 0.00 0.00 55.97 54.20 1yel s LYS 55 Cb -0.15 -1.71 -0.05 0.00 -1.01 0.00 0.00 37.83 34.91 1yel s LYS 55 CO -0.04 0.11 0.26 0.21 0.51 0.00 0.00 175.35 176.40 1yel s LYS 56 N 0.46 4.05 -0.30 1.68 2.20 -1.26 -3.67 119.74 122.89 1yel s LYS 56 Ca -0.14 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1yel s LYS 56 Cb -0.16 -3.60 0.14 0.00 -1.51 0.00 0.00 37.83 32.71 1yel s LYS 56 CO 0.05 -0.09 0.32 0.50 -0.36 0.00 0.00 175.35 175.76 1yel s ARG 57 N 1.51 0.37 0.75 4.03 3.52 -1.26 -4.52 118.95 123.34 1yel s ARG 57 Ca 0.11 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1yel s ARG 57 Cb -0.15 -0.64 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 1yel s ARG 57 CO 0.08 -1.05 0.00 0.41 -0.81 0.00 0.00 175.30 173.93 1yel n GLY 58 N 5.17 -1.79 0.58 8.12 0.00 -1.26 -4.37 105.19 111.64 1yel n GLY 58 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 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 1.78 -5.04 1.61 -0.58 -1.26 -4.77 120.64 112.38 1yel n GLU 59 Ca 0.00 -1.16 -0.30 0.00 -0.42 0.00 0.00 57.16 55.28 1yel n GLU 59 Cb 0.00 -1.44 -0.15 0.00 -0.57 0.00 0.00 31.44 29.28 1yel n GLU 59 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1yel s LYS 60 N -1.87 1.88 -0.11 3.49 0.00 -1.26 -4.10 119.74 117.76 1yel s LYS 60 Ca 0.35 -1.02 0.01 0.00 0.00 0.00 0.00 55.97 55.30 1yel s LYS 60 Cb 0.19 -1.96 -0.02 0.00 0.00 0.00 0.00 37.83 36.05 1yel s LYS 60 CO 0.30 0.52 -0.14 0.08 0.00 0.00 0.00 175.35 176.11 1yel s VAL 61 N -0.72 2.99 -0.09 1.79 1.01 -1.19 -4.15 120.40 120.03 1yel s VAL 61 Ca 0.11 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1yel s VAL 61 Cb -0.10 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1yel s VAL 61 CO 0.01 0.54 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 1yel s PHE 62 N 0.15 2.55 -0.41 5.22 0.08 -1.24 -0.72 117.98 123.61 1yel s PHE 62 Ca -0.07 -0.92 -0.24 0.00 0.12 0.00 0.00 56.93 55.82 1yel s PHE 62 Cb -0.15 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1yel s PHE 62 CO 0.05 -0.34 0.83 -0.51 -0.10 0.00 0.00 175.22 175.15 1yel s LEU 63 N 0.19 4.12 0.00 -0.37 1.02 0.56 -3.11 118.68 121.09 1yel s LEU 63 Ca -0.14 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1yel s LEU 63 Cb -0.17 -3.07 0.00 0.00 0.02 0.00 0.00 46.19 42.97 1yel s LEU 63 CO 0.07 -0.86 0.00 0.35 0.02 0.00 0.00 176.35 175.93 1yel n THR 64 N 6.04 0.00 -1.69 5.49 -2.24 0.85 -1.13 114.28 121.60 1yel n THR 64 Ca 0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1yel n THR 64 Cb 0.48 -0.61 0.01 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.59 2.64 0.00 2.28 0.24 -1.25 -3.03 118.33 117.62 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 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 30.87 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 0.88 2.81 0.32 7.63 0.00 -1.26 -3.75 105.19 111.82 1yel n GLY 66 Ca 0.07 -0.97 0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.23 1.61 2.91 -1.75 -1.75 115.95 116.75 1yel h TRP 67 Ca 0.00 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.09 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 0.00 0.16 1.05 -1.03 0.00 0.00 178.44 178.62 1yel h GLU 68 N 0.00 0.00 -0.51 2.65 4.11 -1.81 -1.30 114.58 117.72 1yel h GLU 68 Ca 0.03 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 1yel h GLU 68 Cb 0.21 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1yel h GLU 68 CO -0.00 0.00 0.20 -0.91 0.07 0.00 0.00 179.01 178.37 1yel h ASN 69 N 0.00 0.66 -0.02 3.06 2.35 -1.69 0.63 115.58 120.57 1yel h ASN 69 Ca 0.11 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1yel h ASN 69 Cb 0.43 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1yel h ASN 69 CO -0.00 0.60 -0.17 0.15 -1.65 0.00 0.00 177.43 176.35 1yel h PHE 70 N 0.72 0.21 -0.68 1.19 3.57 -1.43 -0.67 116.94 119.85 1yel h PHE 70 Ca 0.18 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1yel h PHE 70 Cb 0.14 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1yel h PHE 70 CO 0.01 0.84 0.16 -0.24 -2.23 0.00 0.00 178.31 176.85 1yel h VAL 71 N -0.47 1.26 -0.09 1.41 3.04 -1.20 0.43 116.25 120.62 1yel h VAL 71 Ca -0.02 -0.98 -0.14 0.00 -1.01 0.00 0.00 66.70 64.56 1yel h VAL 71 Cb 0.87 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1yel h VAL 71 CO 0.04 0.37 -0.55 0.11 -1.01 0.00 0.00 177.57 176.53 1yel h LYS 72 N 1.03 0.27 0.09 4.17 1.57 -0.94 0.13 116.57 122.89 1yel h LYS 72 Ca 0.21 -0.17 -0.29 0.00 -1.87 0.00 0.00 60.65 58.54 1yel h LYS 72 Cb 0.38 0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.74 1yel h LYS 72 CO 0.00 0.75 -1.18 0.22 -0.57 0.00 0.00 179.45 178.67 1yel h ASP 73 N 0.21 0.89 -0.00 0.86 1.82 -0.47 -3.31 116.42 116.42 1yel h ASP 73 Ca 0.00 -0.80 0.00 0.00 -0.39 0.00 0.00 57.03 55.84 1yel h ASP 73 Cb 1.03 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1yel h ASP 73 CO 0.09 1.59 -0.16 0.59 -1.61 0.00 0.00 179.24 179.74 1yel n ASN 74 N -3.82 2.38 -3.44 2.28 5.03 0.08 -4.84 115.26 112.93 1yel n ASN 74 Ca -0.13 -1.71 -0.36 0.00 0.87 0.00 0.00 54.58 53.24 1yel n ASN 74 Cb 0.95 0.15 0.04 0.00 -1.02 0.00 0.00 39.78 39.90 1yel n ASN 74 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1yel n ASN 75 N 0.65 -5.75 -4.82 6.41 5.03 0.42 -3.54 115.26 113.66 1yel n ASN 75 Ca 0.13 -0.09 -0.32 0.00 0.87 0.00 0.00 54.58 55.18 1yel n ASN 75 Cb 0.51 -2.01 -0.06 0.00 -1.02 0.00 0.00 39.78 37.20 1yel n ASN 75 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1yel s LEU 76 N -2.45 4.03 0.24 3.41 1.43 -1.11 -4.56 118.68 119.66 1yel s LEU 76 Ca 0.37 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1yel s LEU 76 Cb -0.04 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1yel s LEU 76 CO 0.86 0.23 0.27 -1.83 0.23 0.00 0.00 176.35 176.11 1yel s GLU 77 N -2.05 1.41 0.33 1.70 -1.05 -1.26 -4.97 118.70 112.81 1yel s GLU 77 Ca 0.27 -1.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.22 1yel s GLU 77 Cb -0.12 0.34 -0.11 0.00 -0.44 0.00 0.00 34.13 33.80 1yel s GLU 77 CO 0.19 -0.52 1.45 0.16 0.95 0.00 0.00 175.26 177.49 1yel s ASP 78 N -3.15 6.52 0.00 0.83 -4.77 -1.26 -2.06 116.67 112.78 1yel s ASP 78 Ca 0.34 2.87 0.00 0.00 -3.30 0.00 0.00 52.55 52.46 1yel s ASP 78 Cb 0.04 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1yel s ASP 78 CO 0.13 -0.76 0.00 0.61 0.70 0.00 0.00 175.17 175.86 1yel n GLY 79 N 1.14 2.72 3.95 2.12 0.00 -1.26 -5.00 105.19 108.87 1yel n GLY 79 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.44 3.48 0.06 1.61 1.02 -0.87 -4.99 119.74 119.60 1yel s LYS 80 Ca 0.00 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.55 1yel s LYS 80 Cb 0.00 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1yel s LYS 80 CO 0.00 0.28 -0.10 0.71 -0.92 0.00 0.00 175.35 175.32 1yel s TYR 81 N -2.14 0.88 -0.02 3.18 2.02 -1.19 -1.84 117.35 118.24 1yel s TYR 81 Ca 0.38 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 1yel s TYR 81 Cb -0.10 -0.51 -0.00 0.00 -0.40 0.00 0.00 41.96 40.95 1yel s TYR 81 CO 0.33 -0.04 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.64 1yel s LEU 82 N -1.78 1.89 -0.04 -1.29 1.02 -0.59 0.08 118.68 117.97 1yel s LEU 82 Ca -0.05 -0.23 0.06 0.00 0.02 0.00 0.00 54.13 53.93 1yel s LEU 82 Cb -0.09 -0.67 -0.02 0.00 0.02 0.00 0.00 46.19 45.44 1yel s LEU 82 CO 0.01 0.11 -0.23 0.00 0.02 0.00 0.00 176.35 176.26 1yel s GLN 83 N 0.00 2.33 -0.11 1.70 -2.07 0.32 -0.69 119.66 121.13 1yel s GLN 83 Ca -0.01 -0.87 0.02 0.00 -1.82 0.00 0.00 55.36 52.68 1yel s GLN 83 Cb -0.08 -2.15 -0.01 0.00 -1.09 0.00 0.00 33.01 29.68 1yel s GLN 83 CO 0.00 0.52 -0.17 -0.06 -1.32 0.00 0.00 175.29 174.26 1yel s PHE 84 N -0.50 2.70 -0.32 9.60 0.40 0.91 -0.48 117.98 130.29 1yel s PHE 84 Ca 0.06 -0.74 -0.11 0.00 -0.60 0.00 0.00 56.93 55.54 1yel s PHE 84 Cb -0.11 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1yel s PHE 84 CO 0.01 -0.25 0.20 0.42 0.70 0.00 0.00 175.22 176.30 1yel s ILE 85 N 0.24 5.05 -0.14 0.64 1.01 0.14 -1.11 121.20 127.03 1yel s ILE 85 Ca -0.12 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1yel s ILE 85 Cb -0.16 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.76 1yel s ILE 85 CO 0.06 0.05 -0.19 -0.47 0.00 0.00 0.00 174.94 174.39 1yel s TYR 86 N 1.69 2.42 -2.05 3.97 5.04 0.81 -1.45 117.35 127.79 1yel s TYR 86 Ca 0.06 -1.25 0.30 0.00 -2.44 0.00 0.00 57.07 53.73 1yel s TYR 86 Cb -0.17 -1.69 1.46 0.00 0.35 0.00 0.00 41.96 41.91 1yel s TYR 86 CO 0.09 -0.61 1.98 -0.25 -1.34 0.00 0.00 175.55 175.42 1yel n ASP 87 N 4.27 0.58 -2.16 4.32 8.00 -1.26 0.40 116.55 130.71 1yel n ASP 87 Ca -0.19 -1.02 -0.03 0.00 0.71 0.00 0.00 54.79 54.25 1yel n ASP 87 Cb 0.51 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1yel n ASP 87 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1yel n ARG 88 N -0.64 -1.30 0.00 -1.24 0.63 -1.26 -3.46 116.66 109.39 1yel n ARG 88 Ca 0.20 1.37 0.00 0.00 -0.92 0.00 0.00 57.85 58.50 1yel n ARG 88 Cb 0.23 -3.50 0.00 0.00 0.45 0.00 0.00 32.46 29.64 1yel n ARG 88 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1yel n ASP 89 N -0.25 0.00 -0.91 6.15 2.03 -1.26 -5.00 116.55 117.30 1yel n ASP 89 Ca 0.05 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.43 1yel n ASP 89 Cb 0.18 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.80 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 2.92 -4.23 -0.67 3.00 -1.26 -4.94 116.66 111.48 1yel n ARG 90 Ca 0.00 -2.33 -0.34 0.00 -0.01 0.00 0.00 57.85 55.16 1yel n ARG 90 Cb 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 32.46 30.89 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 -1.21 3.78 -0.04 0.55 2.01 -1.26 -3.47 115.64 115.99 1yel s THR 91 Ca 0.33 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.99 1yel s THR 91 Cb 0.19 -2.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 1yel s THR 91 CO 0.20 0.46 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.08 1yel s PHE 92 N 0.78 1.52 -0.21 4.92 0.40 -1.18 -3.99 117.98 120.22 1yel s PHE 92 Ca -0.01 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1yel s PHE 92 Cb -0.14 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.33 1yel s PHE 92 CO 0.02 -0.16 -0.01 0.71 0.70 0.00 0.00 175.22 176.48 1yel s TYR 93 N 0.11 3.02 -0.20 0.36 2.02 -0.53 -0.50 117.35 121.62 1yel s TYR 93 Ca -0.04 -0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 56.04 1yel s TYR 93 Cb -0.11 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1yel s TYR 93 CO 0.02 -0.31 0.00 0.08 -1.57 0.00 0.00 175.55 173.77 1yel s VAL 94 N 1.13 3.95 -0.24 0.71 1.01 -0.64 -0.68 120.40 125.63 1yel s VAL 94 Ca 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1yel s VAL 94 Cb -0.14 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1yel s VAL 94 CO 0.01 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 174.85 1yel s ILE 95 N 1.06 3.05 -0.10 2.22 1.09 0.37 -4.64 121.20 124.24 1yel s ILE 95 Ca 0.02 -0.84 -0.06 0.00 -1.10 0.00 0.00 60.65 58.67 1yel s ILE 95 Cb -0.14 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 1yel s ILE 95 CO 0.02 0.28 0.13 0.27 -0.10 0.00 0.00 174.94 175.53 1yel s ILE 96 N 1.38 5.36 -0.15 2.92 -4.36 -1.26 -0.52 121.20 124.57 1yel s ILE 96 Ca 0.02 0.12 -0.07 0.00 -0.26 0.00 0.00 60.65 60.46 1yel s ILE 96 Cb -0.16 -3.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.16 1yel s ILE 96 CO -0.04 0.59 0.11 -0.31 0.24 0.00 0.00 174.94 175.52 1yel s TYR 97 N -1.04 3.42 0.00 1.37 2.02 0.11 -4.65 117.35 118.58 1yel s TYR 97 Ca 0.16 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.20 1yel s TYR 97 Cb -0.12 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1yel s TYR 97 CO 0.05 0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 1yel n GLY 98 N 2.80 -0.17 3.48 0.71 0.00 -1.26 -3.17 105.19 107.58 1yel n GLY 98 Ca -0.18 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1yel n GLY 98 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yel s HIS 99 N -1.17 2.71 -0.62 1.61 3.76 -1.26 -4.93 115.29 115.38 1yel s HIS 99 Ca 0.00 -0.72 -0.27 0.00 -0.15 0.00 0.00 55.06 53.92 1yel s HIS 99 Cb 0.00 -4.39 0.03 0.00 1.11 0.00 0.00 32.58 29.34 1yel s HIS 99 CO 0.00 -1.71 1.18 1.21 -0.85 0.00 0.00 174.74 174.57 1yel s ASN 100 N 3.84 6.35 -0.29 1.40 2.47 -1.23 -4.96 114.94 122.51 1yel s ASN 100 Ca 0.29 -0.14 -0.04 0.00 0.42 0.00 0.00 52.86 53.39 1yel s ASN 100 Cb -0.11 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.19 1yel s ASN 100 CO 0.04 -1.55 0.02 -0.32 -3.72 0.00 0.00 177.10 171.57 1yel s MET 101 N 5.01 2.74 0.00 0.43 -2.45 -1.26 -4.49 119.30 119.28 1yel s MET 101 Ca 0.38 -1.07 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 1yel s MET 101 Cb -0.09 -3.21 0.00 0.00 1.25 0.00 0.00 34.83 32.79 1yel s MET 101 CO 0.21 -0.52 0.00 0.00 1.05 0.00 0.00 175.02 175.77