#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 0.00 -1.92 3.17 0.00 -1.26 -5.04 120.51 115.46 1yel n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1yel n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1yel n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yel s ASP 3 N -0.31 5.48 0.12 0.00 2.15 -1.26 -4.82 116.67 118.03 1yel s ASP 3 Ca 0.00 1.03 0.05 0.00 0.43 0.00 0.00 52.55 54.06 1yel s ASP 3 Cb 0.00 -2.52 -0.20 0.00 -0.30 0.00 0.00 42.92 39.90 1yel s ASP 3 CO 0.00 -2.08 1.27 0.74 -0.17 0.00 0.00 175.17 174.93 1yel h THR 4 N 6.97 1.67 -0.39 1.71 2.02 -2.05 -3.47 112.91 119.38 1yel h THR 4 Ca -0.31 -3.32 0.00 0.00 0.77 0.00 0.00 66.41 63.55 1yel h THR 4 Cb 1.18 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.43 1yel h THR 4 CO 1.10 0.95 0.00 0.61 0.37 0.00 0.00 175.52 178.55 1yel n GLY 5 N 1.34 4.23 3.12 2.16 0.00 -1.26 -4.97 105.19 109.81 1yel n GLY 5 Ca -0.01 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.06 -4.18 1.61 2.13 -1.18 -4.99 120.64 111.98 1yel n GLU 6 Ca 0.00 1.75 -0.32 0.00 0.66 0.00 0.00 57.16 59.25 1yel n GLU 6 Cb 0.00 -4.48 -0.08 0.00 0.27 0.00 0.00 31.44 27.15 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 -2.39 4.33 0.02 6.31 -7.23 0.12 -4.88 120.40 116.68 1yel s VAL 7 Ca 0.23 -0.63 0.06 0.00 -1.81 0.00 0.00 61.98 59.83 1yel s VAL 7 Cb -0.05 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 1yel s VAL 7 CO 0.81 0.30 -0.15 0.00 -0.31 0.00 0.00 175.10 175.75 1yel s GLN 8 N -1.83 2.26 -0.01 4.82 -2.07 -1.26 0.07 119.66 121.64 1yel s GLN 8 Ca 0.23 -0.87 -0.08 0.00 -1.82 0.00 0.00 55.36 52.81 1yel s GLN 8 Cb -0.12 -2.30 0.01 0.00 -1.09 0.00 0.00 33.01 29.51 1yel s GLN 8 CO 0.14 0.57 0.17 0.12 -1.32 0.00 0.00 175.29 174.97 1yel s PHE 9 N -0.92 -0.03 0.03 9.60 5.36 -0.24 -4.97 117.98 126.81 1yel s PHE 9 Ca 0.15 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1yel s PHE 9 Cb -0.11 -0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.54 1yel s PHE 9 CO 0.05 -0.27 -0.04 0.00 -1.46 0.00 0.00 175.22 173.50 1yel s MET 10 N -1.13 0.42 0.11 10.12 0.23 -1.26 0.35 119.30 128.14 1yel s MET 10 Ca -0.12 -0.77 -0.18 0.00 -1.03 0.00 0.00 55.69 53.59 1yel s MET 10 Cb -0.06 0.05 0.04 0.00 -1.53 0.00 0.00 34.83 33.33 1yel s MET 10 CO 0.02 -0.04 0.44 -1.59 -2.03 0.00 0.00 175.02 171.81 1yel s LYS 11 N -2.02 1.07 0.47 3.16 -2.85 -1.21 -5.03 119.74 113.33 1yel s LYS 11 Ca -0.10 -0.58 -0.23 0.00 -1.00 0.00 0.00 55.97 54.07 1yel s LYS 11 Cb -0.06 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 36.12 1yel s LYS 11 CO -0.03 -0.42 1.21 -2.14 0.10 0.00 0.00 175.35 174.08 1yel s PRO 12 N -3.46 3.64 -0.19 1.78 0.02 -1.26 -4.01 135.00 131.53 1yel s PRO 12 Ca 0.01 1.88 -0.25 0.00 0.02 0.00 0.00 61.00 62.66 1yel s PRO 12 Cb 0.01 -2.39 -0.01 0.00 0.02 0.00 0.00 34.50 32.12 1yel s PRO 12 CO -0.10 -0.68 0.84 0.12 -0.33 0.00 0.00 177.00 176.85 1yel s PHE 13 N -1.48 3.39 -0.26 6.54 2.19 -1.23 -5.02 117.98 122.11 1yel s PHE 13 Ca 0.65 1.23 -0.05 0.00 0.33 0.00 0.00 56.93 59.09 1yel s PHE 13 Cb -0.31 -3.03 0.00 0.00 -1.31 0.00 0.00 43.02 38.37 1yel s PHE 13 CO 0.38 -0.28 0.02 0.42 1.83 0.00 0.00 175.22 177.58 1yel s ILE 14 N 2.34 3.62 -0.62 3.12 -1.09 -1.26 -4.10 121.20 123.21 1yel s ILE 14 Ca 0.38 -0.63 0.11 0.00 -2.23 0.00 0.00 60.65 58.27 1yel s ILE 14 Cb -0.16 -2.78 0.11 0.00 -1.58 0.00 0.00 42.46 38.05 1yel s ILE 14 CO 0.11 0.24 1.34 -1.54 -1.23 0.00 0.00 174.94 173.85 1yel n SER 15 N 4.81 0.27 0.00 3.58 3.41 -1.26 0.37 113.62 124.81 1yel n SER 15 Ca -0.16 0.62 -0.17 0.00 -0.26 0.00 0.00 58.87 58.90 1yel n SER 15 Cb 0.49 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.66 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 0.37 0.00 4.33 4.22 -2.00 -3.32 114.58 118.18 1yel h GLU 16 Ca 0.00 -0.41 -0.30 0.00 0.08 0.00 0.00 59.36 58.73 1yel h GLU 16 Cb 0.02 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1yel h GLU 16 CO 0.00 1.09 -2.10 1.63 -2.18 0.00 0.00 179.01 177.45 1yel n LYS 17 N -4.25 0.47 0.00 1.92 5.02 -0.45 -4.43 118.16 116.44 1yel n LYS 17 Ca -0.11 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.41 1yel n LYS 17 Cb 0.67 -1.34 0.54 0.00 -0.02 0.00 0.00 35.03 34.87 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 -3.28 0.00 0.14 4.39 7.64 0.16 -0.92 113.62 121.75 1yel n SER 18 Ca -0.35 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1yel n SER 18 Cb 0.84 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.18 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 -1.69 -3.40 113.55 115.76 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 0.61 -0.07 0.29 -0.53 0.00 0.00 176.83 177.13 1yel n LYS 20 N -3.54 2.84 -4.03 2.24 5.02 -0.58 -4.67 118.16 115.43 1yel n LYS 20 Ca -0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1yel n LYS 20 Cb 0.67 -0.30 -0.06 0.00 -0.02 0.00 0.00 35.03 35.32 1yel n LYS 20 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1yel s SER 21 N -0.22 -0.04 -0.05 4.39 0.01 -0.09 -4.08 113.70 113.62 1yel s SER 21 Ca 0.00 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.28 1yel s SER 21 Cb 0.00 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1yel s SER 21 CO 0.00 -1.06 -0.14 -0.22 0.41 0.00 0.00 173.24 172.23 1yel s LEU 22 N -3.04 1.80 -0.19 2.44 1.98 -0.12 -2.75 118.68 118.79 1yel s LEU 22 Ca 0.25 -0.30 -0.11 0.00 -2.89 0.00 0.00 54.13 51.08 1yel s LEU 22 Cb 0.01 -0.84 -0.05 0.00 0.66 0.00 0.00 46.19 45.98 1yel s LEU 22 CO 0.09 0.09 0.19 -1.83 -1.89 0.00 0.00 176.35 173.00 1yel s GLU 23 N 0.28 4.20 -0.14 1.98 1.03 -1.26 -0.78 118.70 124.02 1yel s GLU 23 Ca -0.07 -0.12 -0.01 0.00 0.03 0.00 0.00 54.97 54.80 1yel s GLU 23 Cb -0.12 -3.44 -0.02 0.00 -0.80 0.00 0.00 34.13 29.75 1yel s GLU 23 CO 0.02 0.25 -0.11 0.42 -1.33 0.00 0.00 175.26 174.51 1yel s ILE 24 N 0.49 3.22 0.39 1.83 -1.09 -1.25 -5.01 121.20 119.78 1yel s ILE 24 Ca 0.11 -0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 57.66 1yel s ILE 24 Cb -0.12 -2.37 -0.09 0.00 -1.58 0.00 0.00 42.46 38.30 1yel s ILE 24 CO 0.01 0.52 1.32 -2.84 -1.23 0.00 0.00 174.94 172.71 1yel s PRO 25 N 0.38 4.05 0.58 2.79 0.02 -1.26 -4.79 135.00 136.76 1yel s PRO 25 Ca -0.09 2.20 0.34 0.00 0.02 0.00 0.00 61.00 63.47 1yel s PRO 25 Cb -0.16 -2.83 1.79 0.00 0.02 0.00 0.00 34.50 33.33 1yel s PRO 25 CO 0.05 -0.44 2.18 -0.07 -0.33 0.00 0.00 177.00 178.39 1yel h LEU 26 N 2.83 0.00 -1.31 -5.54 4.07 -1.97 -2.34 115.31 111.05 1yel h LEU 26 Ca -0.50 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.46 1yel h LEU 26 Cb 1.24 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.95 1yel h LEU 26 CO 0.63 0.05 0.37 1.23 -1.08 0.00 0.00 178.44 179.64 1yel h GLY 27 N 0.60 0.89 1.44 0.83 0.00 -1.99 0.16 103.07 104.99 1yel h GLY 27 Ca -0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 47.33 46.69 1yel h GLY 27 CO 0.01 0.35 -1.39 -2.75 0.00 0.00 0.00 176.54 172.76 1yel h PHE 28 N 0.85 0.24 -0.21 5.60 3.57 -1.82 -3.32 116.94 121.85 1yel h PHE 28 Ca 0.22 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1yel h PHE 28 Cb -0.03 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1yel h PHE 28 CO 0.00 1.19 0.13 -0.97 -2.23 0.00 0.00 178.31 176.43 1yel h ASN 29 N 0.04 0.24 0.76 0.41 -1.24 -1.00 -2.65 115.58 112.14 1yel h ASN 29 Ca -0.18 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.80 1yel h ASN 29 Cb 1.94 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.93 1yel h ASN 29 CO 0.14 0.20 0.00 -0.62 -1.29 0.00 0.00 177.43 175.86 1yel n GLU 30 N -4.93 0.09 0.17 6.67 1.02 0.49 -2.22 120.64 121.93 1yel n GLU 30 Ca -0.03 0.26 0.04 0.00 -0.02 0.00 0.00 57.16 57.41 1yel n GLU 30 Cb 0.04 -1.65 0.21 0.00 -0.02 0.00 0.00 31.44 30.03 1yel n GLU 30 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1yel h TYR 31 N 0.00 0.00 -2.82 -0.32 3.20 -1.56 -3.40 116.97 112.07 1yel h TYR 31 Ca 0.00 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.28 1yel h TYR 31 Cb 0.38 0.00 -0.40 0.00 1.54 0.00 0.00 36.73 38.26 1yel h TYR 31 CO 0.00 0.45 -0.79 -0.59 -1.64 0.00 0.00 178.16 175.59 1yel s PHE 32 N -3.34 1.28 0.09 -3.82 -0.71 -0.94 -5.10 117.98 105.43 1yel s PHE 32 Ca 0.01 -1.88 -0.26 0.00 -1.04 0.00 0.00 56.93 53.76 1yel s PHE 32 Cb 0.10 -1.37 -0.06 0.00 -1.21 0.00 0.00 43.02 40.47 1yel s PHE 32 CO 0.71 -0.82 0.81 -2.14 -1.34 0.00 0.00 175.22 172.44 1yel s PRO 33 N 0.95 4.56 0.13 1.99 0.02 -1.26 -4.97 135.00 136.42 1yel s PRO 33 Ca 0.16 1.17 -0.15 0.00 0.02 0.00 0.00 61.00 62.20 1yel s PRO 33 Cb -0.22 -3.34 0.03 0.00 0.02 0.00 0.00 34.50 30.98 1yel s PRO 33 CO -0.05 0.34 0.40 0.00 -0.33 0.00 0.00 177.00 177.35 1yel s ALA 34 N -0.31 -0.85 0.39 -1.55 0.00 -1.26 -5.13 121.76 113.05 1yel s ALA 34 Ca 0.40 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 1yel s ALA 34 Cb -0.22 0.71 -0.11 0.00 0.00 0.00 0.00 23.12 23.50 1yel s ALA 34 CO 0.25 -0.65 1.21 -2.30 0.00 0.00 0.00 175.76 174.27 1yel n PRO 35 N -0.23 1.85 -2.12 0.00 -0.02 -1.26 -4.86 135.00 128.36 1yel n PRO 35 Ca -0.15 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1yel n PRO 35 Cb 0.63 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.18 2.28 0.41 6.00 -0.71 -1.26 -4.94 117.98 118.57 1yel s PHE 36 Ca 0.60 0.44 -0.25 0.00 -1.04 0.00 0.00 56.93 56.68 1yel s PHE 36 Cb -0.54 -3.80 -0.08 0.00 -1.21 0.00 0.00 43.02 37.38 1yel s PHE 36 CO 0.59 -3.25 1.16 -2.14 -1.34 0.00 0.00 175.22 170.25 1yel s PRO 37 N 3.68 4.00 -0.11 1.99 0.02 -1.26 -4.93 135.00 138.39 1yel s PRO 37 Ca 0.68 1.81 -0.08 0.00 0.02 0.00 0.00 61.00 63.43 1yel s PRO 37 Cb -0.31 -2.62 -0.07 0.00 0.02 0.00 0.00 34.50 31.53 1yel s PRO 37 CO 0.26 -0.35 0.18 0.82 -0.33 0.00 0.00 177.00 177.58 1yel h ILE 38 N 2.23 0.46 -3.27 2.83 1.08 -1.93 -3.41 117.51 115.49 1yel h ILE 38 Ca -0.49 -1.35 -0.46 0.00 -0.39 0.00 0.00 64.86 62.16 1yel h ILE 38 Cb 1.24 0.87 -0.17 0.00 -3.07 0.00 0.00 36.82 35.69 1yel h ILE 38 CO 0.62 0.15 -0.76 -0.89 -0.69 0.00 0.00 178.15 176.59 1yel s THR 39 N -1.78 1.63 0.03 -0.27 2.01 -1.26 -4.23 115.64 111.78 1yel s THR 39 Ca -0.06 -1.94 0.02 0.00 0.31 0.00 0.00 61.69 60.01 1yel s THR 39 Cb -0.00 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1yel s THR 39 CO 0.20 -0.44 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.94 1yel s VAL 40 N -2.37 0.40 0.06 3.82 1.01 0.17 -4.85 120.40 118.64 1yel s VAL 40 Ca 0.16 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1yel s VAL 40 Cb -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1yel s VAL 40 CO 0.05 -0.38 -0.24 -1.81 0.00 0.00 0.00 175.10 172.73 1yel s ASP 41 N -1.42 2.91 -0.09 3.32 1.01 -1.22 0.09 116.67 121.27 1yel s ASP 41 Ca -0.11 -0.60 -0.01 0.00 0.71 0.00 0.00 52.55 52.54 1yel s ASP 41 Cb -0.09 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 1yel s ASP 41 CO -0.00 0.20 -0.04 -0.76 0.21 0.00 0.00 175.17 174.78 1yel s LEU 42 N -1.40 3.33 0.12 1.23 1.43 0.11 -1.33 118.68 122.18 1yel s LEU 42 Ca 0.10 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1yel s LEU 42 Cb -0.10 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1yel s LEU 42 CO 0.03 0.34 0.22 -0.76 0.23 0.00 0.00 176.35 176.41 1yel s LEU 43 N -0.66 4.21 0.29 1.79 2.01 -0.62 -0.30 118.68 125.40 1yel s LEU 43 Ca 0.10 0.13 0.09 0.00 0.01 0.00 0.00 54.13 54.46 1yel s LEU 43 Cb -0.12 -2.80 -0.04 0.00 0.01 0.00 0.00 46.19 43.24 1yel s LEU 43 CO 0.02 0.10 0.08 -0.62 1.01 0.00 0.00 176.35 176.94 1yel s ASP 44 N -2.95 4.76 0.26 2.29 2.15 -0.68 -3.85 116.67 118.64 1yel s ASP 44 Ca 0.34 -0.62 0.05 0.00 0.43 0.00 0.00 52.55 52.74 1yel s ASP 44 Cb -0.11 -0.90 0.35 0.00 -0.30 0.00 0.00 42.92 41.96 1yel s ASP 44 CO 0.27 -0.11 1.63 1.88 -0.17 0.00 0.00 175.17 178.67 1yel h TYR 45 N 1.70 0.33 0.00 -5.34 0.05 -1.91 -3.37 116.97 108.42 1yel h TYR 45 Ca -0.45 -0.10 -0.15 0.00 0.05 0.00 0.00 58.73 58.08 1yel h TYR 45 Cb 1.25 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1yel h TYR 45 CO 0.64 0.71 -1.40 0.43 -1.05 0.00 0.00 178.16 177.49 1yel n SER 46 N -3.96 1.79 0.00 3.88 7.64 -1.26 -5.01 113.62 116.69 1yel n SER 46 Ca -0.02 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1yel n SER 46 Cb 0.54 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.64 0.52 3.80 0.23 0.00 -1.26 -5.14 105.19 104.98 1yel n GLY 47 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 2.92 -0.06 1.61 1.81 -1.26 -4.89 118.95 119.07 1yel s ARG 48 Ca 0.00 1.13 -0.04 0.00 -1.72 0.00 0.00 55.73 55.10 1yel s ARG 48 Cb 0.00 -1.98 0.03 0.00 -0.45 0.00 0.00 34.95 32.55 1yel s ARG 48 CO 0.00 -1.12 0.16 -1.12 -0.68 0.00 0.00 175.30 172.53 1yel s SER 49 N -3.25 -0.14 -0.24 0.23 0.01 -1.26 -1.69 113.70 107.35 1yel s SER 49 Ca 0.61 0.32 -0.03 0.00 1.31 0.00 0.00 55.95 58.16 1yel s SER 49 Cb -0.16 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1yel s SER 49 CO 0.48 -0.10 -0.03 0.26 0.41 0.00 0.00 173.24 174.25 1yel s TRP 50 N 0.67 3.02 -0.36 2.43 0.51 0.59 -4.91 118.94 120.89 1yel s TRP 50 Ca -0.05 -1.18 -0.24 0.00 -2.12 0.00 0.00 56.10 52.51 1yel s TRP 50 Cb -0.06 -2.11 0.01 0.00 -0.81 0.00 0.00 33.47 30.50 1yel s TRP 50 CO -0.03 -0.62 0.85 0.99 -0.51 0.00 0.00 176.95 177.62 1yel s THR 51 N 1.42 4.67 0.16 2.01 2.01 -1.26 0.05 115.64 124.70 1yel s THR 51 Ca 0.03 1.04 0.09 0.00 0.31 0.00 0.00 61.69 63.16 1yel s THR 51 Cb -0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1yel s THR 51 CO -0.03 -0.47 -0.19 0.54 -0.69 0.00 0.00 174.62 173.78 1yel s VAL 52 N 3.25 1.86 -0.27 3.82 0.11 0.11 -4.27 120.40 125.01 1yel s VAL 52 Ca 0.34 -1.88 -0.09 0.00 -2.93 0.00 0.00 61.98 57.43 1yel s VAL 52 Cb -0.13 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1yel s VAL 52 CO 0.17 -0.26 0.12 -0.13 -3.33 0.00 0.00 175.10 171.67 1yel s ARG 53 N -2.66 3.63 0.04 1.54 0.52 -1.00 0.42 118.95 121.44 1yel s ARG 53 Ca 0.15 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 1yel s ARG 53 Cb -0.07 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1yel s ARG 53 CO 0.07 -0.25 -0.07 1.41 0.02 0.00 0.00 175.30 176.48 1yel s MET 54 N 1.65 2.44 -0.02 3.54 1.75 -1.26 0.07 119.30 127.47 1yel s MET 54 Ca 0.06 -0.82 -0.00 0.00 -1.25 0.00 0.00 55.69 53.68 1yel s MET 54 Cb -0.16 -2.46 0.02 0.00 2.84 0.00 0.00 34.83 35.08 1yel s MET 54 CO 0.06 0.57 0.04 0.21 -0.65 0.00 0.00 175.02 175.25 1yel s LYS 55 N -1.74 -0.01 -0.48 4.11 2.47 -0.74 -4.52 119.74 118.82 1yel s LYS 55 Ca 0.19 0.17 -0.21 0.00 -1.56 0.00 0.00 55.97 54.56 1yel s LYS 55 Cb -0.11 -0.18 0.04 0.00 -1.46 0.00 0.00 37.83 36.12 1yel s LYS 55 CO 0.11 -0.13 0.71 0.15 0.16 0.00 0.00 175.35 176.35 1yel s LYS 56 N 0.84 3.25 -0.36 4.03 -0.14 -1.26 -2.80 119.74 123.29 1yel s LYS 56 Ca -0.07 -0.49 0.04 0.00 -1.36 0.00 0.00 55.97 54.09 1yel s LYS 56 Cb -0.10 -4.02 0.10 0.00 -1.68 0.00 0.00 37.83 32.14 1yel s LYS 56 CO -0.03 -1.18 0.08 0.50 -0.76 0.00 0.00 175.35 173.96 1yel s ARG 57 N 3.03 1.50 5.76 1.68 3.52 0.62 -4.67 118.95 130.38 1yel s ARG 57 Ca 0.22 -1.93 0.00 0.00 -0.13 0.00 0.00 55.73 53.89 1yel s ARG 57 Cb -0.15 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1yel s ARG 57 CO 0.17 -0.96 0.00 0.41 -0.81 0.00 0.00 175.30 174.11 1yel n GLY 58 N 4.14 1.47 0.54 8.12 0.00 -1.26 -1.80 105.19 116.40 1yel n GLY 58 Ca 0.04 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 1.20 -4.22 1.61 1.02 -1.26 -5.02 120.64 113.97 1yel n GLU 59 Ca 0.00 -1.43 -0.16 0.00 -0.02 0.00 0.00 57.16 55.55 1yel n GLU 59 Cb 0.00 -1.25 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 1yel n GLU 59 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1yel s LYS 60 N -1.02 0.97 -0.06 3.49 -2.85 -0.74 -4.89 119.74 114.63 1yel s LYS 60 Ca 0.17 -1.26 0.05 0.00 -1.00 0.00 0.00 55.97 53.93 1yel s LYS 60 Cb 0.11 -0.69 -0.01 0.00 -2.06 0.00 0.00 37.83 35.18 1yel s LYS 60 CO 0.16 0.11 -0.22 0.14 0.10 0.00 0.00 175.35 175.65 1yel s VAL 61 N -2.55 1.79 -0.04 1.79 -7.23 -1.26 -0.28 120.40 112.63 1yel s VAL 61 Ca 0.09 -0.91 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1yel s VAL 61 Cb -0.02 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.40 1yel s VAL 61 CO 0.01 0.50 0.10 0.12 -0.31 0.00 0.00 175.10 175.53 1yel s PHE 62 N 0.00 -0.11 -0.46 2.82 5.36 -1.12 -3.97 117.98 120.50 1yel s PHE 62 Ca -0.06 0.28 -0.22 0.00 -0.96 0.00 0.00 56.93 55.97 1yel s PHE 62 Cb -0.14 0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.61 1yel s PHE 62 CO 0.04 -0.06 0.71 -0.51 -1.46 0.00 0.00 175.22 173.95 1yel s LEU 63 N 0.09 4.44 0.00 6.12 1.02 0.04 -1.79 118.68 128.60 1yel s LEU 63 Ca -0.00 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.81 1yel s LEU 63 Cb -0.01 -2.78 0.00 0.00 0.02 0.00 0.00 46.19 43.42 1yel s LEU 63 CO -0.00 -0.88 0.00 0.35 0.02 0.00 0.00 176.35 175.84 1yel n THR 64 N 5.95 0.00 -1.68 5.49 -2.24 0.11 -0.94 114.28 120.96 1yel n THR 64 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1yel n THR 64 Cb 0.48 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 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 2.66 0.00 2.28 3.14 -1.26 -3.33 118.33 121.82 1yel n VAL 65 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1yel n VAL 65 Cb 0.00 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 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 0.89 2.94 0.31 7.55 0.00 -1.26 -2.37 105.19 113.26 1yel n GLY 66 Ca 0.08 -0.92 0.17 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.73 -1.55 115.95 117.19 1yel h TRP 67 Ca 0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 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 0.00 -0.12 1.49 -1.03 0.00 0.00 178.44 178.78 1yel h GLU 68 N 0.00 0.00 -0.53 2.65 4.81 -1.83 -0.82 114.58 118.86 1yel h GLU 68 Ca 0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1yel h GLU 68 Cb 0.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1yel h GLU 68 CO -0.00 0.12 0.07 -0.91 -0.73 0.00 0.00 179.01 177.56 1yel h ASN 69 N 0.00 0.80 0.00 1.04 4.21 -1.59 -0.94 115.58 119.11 1yel h ASN 69 Ca -0.00 -0.17 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 1yel h ASN 69 Cb 0.30 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1yel h ASN 69 CO 0.02 0.82 -0.00 0.15 -1.29 0.00 0.00 177.43 177.12 1yel h PHE 70 N 0.80 -0.01 -0.43 1.19 3.57 -1.32 0.72 116.94 121.46 1yel h PHE 70 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1yel h PHE 70 Cb 0.38 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1yel h PHE 70 CO 0.02 0.65 0.21 -0.24 -2.23 0.00 0.00 178.31 176.72 1yel h VAL 71 N -0.66 1.17 -0.21 1.41 3.04 -1.38 -2.39 116.25 117.23 1yel h VAL 71 Ca -0.00 -0.48 -0.17 0.00 -1.01 0.00 0.00 66.70 65.04 1yel h VAL 71 Cb 0.65 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1yel h VAL 71 CO 0.00 0.19 -0.53 0.11 -1.01 0.00 0.00 177.57 176.33 1yel h LYS 72 N 0.55 0.73 -0.81 4.17 1.57 -1.24 -1.31 116.57 120.23 1yel h LYS 72 Ca 0.15 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1yel h LYS 72 Cb 0.10 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1yel h LYS 72 CO -0.02 1.13 0.35 0.22 -0.57 0.00 0.00 179.45 180.56 1yel h ASP 73 N 0.45 1.10 0.66 0.86 3.58 -0.61 -2.08 116.42 120.38 1yel h ASP 73 Ca -0.01 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1yel h ASP 73 Cb 1.15 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1yel h ASP 73 CO 0.12 0.95 -0.73 0.59 -2.88 0.00 0.00 179.24 177.29 1yel n ASN 74 N -4.29 0.64 -3.01 2.28 5.03 -0.92 -5.00 115.26 109.98 1yel n ASN 74 Ca 0.08 -0.06 -0.15 0.00 0.87 0.00 0.00 54.58 55.31 1yel n ASN 74 Cb 0.17 0.38 0.02 0.00 -1.02 0.00 0.00 39.78 39.33 1yel n ASN 74 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1yel n ASN 75 N -1.95 -7.37 -4.15 6.41 5.15 -0.54 -5.04 115.26 107.77 1yel n ASN 75 Ca 0.03 0.36 -0.10 0.00 -0.60 0.00 0.00 54.58 54.27 1yel n ASN 75 Cb 0.42 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.06 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 -2.59 2.47 0.28 1.20 0.05 -0.94 -5.04 118.68 114.11 1yel s LEU 76 Ca 0.28 -0.94 -0.01 0.00 0.05 0.00 0.00 54.13 53.51 1yel s LEU 76 Cb -0.06 -0.05 -0.02 0.00 -2.05 0.00 0.00 46.19 44.00 1yel s LEU 76 CO 0.80 -0.45 0.31 -1.83 -0.55 0.00 0.00 176.35 174.63 1yel s GLU 77 N -3.54 1.60 0.37 1.48 -1.05 -1.26 -4.89 118.70 111.40 1yel s GLU 77 Ca 0.08 -1.73 -0.26 0.00 -0.15 0.00 0.00 54.97 52.92 1yel s GLU 77 Cb 0.04 0.36 -0.12 0.00 -0.44 0.00 0.00 34.13 33.96 1yel s GLU 77 CO -0.05 -0.61 1.01 -0.40 0.95 0.00 0.00 175.26 176.16 1yel n ASP 78 N -0.96 1.29 0.00 0.83 5.75 -1.26 -3.46 116.55 118.73 1yel n ASP 78 Ca 0.03 1.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.90 1yel n ASP 78 Cb 0.63 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 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 1.19 0.98 3.96 6.12 0.00 -1.26 -5.00 105.19 111.18 1yel n GLY 79 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 3.20 0.03 1.61 1.02 -1.22 -5.02 119.74 119.35 1yel s LYS 80 Ca 0.00 -0.56 0.05 0.00 0.02 0.00 0.00 55.97 55.48 1yel s LYS 80 Cb 0.00 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1yel s LYS 80 CO 0.00 -0.06 -0.15 0.71 -0.92 0.00 0.00 175.35 174.93 1yel s TYR 81 N -2.39 1.35 0.02 3.18 1.51 -1.24 -3.57 117.35 116.21 1yel s TYR 81 Ca 0.45 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 1yel s TYR 81 Cb -0.10 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1yel s TYR 81 CO 0.36 0.03 -0.06 -0.48 -1.11 0.00 0.00 175.55 174.29 1yel s LEU 82 N -0.94 2.15 -0.02 -1.29 0.05 -1.26 0.03 118.68 117.41 1yel s LEU 82 Ca 0.04 -0.35 0.03 0.00 0.05 0.00 0.00 54.13 53.90 1yel s LEU 82 Cb -0.07 -0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 43.87 1yel s LEU 82 CO 0.01 -0.11 -0.08 -1.10 -0.55 0.00 0.00 176.35 174.52 1yel s GLN 83 N -0.96 2.56 -0.26 1.48 -0.21 0.94 -3.34 119.66 119.87 1yel s GLN 83 Ca -0.06 -0.69 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 1yel s GLN 83 Cb -0.07 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 1yel s GLN 83 CO 0.00 0.62 0.05 -0.06 -2.12 0.00 0.00 175.29 173.77 1yel s PHE 84 N -0.92 3.09 -0.33 0.91 0.08 0.15 -1.20 117.98 119.76 1yel s PHE 84 Ca 0.15 -0.82 -0.13 0.00 0.12 0.00 0.00 56.93 56.25 1yel s PHE 84 Cb -0.11 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1yel s PHE 84 CO 0.05 -0.51 0.24 0.42 -0.10 0.00 0.00 175.22 175.32 1yel s ILE 85 N 1.52 5.28 -0.14 0.64 1.09 0.75 -1.08 121.20 129.26 1yel s ILE 85 Ca 0.04 -0.18 0.02 0.00 -1.10 0.00 0.00 60.65 59.43 1yel s ILE 85 Cb -0.16 -3.69 0.01 0.00 -1.06 0.00 0.00 42.46 37.55 1yel s ILE 85 CO 0.01 0.02 -0.21 -0.47 -0.10 0.00 0.00 174.94 174.19 1yel s TYR 86 N 1.73 2.68 0.30 3.97 5.04 0.11 -1.51 117.35 129.67 1yel s TYR 86 Ca 0.06 -1.32 0.09 0.00 -2.44 0.00 0.00 57.07 53.47 1yel s TYR 86 Cb -0.17 -1.83 -0.05 0.00 0.35 0.00 0.00 41.96 40.27 1yel s TYR 86 CO 0.11 -0.60 0.00 0.34 -1.34 0.00 0.00 175.55 174.06 1yel s ASP 87 N 0.82 4.37 -0.89 4.32 2.15 -1.26 0.14 116.67 126.32 1yel s ASP 87 Ca -0.07 -0.79 -0.25 0.00 0.43 0.00 0.00 52.55 51.87 1yel s ASP 87 Cb -0.15 -0.69 -0.08 0.00 -0.30 0.00 0.00 42.92 41.69 1yel s ASP 87 CO -0.02 -0.10 2.10 -0.13 -0.17 0.00 0.00 175.17 176.84 1yel s ARG 88 N -3.69 2.20 0.00 4.34 1.81 -1.26 -4.61 118.95 117.74 1yel s ARG 88 Ca 0.33 -0.11 0.00 0.00 -1.72 0.00 0.00 55.73 54.23 1yel s ARG 88 Cb -0.04 -4.98 0.00 0.00 -0.45 0.00 0.00 34.95 29.48 1yel s ARG 88 CO 0.20 -3.83 0.00 -3.47 -0.68 0.00 0.00 175.30 167.52 1yel n ASP 89 N 15.68 0.00 -0.88 0.23 -0.08 -1.26 -5.05 116.55 125.18 1yel n ASP 89 Ca 0.43 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.75 1yel n ASP 89 Cb 0.46 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.07 1yel n ASP 89 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1yel n ARG 90 N 0.00 1.28 -4.10 -0.67 1.74 -1.26 -5.03 116.66 108.62 1yel n ARG 90 Ca 0.00 -3.03 -0.15 0.00 -0.77 0.00 0.00 57.85 53.91 1yel n ARG 90 Cb 0.00 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 30.05 1yel n ARG 90 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1yel s THR 91 N -2.52 0.36 0.09 0.55 -1.32 -1.26 -3.44 115.64 108.10 1yel s THR 91 Ca 0.37 -0.31 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 1yel s THR 91 Cb 0.38 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 71.00 1yel s THR 91 CO -0.09 0.02 -0.17 -0.36 -2.21 0.00 0.00 174.62 171.82 1yel s PHE 92 N -0.29 2.58 -0.14 9.09 0.40 -0.44 -4.38 117.98 124.81 1yel s PHE 92 Ca -0.00 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1yel s PHE 92 Cb -0.03 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1yel s PHE 92 CO -0.00 0.36 -0.03 -0.47 0.70 0.00 0.00 175.22 175.78 1yel s TYR 93 N -1.10 3.04 -0.13 0.36 5.04 -0.57 -1.58 117.35 122.41 1yel s TYR 93 Ca 0.18 -0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.59 1yel s TYR 93 Cb -0.11 -1.93 -0.02 0.00 0.35 0.00 0.00 41.96 40.25 1yel s TYR 93 CO 0.09 0.05 -0.10 0.08 -1.34 0.00 0.00 175.55 174.33 1yel s VAL 94 N 0.16 3.36 -0.30 3.14 1.01 -1.25 -0.18 120.40 126.35 1yel s VAL 94 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1yel s VAL 94 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1yel s VAL 94 CO 0.03 0.52 0.12 -0.63 0.00 0.00 0.00 175.10 175.13 1yel s ILE 95 N 0.27 4.37 -0.11 2.22 1.01 -0.34 -4.91 121.20 123.70 1yel s ILE 95 Ca -0.07 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1yel s ILE 95 Cb -0.15 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1yel s ILE 95 CO 0.04 0.12 0.13 -0.63 0.00 0.00 0.00 174.94 174.60 1yel s ILE 96 N 1.58 5.38 -0.35 2.92 1.01 -1.26 -0.04 121.20 130.44 1yel s ILE 96 Ca 0.04 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 1yel s ILE 96 Cb -0.17 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1yel s ILE 96 CO 0.05 0.61 0.18 -0.31 0.00 0.00 0.00 174.94 175.47 1yel s TYR 97 N -1.03 3.21 0.00 3.97 1.51 0.10 -4.86 117.35 120.26 1yel s TYR 97 Ca 0.15 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 1yel s TYR 97 Cb -0.12 -2.41 0.00 0.00 -0.11 0.00 0.00 41.96 39.33 1yel s TYR 97 CO 0.04 -0.56 0.00 0.41 -1.11 0.00 0.00 175.55 174.33 1yel n GLY 98 N 4.99 -0.27 0.12 0.71 0.00 -1.26 -3.70 105.19 105.78 1yel n GLY 98 Ca -0.13 0.41 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 1yel n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yel n HIS 99 N 0.00 0.16 -1.71 1.61 -0.00 -1.26 -5.10 115.22 108.92 1yel n HIS 99 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1yel n HIS 99 Cb 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 29.99 28.97 1yel n HIS 99 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1yel n ASN 100 N -3.17 -6.60 -4.41 0.26 4.13 -1.26 -5.04 115.26 99.16 1yel n ASN 100 Ca -0.41 1.06 -0.29 0.00 1.68 0.00 0.00 54.58 56.62 1yel n ASN 100 Cb 1.03 -3.60 0.15 0.00 -1.54 0.00 0.00 39.78 35.82 1yel n ASN 100 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yel s MET 101 N -1.28 1.14 0.00 3.52 0.23 -1.26 -5.21 119.30 116.44 1yel s MET 101 Ca 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 55.69 54.31 1yel s MET 101 Cb 0.00 -1.94 0.00 0.00 -1.53 0.00 0.00 34.83 31.36 1yel s MET 101 CO 0.00 -2.06 0.00 0.00 -2.03 0.00 0.00 175.02 170.93