#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbr h GLY 2 N 0.00 0.00 -0.02 8.31 0.00 -2.06 -3.47 103.07 105.84 1tbr h GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tbr h GLY 2 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1tbr n GLY 3 N 0.50 1.40 0.25 4.60 0.00 -1.26 -5.00 105.19 105.68 1tbr n GLY 3 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.78 1tbr n GLY 3 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1tbr h GLU 4 N 0.00 0.19 -0.65 1.61 4.81 -1.99 -2.21 114.58 116.34 1tbr h GLU 4 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1tbr h GLU 4 Cb 0.35 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1tbr h GLU 4 CO 0.00 0.27 0.00 -2.30 -0.73 0.00 0.00 179.01 176.25 1tbr n PRO 5 N -4.36 4.05 -0.02 0.92 -0.02 -1.26 -3.87 135.00 130.44 1tbr n PRO 5 Ca -0.01 -2.59 0.01 0.00 -2.02 0.00 0.00 63.50 58.89 1tbr n PRO 5 Cb 0.20 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1tbr n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tbr s ALA 7 N -0.71 3.19 0.09 0.00 0.00 -1.23 -4.99 121.76 118.12 1tbr s ALA 7 Ca 0.03 -2.01 0.10 0.00 0.00 0.00 0.00 51.96 50.08 1tbr s ALA 7 Cb 0.02 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1tbr s ALA 7 CO 0.03 -2.73 -0.25 0.00 0.00 0.00 0.00 175.76 172.81 1tbr s PRO 9 N -1.72 4.36 0.00 0.00 0.04 -1.26 -4.90 135.00 131.51 1tbr s PRO 9 Ca 0.12 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 1tbr s PRO 9 Cb -0.10 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.34 1tbr s PRO 9 CO 0.04 -0.11 2.38 0.72 0.04 0.00 0.00 177.00 180.08 1tbr n HIS 10 N 0.73 0.00 -4.16 0.56 8.25 -1.26 -4.91 115.22 114.43 1tbr n HIS 10 Ca 0.01 -1.08 -0.29 0.00 -0.26 0.00 0.00 57.72 56.09 1tbr n HIS 10 Cb 0.44 -0.84 -0.08 0.00 1.12 0.00 0.00 29.99 30.62 1tbr n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tbr s ALA 11 N 0.52 3.22 0.05 -1.41 0.00 -1.26 -5.11 121.76 117.77 1tbr s ALA 11 Ca 0.22 -1.21 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 1tbr s ALA 11 Cb 0.10 -1.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 1tbr s ALA 11 CO 0.00 0.63 0.55 -0.51 0.00 0.00 0.00 175.76 176.43 1tbr s LEU 12 N -2.48 4.51 -0.37 0.00 1.43 -1.26 -4.59 118.68 115.91 1tbr s LEU 12 Ca 0.26 1.21 0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1tbr s LEU 12 Cb -0.11 -2.86 0.29 0.00 0.03 0.00 0.00 46.19 43.54 1tbr s LEU 12 CO 0.18 0.26 1.25 1.57 0.23 0.00 0.00 176.35 179.84 1tbr n HIS 13 N 1.88 -1.41 -1.55 0.29 -0.00 0.83 -4.98 115.22 110.28 1tbr n HIS 13 Ca -0.10 -1.30 -0.47 0.00 0.46 0.00 0.00 57.72 56.30 1tbr n HIS 13 Cb 0.51 1.37 -0.03 0.00 -0.12 0.00 0.00 29.99 31.72 1tbr n HIS 13 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1tbr n ARG 14 N 0.13 0.97 -4.13 1.57 1.74 0.06 -4.03 116.66 112.96 1tbr n ARG 14 Ca -0.06 0.34 -0.11 0.00 -0.77 0.00 0.00 57.85 57.25 1tbr n ARG 14 Cb 0.73 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1tbr n ARG 14 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1tbr s VAL 15 N -0.70 0.63 -0.37 1.55 -7.23 -0.54 -1.65 120.40 112.09 1tbr s VAL 15 Ca 0.66 -1.64 -0.14 0.00 -1.81 0.00 0.00 61.98 59.05 1tbr s VAL 15 Cb -0.82 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1tbr s VAL 15 CO 0.56 -0.71 0.28 0.00 -0.31 0.00 0.00 175.10 174.93 1tbr s GLY 17 N 1.71 2.39 0.00 0.00 0.00 -0.38 -1.67 107.32 109.38 1tbr s GLY 17 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1tbr s GLY 17 CO 0.11 0.07 0.83 -1.14 0.00 0.00 0.00 173.10 172.97 1tbr n SER 18 N 0.35 0.00 0.29 1.64 3.41 0.14 0.27 113.62 119.72 1tbr n SER 18 Ca -0.02 0.35 0.16 0.00 -0.26 0.00 0.00 58.87 59.09 1tbr n SER 18 Cb 0.52 -0.35 0.90 0.00 -0.26 0.00 0.00 64.21 65.02 1tbr n SER 18 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1tbr h ASP 19 N 0.00 0.00 0.00 4.04 3.58 -1.92 -3.45 116.42 118.67 1tbr h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1tbr h ASP 19 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1tbr h ASP 19 CO 0.00 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 1tbr n GLY 20 N -0.95 0.91 3.30 -0.78 0.00 0.14 -5.08 105.19 102.74 1tbr n GLY 20 Ca -0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1tbr n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tbr s GLU 21 N -0.79 1.21 -0.07 1.61 2.02 -1.14 -4.95 118.70 116.59 1tbr s GLU 21 Ca 0.00 -1.48 -0.28 0.00 0.02 0.00 0.00 54.97 53.23 1tbr s GLU 21 Cb 0.00 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.23 1tbr s GLU 21 CO 0.00 0.16 0.93 0.99 0.02 0.00 0.00 175.26 177.37 1tbr s THR 22 N -2.84 4.86 -0.17 3.63 2.01 -1.26 -1.24 115.64 120.62 1tbr s THR 22 Ca 0.18 1.91 -0.05 0.00 0.31 0.00 0.00 61.69 64.04 1tbr s THR 22 Cb -0.01 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1tbr s THR 22 CO 0.05 0.10 0.01 -0.31 -0.69 0.00 0.00 174.62 173.78 1tbr s TYR 23 N 1.49 3.12 0.32 4.92 2.02 0.25 -4.95 117.35 124.51 1tbr s TYR 23 Ca 0.47 -0.17 0.06 0.00 -0.37 0.00 0.00 57.07 57.05 1tbr s TYR 23 Cb -0.19 -2.03 0.87 0.00 -0.40 0.00 0.00 41.96 40.21 1tbr s TYR 23 CO 0.21 0.00 1.59 0.77 -1.57 0.00 0.00 175.55 176.56 1tbr h SER 24 N 6.85 -0.18 -5.02 2.29 0.02 -1.90 -1.43 113.55 114.17 1tbr h SER 24 Ca -0.34 0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1tbr h SER 24 Cb 1.18 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 64.06 1tbr h SER 24 CO 0.65 -0.32 0.21 0.54 -1.14 0.00 0.00 176.83 176.78 1tbr s ASN 25 N -4.93 -0.18 0.36 3.07 2.20 -1.26 -0.12 114.94 114.09 1tbr s ASN 25 Ca -0.12 -0.76 0.05 0.00 -0.94 0.00 0.00 52.86 51.10 1tbr s ASN 25 Cb 0.29 0.75 0.73 0.00 -2.00 0.00 0.00 41.25 41.02 1tbr s ASN 25 CO 0.78 -1.41 1.98 -0.65 -2.94 0.00 0.00 177.10 174.86 1tbr h PRO 26 N 2.02 0.73 0.10 3.55 0.11 -1.85 -2.84 132.00 133.82 1tbr h PRO 26 Ca -0.22 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1tbr h PRO 26 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1tbr h PRO 26 CO 0.28 0.48 -0.05 0.00 -0.21 0.00 0.00 178.00 178.50 1tbr h THR 28 N -0.28 1.02 -0.09 0.00 1.35 -1.87 0.15 112.91 113.19 1tbr h THR 28 Ca -0.01 -0.30 0.04 0.00 -0.55 0.00 0.00 66.41 65.59 1tbr h THR 28 Cb 0.24 0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 66.67 1tbr h THR 28 CO 0.02 0.16 -0.22 0.25 -0.25 0.00 0.00 175.52 175.48 1tbr h LEU 29 N 0.88 -0.67 -0.78 3.87 6.46 -1.29 -1.33 115.31 122.45 1tbr h LEU 29 Ca 0.35 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 58.26 1tbr h LEU 29 Cb 0.17 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 1tbr h LEU 29 CO -0.17 -0.28 0.48 -1.13 -0.62 0.00 0.00 178.44 176.72 1tbr h ASN 30 N -0.30 0.77 0.01 1.25 -0.73 0.08 -0.90 115.58 115.75 1tbr h ASN 30 Ca 0.09 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 1tbr h ASN 30 Cb 0.43 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1tbr h ASN 30 CO -0.27 0.51 -0.07 0.00 -0.37 0.00 0.00 177.43 177.23 1tbr h ALA 32 N 1.77 0.06 -0.34 0.00 0.00 -0.44 -1.28 119.26 119.03 1tbr h ALA 32 Ca 0.04 -0.76 0.10 0.00 0.00 0.00 0.00 54.91 54.28 1tbr h ALA 32 Cb 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1tbr h ALA 32 CO 0.01 0.72 0.35 -0.22 0.00 0.00 0.00 179.25 180.10 1tbr h LYS 33 N 0.28 0.00 0.00 0.00 3.11 -0.71 -2.46 116.57 116.79 1tbr h LYS 33 Ca -0.17 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 1tbr h LYS 33 Cb 1.85 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.08 1tbr h LYS 33 CO 0.22 0.00 -0.12 0.74 -2.81 0.00 0.00 179.45 177.48 1tbr h PHE 34 N 0.00 0.00 -0.23 1.91 0.04 -1.38 -1.89 116.94 115.39 1tbr h PHE 34 Ca 0.16 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.34 1tbr h PHE 34 Cb 0.85 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1tbr h PHE 34 CO 0.00 0.00 2.14 0.09 -0.60 0.00 0.00 178.31 179.94 1tbr n ASN 35 N -2.86 3.23 0.00 2.17 3.02 -0.49 -4.35 115.26 115.99 1tbr n ASN 35 Ca -0.02 -2.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1tbr n ASN 35 Cb 0.06 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.78 1tbr n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tbr n GLY 36 N 4.88 1.02 3.37 7.41 0.00 -1.03 -4.66 105.19 116.18 1tbr n GLY 36 Ca 0.49 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1tbr n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tbr s LYS 37 N 0.00 3.59 0.41 1.61 3.01 -0.95 -4.91 119.74 122.50 1tbr s LYS 37 Ca 0.00 -2.21 0.26 0.00 -1.01 0.00 0.00 55.97 53.01 1tbr s LYS 37 Cb 0.00 -4.59 1.41 0.00 -1.01 0.00 0.00 37.83 33.64 1tbr s LYS 37 CO 0.00 -1.46 1.78 -1.35 0.51 0.00 0.00 175.35 174.84 1tbr h PRO 38 N 8.16 0.00 -0.35 -1.68 0.11 -1.58 -0.39 132.00 136.26 1tbr h PRO 38 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1tbr h PRO 38 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1tbr h PRO 38 CO 0.88 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 1tbr n GLU 39 N -2.44 2.88 -2.13 1.05 1.02 -1.26 -4.95 120.64 114.82 1tbr n GLU 39 Ca -0.02 -2.13 -0.41 0.00 -0.02 0.00 0.00 57.16 54.58 1tbr n GLU 39 Cb 0.09 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1tbr n GLU 39 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1tbr s LEU 40 N -1.14 4.40 0.00 -4.62 2.96 -0.16 -5.02 118.68 115.11 1tbr s LEU 40 Ca 0.25 2.48 -0.05 0.00 -0.22 0.00 0.00 54.13 56.60 1tbr s LEU 40 Cb 0.14 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.22 1tbr s LEU 40 CO 0.16 -0.62 0.08 -0.69 -1.32 0.00 0.00 176.35 173.96 1tbr s VAL 41 N 0.30 0.08 0.06 1.68 1.01 -1.26 -4.90 120.40 117.37 1tbr s VAL 41 Ca 0.60 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1tbr s VAL 41 Cb -0.39 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1tbr s VAL 41 CO 0.38 -0.37 1.16 -0.75 0.00 0.00 0.00 175.10 175.51 1tbr s LYS 42 N -1.24 4.46 -0.27 2.72 2.36 -1.26 0.26 119.74 126.77 1tbr s LYS 42 Ca -0.13 1.71 -0.12 0.00 -2.55 0.00 0.00 55.97 54.87 1tbr s LYS 42 Cb -0.08 -3.36 -0.12 0.00 -1.05 0.00 0.00 37.83 33.23 1tbr s LYS 42 CO 0.01 -0.20 -0.34 1.33 1.55 0.00 0.00 175.35 177.70 1tbr n VAL 43 N 3.83 1.47 -4.02 4.02 0.24 -0.67 -4.88 118.33 118.32 1tbr n VAL 43 Ca 0.08 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 1tbr n VAL 43 Cb 0.47 -1.83 -0.06 0.00 -1.47 0.00 0.00 33.84 30.95 1tbr n VAL 43 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1tbr s HIS 44 N -2.49 0.50 0.83 6.34 -3.43 -1.18 -5.03 115.29 110.82 1tbr s HIS 44 Ca -0.37 -0.83 -0.06 0.00 -0.80 0.00 0.00 55.06 53.00 1tbr s HIS 44 Cb 0.14 0.01 0.17 0.00 -1.43 0.00 0.00 32.58 31.48 1tbr s HIS 44 CO 0.48 -0.87 1.13 -0.25 -2.00 0.00 0.00 174.74 173.22 1tbr n ASP 45 N -0.33 0.93 -0.83 7.38 9.92 -1.26 0.68 116.55 133.04 1tbr n ASP 45 Ca -0.02 -1.92 0.10 0.00 -0.53 0.00 0.00 54.79 52.41 1tbr n ASP 45 Cb 0.63 -0.78 -0.05 0.00 -0.64 0.00 0.00 41.12 40.27 1tbr n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tbr n GLY 46 N -3.12 -3.00 3.71 0.44 0.00 -0.66 -4.34 105.19 98.23 1tbr n GLY 46 Ca 0.17 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1tbr n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tbr s PRO 47 N -3.65 1.89 0.21 1.61 0.04 -1.26 -2.64 135.00 131.20 1tbr s PRO 47 Ca 0.00 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 62.62 1tbr s PRO 47 Cb 0.00 -1.81 0.16 0.00 0.04 0.00 0.00 34.50 32.89 1tbr s PRO 47 CO 0.00 -2.01 1.88 0.00 0.04 0.00 0.00 177.00 176.91 1tbr s GLU 49 N -6.14 2.91 0.52 0.00 2.12 -1.26 -5.08 118.70 111.78 1tbr s GLU 49 Ca -0.13 -0.81 -0.19 0.00 0.36 0.00 0.00 54.97 54.20 1tbr s GLU 49 Cb 0.15 -2.39 -0.11 0.00 0.26 0.00 0.00 34.13 32.04 1tbr s GLU 49 CO 0.78 -0.07 0.35 -2.30 -0.54 0.00 0.00 175.26 173.49 1tbr n PRO 50 N 4.22 0.38 -2.39 4.30 -0.02 -1.26 -4.92 135.00 135.31 1tbr n PRO 50 Ca -0.20 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.02 1tbr n PRO 50 Cb 0.51 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 32.49 1tbr n PRO 50 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tbr s ASP 51 N -1.09 7.12 -0.27 2.55 -1.08 -1.26 -4.94 116.67 117.70 1tbr s ASP 51 Ca 0.65 2.25 -0.28 0.00 -0.52 0.00 0.00 52.55 54.64 1tbr s ASP 51 Cb -0.49 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.33 1tbr s ASP 51 CO 0.58 -0.32 1.98 -1.61 0.52 0.00 0.00 175.17 176.32 1tbr s GLU 52 N -0.54 3.27 -0.26 4.34 2.02 -1.26 -4.93 118.70 121.34 1tbr s GLU 52 Ca 0.51 1.72 -0.24 0.00 0.02 0.00 0.00 54.97 56.98 1tbr s GLU 52 Cb -0.33 -4.27 -0.00 0.00 0.10 0.00 0.00 34.13 29.63 1tbr s GLU 52 CO 0.38 -1.93 0.80 -0.51 0.02 0.00 0.00 175.26 174.02 1tbr s ASP 53 N 6.99 6.76 0.60 -0.19 1.01 -1.26 -5.06 116.67 125.52 1tbr s ASP 53 Ca 0.89 0.91 -0.01 0.00 0.71 0.00 0.00 52.55 55.05 1tbr s ASP 53 Cb -0.28 -2.42 0.03 0.00 1.01 0.00 0.00 42.92 41.26 1tbr s ASP 53 CO 0.34 -0.53 0.17 1.21 0.21 0.00 0.00 175.17 176.57 1tbr n GLU 54 N 6.05 0.29 -2.89 8.23 2.13 -1.26 -4.98 120.64 128.21 1tbr n GLU 54 Ca 0.05 -0.40 -0.44 0.00 0.66 0.00 0.00 57.16 57.03 1tbr n GLU 54 Cb 0.48 -0.14 -0.03 0.00 0.27 0.00 0.00 31.44 32.02 1tbr n GLU 54 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1tbr s ASP 55 N -1.68 6.61 0.11 4.31 2.15 -1.26 -4.87 116.67 122.04 1tbr s ASP 55 Ca 0.11 -1.98 -0.24 0.00 0.43 0.00 0.00 52.55 50.87 1tbr s ASP 55 Cb -0.01 -2.42 -0.09 0.00 -0.30 0.00 0.00 42.92 40.11 1tbr s ASP 55 CO 0.07 -1.11 1.69 0.58 -0.17 0.00 0.00 175.17 176.24 1tbr h VAL 56 N 5.93 0.73 0.00 1.11 2.07 -2.01 -2.79 116.25 121.30 1tbr h VAL 56 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1tbr h VAL 56 Cb 1.02 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1tbr h VAL 56 CO 1.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.73 1tbr n GLN 58 N -0.91 0.00 0.13 0.00 7.27 -1.05 -0.20 117.38 122.63 1tbr n GLN 58 Ca 0.18 0.80 0.13 0.00 0.07 0.00 0.00 57.00 58.18 1tbr n GLN 58 Cb 0.08 -1.88 0.39 0.00 2.41 0.00 0.00 30.24 31.24 1tbr n GLN 58 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1tbr h GLU 59 N 0.00 0.00 0.00 3.69 5.08 -1.86 -3.02 114.58 118.47 1tbr h GLU 59 Ca 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1tbr h GLU 59 Cb 2.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.96 1tbr h GLU 59 CO -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1tbr n ASP 61 N -1.92 3.50 0.00 0.00 8.00 -1.15 -1.89 116.55 123.09 1tbr n ASP 61 Ca 0.06 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1tbr n ASP 61 Cb 0.35 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 1tbr n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tbr n GLY 62 N 3.73 0.76 3.78 0.44 0.00 -1.26 -5.05 105.19 107.59 1tbr n GLY 62 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1tbr n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tbr s ASP 63 N -2.83 6.76 0.41 1.61 1.11 -0.79 -5.00 116.67 117.94 1tbr s ASP 63 Ca 0.00 2.11 -0.27 0.00 0.18 0.00 0.00 52.55 54.57 1tbr s ASP 63 Cb 0.00 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.30 1tbr s ASP 63 CO 0.00 -0.49 1.44 -0.70 1.18 0.00 0.00 175.17 176.59 1tbr s GLU 64 N -2.36 3.90 -0.57 8.23 2.12 -1.26 -4.93 118.70 123.83 1tbr s GLU 64 Ca 0.56 2.45 -0.28 0.00 0.36 0.00 0.00 54.97 58.07 1tbr s GLU 64 Cb -0.24 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.36 1tbr s GLU 64 CO 0.31 -0.66 1.38 -0.47 -0.54 0.00 0.00 175.26 175.28 1tbr s TYR 65 N -1.17 2.33 -0.43 5.30 5.04 -1.26 -4.65 117.35 122.50 1tbr s TYR 65 Ca 0.57 0.45 0.04 0.00 -2.44 0.00 0.00 57.07 55.69 1tbr s TYR 65 Cb -0.44 -4.42 0.17 0.00 0.35 0.00 0.00 41.96 37.62 1tbr s TYR 65 CO 0.58 -1.92 0.35 0.15 -1.34 0.00 0.00 175.55 173.37 1tbr s LYS 66 N 5.43 1.02 0.42 4.97 -0.14 0.11 -5.02 119.74 126.53 1tbr s LYS 66 Ca 0.50 -2.19 -0.24 0.00 -1.36 0.00 0.00 55.97 52.68 1tbr s LYS 66 Cb -0.10 -1.57 -0.11 0.00 -1.68 0.00 0.00 37.83 34.37 1tbr s LYS 66 CO 0.25 -1.38 0.99 -0.35 -0.76 0.00 0.00 175.35 174.10 1tbr n PRO 67 N 2.80 1.30 -4.01 -1.68 -0.04 -0.72 -3.74 135.00 128.92 1tbr n PRO 67 Ca 0.29 0.47 -0.11 0.00 -0.04 0.00 0.00 63.50 64.10 1tbr n PRO 67 Cb 0.47 -2.01 -0.12 0.00 -0.04 0.00 0.00 33.50 31.80 1tbr n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1tbr s VAL 68 N -1.28 0.26 -0.25 0.52 1.01 -0.03 -0.94 120.40 119.68 1tbr s VAL 68 Ca 0.63 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1tbr s VAL 68 Cb -0.56 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1tbr s VAL 68 CO 0.57 -0.36 0.08 0.00 0.00 0.00 0.00 175.10 175.38 1tbr s GLY 70 N 1.62 1.76 0.22 0.00 0.00 -0.75 -0.62 107.32 109.54 1tbr s GLY 70 Ca 0.06 -1.26 0.12 0.00 0.00 0.00 0.00 44.72 43.65 1tbr s GLY 70 CO 0.04 -1.00 1.30 -1.14 0.00 0.00 0.00 173.10 172.30 1tbr n SER 71 N -2.26 0.31 -0.77 1.64 3.41 0.71 -1.12 113.62 115.54 1tbr n SER 71 Ca 0.06 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 1tbr n SER 71 Cb 0.59 -0.59 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 1tbr n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1tbr n ASP 72 N -1.92 2.30 -3.29 4.04 5.75 -1.26 -4.93 116.55 117.24 1tbr n ASP 72 Ca -0.01 -1.83 -0.17 0.00 -0.01 0.00 0.00 54.79 52.77 1tbr n ASP 72 Cb 0.14 -0.16 0.08 0.00 -1.03 0.00 0.00 41.12 40.15 1tbr n ASP 72 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1tbr n ASP 73 N 0.74 -2.94 -4.02 -1.12 8.00 -0.28 -5.02 116.55 111.92 1tbr n ASP 73 Ca 0.17 -0.56 -0.20 0.00 0.71 0.00 0.00 54.79 54.91 1tbr n ASP 73 Cb 0.42 -4.79 -0.15 0.00 -0.02 0.00 0.00 41.12 36.58 1tbr n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1tbr s ILE 74 N -3.33 0.82 0.05 0.53 1.01 -1.25 -5.00 121.20 114.03 1tbr s ILE 74 Ca 0.12 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 1tbr s ILE 74 Cb -0.05 -0.71 -0.06 0.00 0.01 0.00 0.00 42.46 41.64 1tbr s ILE 74 CO 0.68 0.25 0.56 -0.89 0.00 0.00 0.00 174.94 175.54 1tbr s THR 75 N 0.07 4.79 0.04 2.92 2.01 -1.26 -1.81 115.64 122.40 1tbr s THR 75 Ca -0.01 1.19 0.09 0.00 0.31 0.00 0.00 61.69 63.27 1tbr s THR 75 Cb -0.07 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1tbr s THR 75 CO 0.00 0.53 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.90 1tbr s TYR 76 N -0.92 2.24 0.44 4.92 2.02 0.31 -4.95 117.35 121.41 1tbr s TYR 76 Ca 0.29 -0.41 0.13 0.00 -0.37 0.00 0.00 57.07 56.71 1tbr s TYR 76 Cb -0.19 -1.35 1.04 0.00 -0.40 0.00 0.00 41.96 41.05 1tbr s TYR 76 CO 0.18 0.10 2.02 -0.44 -1.57 0.00 0.00 175.55 175.84 1tbr h ASP 77 N 4.91 0.33 -5.20 2.29 3.32 -1.87 -0.04 116.42 120.15 1tbr h ASP 77 Ca -0.45 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.66 1tbr h ASP 77 Cb 1.14 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1tbr h ASP 77 CO 0.44 0.21 0.43 0.54 -1.72 0.00 0.00 179.24 179.15 1tbr s ASN 78 N -6.46 0.03 0.07 6.45 2.20 -1.25 0.06 114.94 116.05 1tbr s ASN 78 Ca -0.07 -0.97 -0.25 0.00 -0.94 0.00 0.00 52.86 50.63 1tbr s ASN 78 Cb 0.19 0.69 -0.16 0.00 -2.00 0.00 0.00 41.25 39.97 1tbr s ASN 78 CO 0.73 -1.38 1.65 0.78 -2.94 0.00 0.00 177.10 175.94 1tbr h ASN 79 N 2.00 -0.14 -1.00 3.54 2.35 -1.89 -2.82 115.58 117.61 1tbr h ASN 79 Ca -0.31 -0.05 0.33 0.00 -0.55 0.00 0.00 56.30 55.72 1tbr h ASN 79 Cb 1.23 0.04 -0.15 0.00 0.05 0.00 0.00 38.32 39.49 1tbr h ASN 79 CO 0.40 -0.04 0.56 0.00 -1.65 0.00 0.00 177.43 176.70 1tbr h ARG 81 N 0.28 0.93 0.76 0.00 2.47 -1.89 -1.80 114.38 115.13 1tbr h ARG 81 Ca 0.75 -0.51 -0.04 0.00 -1.26 0.00 0.00 59.98 58.92 1tbr h ARG 81 Cb 1.75 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 30.10 1tbr h ARG 81 CO -0.63 1.17 -0.38 1.25 0.56 0.00 0.00 179.97 181.94 1tbr h LEU 82 N 0.74 -0.91 -0.59 3.04 5.85 0.09 -1.43 115.31 122.10 1tbr h LEU 82 Ca 0.05 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.92 1tbr h LEU 82 Cb 1.03 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 1tbr h LEU 82 CO 0.10 -0.64 0.07 -0.33 -0.34 0.00 0.00 178.44 177.31 1tbr h GLU 83 N -1.04 0.18 -0.49 1.25 4.39 -1.19 -1.11 114.58 116.58 1tbr h GLU 83 Ca -0.10 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1tbr h GLU 83 Cb 0.81 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1tbr h GLU 83 CO 0.16 0.12 0.15 0.00 -1.16 0.00 0.00 179.01 178.28 1tbr h ALA 85 N 1.46 1.17 0.00 0.00 0.00 -0.09 -2.87 119.26 118.93 1tbr h ALA 85 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1tbr h ALA 85 Cb 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tbr h ALA 85 CO -0.01 0.54 -0.03 0.66 0.00 0.00 0.00 179.25 180.41 1tbr h SER 86 N 0.00 0.00 -0.20 0.00 4.64 -1.08 0.36 113.55 117.27 1tbr h SER 86 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1tbr h SER 86 Cb 0.82 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.85 1tbr h SER 86 CO 0.06 0.03 -0.21 2.30 -0.87 0.00 0.00 176.83 178.13 1tbr n ILE 87 N -3.47 2.37 0.00 0.95 -6.64 -1.09 -0.36 119.36 111.11 1tbr n ILE 87 Ca -0.02 -2.82 0.00 0.00 -1.77 0.00 0.00 62.75 58.13 1tbr n ILE 87 Cb 0.13 -0.28 0.00 0.00 -1.44 0.00 0.00 39.64 38.05 1tbr n ILE 87 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1tbr n SER 88 N -1.11 0.00 0.31 7.28 3.41 -0.19 -4.98 113.62 118.34 1tbr n SER 88 Ca 0.26 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.06 1tbr n SER 88 Cb 0.88 0.00 1.04 0.00 -0.26 0.00 0.00 64.21 65.87 1tbr n SER 88 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1tbr h SER 89 N 0.00 0.00 -1.63 4.04 4.64 -1.77 -3.31 113.55 115.52 1tbr h SER 89 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1tbr h SER 89 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1tbr h SER 89 CO 0.00 0.01 -0.80 -0.24 -0.87 0.00 0.00 176.83 174.94 1tbr n SER 90 N -3.41 -1.58 -4.63 4.97 2.88 0.11 -5.04 113.62 106.93 1tbr n SER 90 Ca -0.03 -2.69 -0.52 0.00 -1.33 0.00 0.00 58.87 54.30 1tbr n SER 90 Cb 0.10 0.41 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1tbr n SER 90 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1tbr n PRO 91 N 2.52 1.35 -1.04 -1.46 -0.02 -1.18 -1.70 135.00 133.46 1tbr n PRO 91 Ca 0.23 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.18 1tbr n PRO 91 Cb 0.53 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1tbr n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tbr n GLY 92 N 3.10 0.47 3.77 -1.23 0.00 0.51 -4.94 105.19 106.88 1tbr n GLY 92 Ca 0.20 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1tbr n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tbr s VAL 93 N -1.84 2.33 0.14 1.61 0.11 -0.69 -5.01 120.40 117.05 1tbr s VAL 93 Ca 0.00 0.33 0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1tbr s VAL 93 Cb 0.00 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.60 1tbr s VAL 93 CO 0.00 0.08 -0.03 -1.83 -3.33 0.00 0.00 175.10 169.98 1tbr s GLU 94 N -1.87 1.00 0.10 1.54 -1.05 -1.26 -4.65 118.70 112.52 1tbr s GLU 94 Ca 0.52 -1.45 -0.31 0.00 -0.15 0.00 0.00 54.97 53.58 1tbr s GLU 94 Cb -0.44 -0.29 -0.08 0.00 -0.44 0.00 0.00 34.13 32.88 1tbr s GLU 94 CO 0.58 -0.07 1.55 -1.17 0.95 0.00 0.00 175.26 177.10 1tbr s LEU 95 N -3.13 4.36 -0.09 1.83 2.96 -1.26 -0.21 118.68 123.15 1tbr s LEU 95 Ca 0.19 2.45 -0.09 0.00 -0.22 0.00 0.00 54.13 56.45 1tbr s LEU 95 Cb 0.05 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 1tbr s LEU 95 CO 0.00 -0.81 -0.18 1.17 -1.32 0.00 0.00 176.35 175.22 1tbr n LYS 96 N 4.79 0.27 -3.92 1.98 4.81 0.21 -4.75 118.16 121.55 1tbr n LYS 96 Ca 0.14 0.11 -0.09 0.00 -0.87 0.00 0.00 58.31 57.60 1tbr n LYS 96 Cb 0.41 -0.97 -0.08 0.00 0.02 0.00 0.00 35.03 34.40 1tbr n LYS 96 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1tbr s HIS 97 N -1.99 0.23 0.51 5.64 -3.43 -0.80 -5.02 115.29 110.44 1tbr s HIS 97 Ca -0.15 -0.67 -0.17 0.00 -0.80 0.00 0.00 55.06 53.27 1tbr s HIS 97 Cb 0.02 -0.14 -0.08 0.00 -1.43 0.00 0.00 32.58 30.95 1tbr s HIS 97 CO 0.22 -0.48 0.99 -1.21 -2.00 0.00 0.00 174.74 172.26 1tbr s GLU 98 N -3.67 3.91 0.00 -0.38 0.41 -1.26 -0.45 118.70 117.26 1tbr s GLU 98 Ca 0.04 1.02 0.00 0.00 -0.41 0.00 0.00 54.97 55.62 1tbr s GLU 98 Cb 0.05 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 1tbr s GLU 98 CO -0.10 -0.31 0.00 0.41 -0.49 0.00 0.00 175.26 174.77 1tbr n GLY 99 N -1.34 -1.38 3.50 -1.39 0.00 -0.12 -4.71 105.19 99.76 1tbr n GLY 99 Ca 0.07 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 1tbr n GLY 99 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tbr n PRO 100 N -1.52 -0.29 -2.36 1.61 -0.02 -1.26 -2.44 135.00 128.71 1tbr n PRO 100 Ca 0.00 -0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 1tbr n PRO 100 Cb 0.00 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1tbr n PRO 100 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tbr s ARG 102 N 5.08 2.52 0.00 0.00 0.52 -1.26 -5.02 118.95 120.79 1tbr s ARG 102 Ca 0.59 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1tbr s ARG 102 Cb -0.13 -5.19 0.00 0.00 0.52 0.00 0.00 34.95 30.15 1tbr s ARG 102 CO 0.31 -3.79 0.28 2.41 0.02 0.00 0.00 175.30 174.53