#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbx n SER 3 N 0.00 0.00 -4.76 4.39 3.41 -1.26 -5.10 113.62 110.30 1tbx n SER 3 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1tbx n SER 3 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1tbx n SER 3 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1tbx s THR 4 N 0.00 3.18 0.02 6.66 2.01 -1.26 -5.02 115.64 121.24 1tbx s THR 4 Ca 0.00 1.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 1tbx s THR 4 Cb 0.00 -3.73 -0.12 0.00 0.01 0.00 0.00 72.50 68.66 1tbx s THR 4 CO 0.00 0.26 1.18 -0.65 -0.69 0.00 0.00 174.62 174.72 1tbx h PRO 5 N 3.93 -0.75 0.00 4.92 0.11 -2.04 -3.40 132.00 134.78 1tbx h PRO 5 Ca -0.47 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1tbx h PRO 5 Cb 1.22 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1tbx h PRO 5 CO 0.68 -0.50 -0.82 0.74 -0.21 0.00 0.00 178.00 177.89 1tbx h PHE 6 N -0.87 0.00 -3.39 0.65 -1.00 -2.03 -3.45 116.94 106.85 1tbx h PHE 6 Ca -0.08 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.06 1tbx h PHE 6 Cb 0.59 0.00 -0.33 0.00 3.61 0.00 0.00 35.95 39.82 1tbx h PHE 6 CO 0.07 0.00 -0.87 -0.06 -1.61 0.00 0.00 178.31 175.84 1tbx s PHE 7 N -3.29 2.30 0.42 -0.55 0.40 -1.26 -5.12 117.98 110.88 1tbx s PHE 7 Ca 0.02 -0.92 -0.23 0.00 -0.60 0.00 0.00 56.93 55.20 1tbx s PHE 7 Cb 0.10 -1.56 -0.09 0.00 0.51 0.00 0.00 43.02 41.99 1tbx s PHE 7 CO 0.76 -0.38 1.07 0.71 0.70 0.00 0.00 175.22 178.08 1tbx s TYR 8 N 0.39 3.15 0.30 0.36 1.51 -1.26 -4.77 117.35 117.03 1tbx s TYR 8 Ca -0.17 1.61 0.03 0.00 -1.01 0.00 0.00 57.07 57.53 1tbx s TYR 8 Cb -0.17 -3.17 0.76 0.00 -0.11 0.00 0.00 41.96 39.27 1tbx s TYR 8 CO 0.08 -0.83 1.47 -2.30 -1.11 0.00 0.00 175.55 172.86 1tbx n PRO 9 N -0.29 -0.07 -0.25 -1.71 -0.02 -1.26 0.30 135.00 131.70 1tbx n PRO 9 Ca 0.06 1.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.97 1tbx n PRO 9 Cb 0.50 -2.24 0.13 0.00 -0.02 0.00 0.00 33.50 31.87 1tbx n PRO 9 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1tbx h GLU 10 N 0.00 0.08 -0.34 -0.52 3.07 -1.92 0.62 114.58 115.56 1tbx h GLU 10 Ca 0.58 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.43 1tbx h GLU 10 Cb 1.24 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 1tbx h GLU 10 CO -0.87 0.05 0.16 0.00 -1.40 0.00 0.00 179.01 176.95 1tbx h ALA 11 N 1.69 0.44 -0.21 3.43 0.00 -0.52 -0.21 119.26 123.88 1tbx h ALA 11 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1tbx h ALA 11 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1tbx h ALA 11 CO -0.66 0.01 0.07 0.82 0.00 0.00 0.00 179.25 179.50 1tbx h ILE 12 N 0.42 1.18 0.11 0.00 2.04 -0.77 -1.11 117.51 119.38 1tbx h ILE 12 Ca 0.12 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1tbx h ILE 12 Cb 0.13 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1tbx h ILE 12 CO -0.01 0.18 -0.21 0.58 0.00 0.00 0.00 178.15 178.69 1tbx h VAL 13 N 0.18 0.53 -0.41 1.67 2.07 0.29 -0.65 116.25 119.93 1tbx h VAL 13 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1tbx h VAL 13 Cb 0.21 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1tbx h VAL 13 CO -0.00 0.00 0.24 0.25 0.02 0.00 0.00 177.57 178.08 1tbx h LEU 14 N -0.39 0.39 -0.44 2.57 5.85 -0.96 -1.49 115.31 120.84 1tbx h LEU 14 Ca 0.03 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1tbx h LEU 14 Cb 0.41 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1tbx h LEU 14 CO -0.12 0.28 0.14 0.00 -0.34 0.00 0.00 178.44 178.40 1tbx h ALA 15 N 1.18 0.51 0.00 1.25 0.00 -0.92 -2.42 119.26 118.87 1tbx h ALA 15 Ca 0.16 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1tbx h ALA 15 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1tbx h ALA 15 CO -0.08 -0.26 -0.22 1.88 0.00 0.00 0.00 179.25 180.58 1tbx h TYR 16 N 0.29 0.00 0.00 0.00 -1.99 -0.63 -2.37 116.97 112.28 1tbx h TYR 16 Ca 0.21 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.85 1tbx h TYR 16 Cb 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1tbx h TYR 16 CO -0.17 0.22 -0.44 1.25 -0.00 0.00 0.00 178.16 179.02 1tbx h LEU 17 N 0.00 0.00 -9.93 3.88 5.85 -0.77 -3.38 115.31 110.95 1tbx h LEU 17 Ca -0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 1tbx h LEU 17 Cb 0.50 0.00 0.08 0.00 0.37 0.00 0.00 40.66 41.61 1tbx h LEU 17 CO 0.03 0.44 0.64 -0.47 -0.34 0.00 0.00 178.44 178.74 1tbx s TYR 18 N -3.71 2.83 -1.23 1.25 5.04 -0.89 0.77 117.35 121.40 1tbx s TYR 18 Ca -0.01 1.38 -0.20 0.00 -2.44 0.00 0.00 57.07 55.81 1tbx s TYR 18 Cb 0.12 -3.72 -0.01 0.00 0.35 0.00 0.00 41.96 38.70 1tbx s TYR 18 CO 0.71 -2.17 1.88 -0.25 -1.34 0.00 0.00 175.55 174.38 1tbx n ASP 19 N 0.30 3.94 -2.37 4.32 10.43 -1.26 -4.81 116.55 127.11 1tbx n ASP 19 Ca 0.03 -2.81 -0.34 0.00 2.57 0.00 0.00 54.79 54.24 1tbx n ASP 19 Cb 0.43 -1.67 0.06 0.00 1.84 0.00 0.00 41.12 41.78 1tbx n ASP 19 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1tbx n ASN 20 N 10.06 7.21 -4.70 -2.24 5.03 0.23 -5.03 115.26 125.83 1tbx n ASN 20 Ca 0.48 -3.79 -0.42 0.00 0.87 0.00 0.00 54.58 51.72 1tbx n ASN 20 Cb 0.45 -0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 38.29 1tbx n ASN 20 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1tbx s GLU 21 N -3.82 4.24 0.00 3.52 2.02 -1.12 -1.70 118.70 121.83 1tbx s GLU 21 Ca 0.61 2.23 0.00 0.00 0.02 0.00 0.00 54.97 57.83 1tbx s GLU 21 Cb 0.48 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1tbx s GLU 21 CO -0.06 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.00 1tbx n GLY 22 N 3.80 0.72 3.76 -1.39 0.00 -0.60 -5.04 105.19 106.44 1tbx n GLY 22 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1tbx n GLY 22 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tbx s ILE 23 N -2.05 2.67 0.16 -0.61 2.07 -0.69 -4.74 121.20 118.01 1tbx s ILE 23 Ca 0.00 0.48 -0.31 0.00 -1.41 0.00 0.00 60.65 59.41 1tbx s ILE 23 Cb 0.00 -3.23 -0.09 0.00 0.13 0.00 0.00 42.46 39.27 1tbx s ILE 23 CO 0.00 -0.03 1.40 0.00 -1.91 0.00 0.00 174.94 174.40 1tbx s ALA 24 N -1.48 3.61 0.24 1.50 0.00 -1.26 -2.10 121.76 122.27 1tbx s ALA 24 Ca 0.70 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.70 1tbx s ALA 24 Cb -0.33 -3.54 0.32 0.00 0.00 0.00 0.00 23.12 19.57 1tbx s ALA 24 CO 0.38 -0.64 1.57 1.15 0.00 0.00 0.00 175.76 178.22 1tbx h THR 25 N 4.00 0.06 -0.40 0.00 2.02 -1.37 -0.60 112.91 116.61 1tbx h THR 25 Ca -0.43 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.81 1tbx h THR 25 Cb 1.21 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1tbx h THR 25 CO 0.84 0.00 0.08 0.22 0.37 0.00 0.00 175.52 177.03 1tbx h TYR 26 N -0.02 0.14 -0.31 3.16 3.20 -1.93 -0.80 116.97 120.41 1tbx h TYR 26 Ca 0.38 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.24 1tbx h TYR 26 Cb 0.63 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1tbx h TYR 26 CO -0.77 0.02 0.02 -0.44 -1.64 0.00 0.00 178.16 175.35 1tbx h ASP 27 N 0.22 0.43 -0.49 -2.11 3.32 -1.66 -2.23 116.42 113.90 1tbx h ASP 27 Ca 0.19 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1tbx h ASP 27 Cb 0.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1tbx h ASP 27 CO -0.24 0.48 -0.01 0.25 -1.72 0.00 0.00 179.24 178.00 1tbx h LEU 28 N 0.45 0.89 0.16 1.55 5.85 -0.34 -2.40 115.31 121.47 1tbx h LEU 28 Ca 0.10 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1tbx h LEU 28 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1tbx h LEU 28 CO 0.01 0.95 -0.33 0.22 -0.34 0.00 0.00 178.44 178.95 1tbx h TYR 29 N 0.85 -0.89 -0.58 1.25 3.20 -0.61 -1.13 116.97 119.06 1tbx h TYR 29 Ca 0.16 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.12 1tbx h TYR 29 Cb 0.51 0.37 -0.06 0.00 1.54 0.00 0.00 36.73 39.08 1tbx h TYR 29 CO 0.03 -0.44 0.24 0.87 -1.64 0.00 0.00 178.16 177.22 1tbx h LYS 30 N -0.58 0.43 0.31 1.82 1.57 -1.26 0.05 116.57 118.91 1tbx h LYS 30 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1tbx h LYS 30 Cb 0.59 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1tbx h LYS 30 CO -0.16 0.28 -0.16 0.87 -0.57 0.00 0.00 179.45 179.71 1tbx h LYS 31 N 0.44 -0.42 -0.58 3.15 1.57 -1.20 -2.60 116.57 116.94 1tbx h LYS 31 Ca 0.28 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 1tbx h LYS 31 Cb 0.30 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.62 1tbx h LYS 31 CO -0.26 -0.28 0.11 0.28 -0.57 0.00 0.00 179.45 178.73 1tbx h VAL 32 N -0.43 0.64 0.00 0.50 2.07 -0.97 -2.55 116.25 115.51 1tbx h VAL 32 Ca -0.04 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1tbx h VAL 32 Cb 0.34 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1tbx h VAL 32 CO 0.06 0.04 -0.15 -1.13 0.02 0.00 0.00 177.57 176.41 1tbx h ASN 33 N 0.24 0.00 -0.51 0.57 -1.24 -0.63 -0.59 115.58 113.41 1tbx h ASN 33 Ca 0.30 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.32 1tbx h ASN 33 Cb 0.44 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 1tbx h ASN 33 CO -0.40 0.15 0.33 0.00 -1.29 0.00 0.00 177.43 176.22 1tbx h ALA 34 N 1.85 0.65 0.00 1.57 0.00 -1.09 -2.89 119.26 119.36 1tbx h ALA 34 Ca -0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1tbx h ALA 34 Cb 0.36 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1tbx h ALA 34 CO 0.02 0.08 -2.25 0.39 0.00 0.00 0.00 179.25 177.49 1tbx n GLU 35 N -4.74 0.68 -3.71 0.00 4.71 -1.16 -4.75 120.64 111.67 1tbx n GLU 35 Ca 0.03 0.07 -0.29 0.00 -0.01 0.00 0.00 57.16 56.96 1tbx n GLU 35 Cb 0.03 -1.58 -0.12 0.00 -1.01 0.00 0.00 31.44 28.76 1tbx n GLU 35 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1tbx s PHE 36 N -2.52 2.21 0.74 -0.32 0.40 -0.24 -5.15 117.98 113.10 1tbx s PHE 36 Ca -0.10 -2.63 -0.15 0.00 -0.60 0.00 0.00 56.93 53.45 1tbx s PHE 36 Cb 0.07 -1.93 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1tbx s PHE 36 CO 0.82 -0.74 1.24 -2.14 0.70 0.00 0.00 175.22 175.09 1tbx s PRO 37 N -0.09 2.00 0.33 0.24 0.02 -1.09 -3.95 135.00 132.45 1tbx s PRO 37 Ca 0.22 1.86 0.07 0.00 0.02 0.00 0.00 61.00 63.17 1tbx s PRO 37 Cb -0.16 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1tbx s PRO 37 CO -0.07 -1.97 0.34 -1.54 -0.33 0.00 0.00 177.00 173.44 1tbx s SER 39 N -1.89 5.53 0.29 2.53 1.04 -1.26 -4.86 113.70 115.08 1tbx s SER 39 Ca 0.76 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.84 1tbx s SER 39 Cb -0.32 -1.10 0.45 0.00 0.10 0.00 0.00 66.02 65.16 1tbx s SER 39 CO 0.46 -0.35 1.77 0.71 0.98 0.00 0.00 173.24 176.81 1tbx h THR 40 N 1.16 1.24 0.16 2.02 1.35 -2.00 -0.28 112.91 116.56 1tbx h THR 40 Ca -0.45 -1.11 0.01 0.00 -0.55 0.00 0.00 66.41 64.31 1tbx h THR 40 Cb 1.25 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 1tbx h THR 40 CO 0.57 0.36 -0.20 0.00 -0.25 0.00 0.00 175.52 176.00 1tbx h ALA 41 N 1.35 -0.38 -0.31 6.62 0.00 -2.05 0.14 119.26 124.64 1tbx h ALA 41 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1tbx h ALA 41 Cb 0.56 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1tbx h ALA 41 CO 0.04 -0.74 0.16 1.15 0.00 0.00 0.00 179.25 179.85 1tbx h THR 42 N -0.41 0.99 0.18 0.00 2.02 -1.96 -1.26 112.91 112.47 1tbx h THR 42 Ca 0.01 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1tbx h THR 42 Cb 0.41 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1tbx h THR 42 CO -0.08 0.06 -0.20 0.15 0.37 0.00 0.00 175.52 175.82 1tbx h PHE 43 N 0.32 -0.53 -0.17 3.16 3.57 -0.58 -2.04 116.94 120.67 1tbx h PHE 43 Ca 0.13 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1tbx h PHE 43 Cb 0.04 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1tbx h PHE 43 CO -0.10 -0.30 -0.13 1.88 -2.23 0.00 0.00 178.31 177.44 1tbx h TYR 44 N -0.42 0.29 -0.61 0.41 -1.99 -0.67 0.17 116.97 114.15 1tbx h TYR 44 Ca 0.01 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.76 1tbx h TYR 44 Cb 0.41 -0.08 -0.05 0.00 2.00 0.00 0.00 36.73 39.00 1tbx h TYR 44 CO -0.16 0.40 0.32 -0.44 -0.00 0.00 0.00 178.16 178.28 1tbx h ASP 45 N 0.26 0.45 -0.35 3.88 5.19 -0.89 -0.65 116.42 124.31 1tbx h ASP 45 Ca 0.05 0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.37 1tbx h ASP 45 Cb 0.39 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1tbx h ASP 45 CO 0.02 0.29 -0.29 0.00 -3.12 0.00 0.00 179.24 176.15 1tbx h ALA 46 N 1.33 0.50 -0.60 3.45 0.00 -0.60 -1.65 119.26 121.69 1tbx h ALA 46 Ca 0.28 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1tbx h ALA 46 Cb 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1tbx h ALA 46 CO -0.19 0.53 0.28 -0.22 0.00 0.00 0.00 179.25 179.65 1tbx h LYS 47 N 0.59 0.50 0.40 0.00 3.64 -0.69 -0.99 116.57 120.02 1tbx h LYS 47 Ca 0.06 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1tbx h LYS 47 Cb 0.86 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1tbx h LYS 47 CO 0.07 0.33 -0.19 -0.22 -2.27 0.00 0.00 179.45 177.17 1tbx h LYS 48 N 0.51 -0.51 -0.33 1.90 3.64 -0.89 -1.72 116.57 119.16 1tbx h LYS 48 Ca 0.29 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 1tbx h LYS 48 Cb 0.27 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1tbx h LYS 48 CO -0.23 -0.34 0.05 0.35 -2.27 0.00 0.00 179.45 177.01 1tbx h PHE 49 N -0.54 0.07 -0.56 1.91 3.57 -1.07 -0.51 116.94 119.81 1tbx h PHE 49 Ca -0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1tbx h PHE 49 Cb 0.41 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1tbx h PHE 49 CO -0.05 -0.00 0.24 -0.07 -2.23 0.00 0.00 178.31 176.20 1tbx h LEU 50 N 0.16 0.72 -0.14 0.59 3.38 -0.96 0.19 115.31 119.25 1tbx h LEU 50 Ca 0.16 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1tbx h LEU 50 Cb 0.19 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1tbx h LEU 50 CO -0.22 0.64 -0.56 0.40 0.09 0.00 0.00 178.44 178.79 1tbx h ILE 51 N 0.79 1.33 0.00 1.22 2.04 -0.97 -0.34 117.51 121.59 1tbx h ILE 51 Ca 0.19 -1.82 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 1tbx h ILE 51 Cb 0.13 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1tbx h ILE 51 CO -0.02 0.56 -0.50 0.06 0.00 0.00 0.00 178.15 178.25 1tbx h GLN 52 N 0.28 0.00 -0.49 2.37 3.07 -0.52 -2.07 115.11 117.76 1tbx h GLN 52 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1tbx h GLN 52 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1tbx h GLN 52 CO 0.12 0.50 0.00 -1.91 0.09 0.00 0.00 178.83 177.63 1tbx n GLU 53 N -3.64 2.23 -1.07 0.06 4.07 0.63 -4.98 120.64 117.95 1tbx n GLU 53 Ca -0.01 -1.91 -0.02 0.00 -0.06 0.00 0.00 57.16 55.16 1tbx n GLU 53 Cb 0.57 -1.43 -0.01 0.00 -0.06 0.00 0.00 31.44 30.51 1tbx n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tbx n GLY 54 N 1.36 0.56 0.11 8.31 0.00 -0.78 -4.94 105.19 109.82 1tbx n GLY 54 Ca 0.18 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 1tbx n GLY 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1tbx h PHE 55 N 0.00 0.42 -3.84 1.61 -1.00 -1.33 -3.42 116.94 109.38 1tbx h PHE 55 Ca -0.05 -0.31 -0.69 0.00 2.81 0.00 0.00 57.97 59.74 1tbx h PHE 55 Cb 0.16 -0.02 -0.22 0.00 3.61 0.00 0.00 35.95 39.48 1tbx h PHE 55 CO 0.07 1.39 -0.87 0.08 -1.61 0.00 0.00 178.31 177.38 1tbx s VAL 56 N -2.61 2.27 -0.03 -0.55 1.01 -0.90 -1.55 120.40 118.05 1tbx s VAL 56 Ca -0.10 -1.78 0.06 0.00 0.00 0.00 0.00 61.98 60.16 1tbx s VAL 56 Cb 0.07 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1tbx s VAL 56 CO 0.84 0.07 -0.20 -1.59 0.00 0.00 0.00 175.10 174.22 1tbx s LYS 57 N -2.12 1.79 -0.12 2.72 -2.85 0.00 -4.04 119.74 115.12 1tbx s LYS 57 Ca 0.15 -0.73 -0.17 0.00 -1.00 0.00 0.00 55.97 54.22 1tbx s LYS 57 Cb -0.10 -1.66 -0.04 0.00 -2.06 0.00 0.00 37.83 33.96 1tbx s LYS 57 CO 0.06 0.40 0.41 -2.00 0.10 0.00 0.00 175.35 174.33 1tbx s GLU 58 N -0.35 4.28 0.01 1.78 2.12 -1.26 -0.16 118.70 125.13 1tbx s GLU 58 Ca 0.04 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.72 1tbx s GLU 58 Cb -0.09 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 1tbx s GLU 58 CO 0.00 0.22 -0.04 1.03 -0.54 0.00 0.00 175.26 175.93 1tbx s ARG 59 N 0.46 0.31 -0.45 4.30 1.81 0.12 -5.00 118.95 120.49 1tbx s ARG 59 Ca 0.23 -0.34 -0.28 0.00 -1.72 0.00 0.00 55.73 53.61 1tbx s ARG 59 Cb -0.15 -0.17 0.03 0.00 -0.45 0.00 0.00 34.95 34.21 1tbx s ARG 59 CO 0.08 0.04 1.09 -1.14 -0.68 0.00 0.00 175.30 174.69 1tbx s GLN 60 N -0.67 3.74 0.07 3.54 0.74 -1.26 -0.62 119.66 125.20 1tbx s GLN 60 Ca -0.05 0.56 0.06 0.00 0.05 0.00 0.00 55.36 55.99 1tbx s GLN 60 Cb -0.05 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.15 1tbx s GLN 60 CO -0.00 -1.28 -0.17 -1.21 -0.55 0.00 0.00 175.29 172.08 1tbx s GLU 61 N 4.21 0.98 -1.17 1.67 0.41 -0.77 -4.85 118.70 119.18 1tbx s GLU 61 Ca 0.45 -0.97 -0.02 0.00 -0.41 0.00 0.00 54.97 54.03 1tbx s GLU 61 Cb -0.08 -1.06 0.01 0.00 -1.78 0.00 0.00 34.13 31.21 1tbx s GLU 61 CO 0.28 0.25 0.12 -2.13 -0.49 0.00 0.00 175.26 173.29 1tbx n ARG 62 N 1.41 -2.56 -2.67 1.61 0.63 -1.26 -1.99 116.66 111.83 1tbx n ARG 62 Ca -0.20 0.62 -0.08 0.00 -0.92 0.00 0.00 57.85 57.28 1tbx n ARG 62 Cb 0.54 -5.26 0.04 0.00 0.45 0.00 0.00 32.46 28.23 1tbx n ARG 62 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tbx n GLY 63 N -0.92 0.09 3.58 5.14 0.00 -1.26 -5.02 105.19 106.79 1tbx n GLY 63 Ca -0.13 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1tbx n GLY 63 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tbx s GLU 64 N -4.68 0.58 -0.46 1.61 2.56 -0.84 -5.12 118.70 112.35 1tbx s GLU 64 Ca 0.02 0.12 -0.27 0.00 0.00 0.00 0.00 54.97 54.83 1tbx s GLU 64 Cb -0.01 0.27 0.03 0.00 2.00 0.00 0.00 34.13 36.42 1tbx s GLU 64 CO 0.33 -0.19 1.03 0.15 -0.56 0.00 0.00 175.26 176.03 1tbx s LYS 65 N -1.21 3.65 -0.11 4.30 1.02 -1.26 -1.84 119.74 124.29 1tbx s LYS 65 Ca -0.01 0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.38 1tbx s LYS 65 Cb -0.00 -3.91 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 1tbx s LYS 65 CO 0.01 -1.28 -0.09 1.03 -0.92 0.00 0.00 175.35 174.10 1tbx s ARG 66 N 4.08 3.17 -0.13 1.68 1.81 0.21 -0.88 118.95 128.90 1tbx s ARG 66 Ca 0.43 -0.61 -0.05 0.00 -1.72 0.00 0.00 55.73 53.78 1tbx s ARG 66 Cb -0.09 -2.66 -0.04 0.00 -0.45 0.00 0.00 34.95 31.71 1tbx s ARG 66 CO 0.28 0.40 0.07 -0.51 -0.68 0.00 0.00 175.30 174.86 1tbx s LEU 67 N -0.11 3.97 0.22 2.53 1.43 -0.89 -0.71 118.68 125.12 1tbx s LEU 67 Ca 0.00 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1tbx s LEU 67 Cb -0.13 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1tbx s LEU 67 CO 0.03 0.33 0.03 -0.31 0.23 0.00 0.00 176.35 176.67 1tbx s TYR 68 N -0.58 1.41 -0.21 0.29 1.51 0.78 -1.55 117.35 119.00 1tbx s TYR 68 Ca 0.11 -1.05 -0.10 0.00 -1.01 0.00 0.00 57.07 55.03 1tbx s TYR 68 Cb -0.12 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 40.87 1tbx s TYR 68 CO 0.02 -0.21 0.12 -0.51 -1.11 0.00 0.00 175.55 173.87 1tbx s LEU 69 N -3.26 4.11 1.17 -1.29 1.43 -1.26 -0.82 118.68 118.77 1tbx s LEU 69 Ca 0.30 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 1tbx s LEU 69 Cb 0.07 -2.07 0.27 0.00 0.03 0.00 0.00 46.19 44.49 1tbx s LEU 69 CO 0.08 0.15 1.04 0.28 0.23 0.00 0.00 176.35 178.14 1tbx s THR 70 N 0.54 1.82 0.15 5.49 -1.32 -0.59 -4.77 115.64 116.95 1tbx s THR 70 Ca 0.07 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.41 1tbx s THR 70 Cb -0.12 -2.26 0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1tbx s THR 70 CO -0.00 0.00 1.69 -0.33 -2.21 0.00 0.00 174.62 173.77 1tbx h GLU 71 N -2.56 0.73 -0.88 7.08 5.08 -1.88 -0.51 114.58 121.65 1tbx h GLU 71 Ca -0.55 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 57.74 1tbx h GLU 71 Cb 1.33 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 1tbx h GLU 71 CO 0.47 0.67 0.55 -0.22 -1.00 0.00 0.00 179.01 179.47 1tbx h LYS 72 N 0.64 0.95 -0.13 2.33 3.64 -1.89 -2.48 116.57 119.63 1tbx h LYS 72 Ca 0.16 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.27 1tbx h LYS 72 Cb 0.22 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1tbx h LYS 72 CO -0.01 0.63 -0.77 0.78 -2.27 0.00 0.00 179.45 177.81 1tbx h GLY 73 N 0.98 0.75 0.52 5.01 0.00 -1.59 -2.82 103.07 105.92 1tbx h GLY 73 Ca 0.39 -1.07 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1tbx h GLY 73 CO -0.18 0.95 -0.25 1.70 0.00 0.00 0.00 176.54 178.76 1tbx h LYS 74 N 0.47 -0.42 -0.65 4.80 3.64 -0.79 0.16 116.57 123.78 1tbx h LYS 74 Ca -0.05 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1tbx h LYS 74 Cb 1.38 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.25 1tbx h LYS 74 CO 0.15 -0.28 0.39 -0.07 -2.27 0.00 0.00 179.45 177.37 1tbx h LEU 75 N -0.43 0.63 -0.17 5.20 3.38 -1.48 -3.12 115.31 119.32 1tbx h LEU 75 Ca 0.04 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1tbx h LEU 75 Cb 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1tbx h LEU 75 CO -0.17 0.43 -0.35 0.15 0.09 0.00 0.00 178.44 178.59 1tbx h PHE 76 N 0.76 0.67 -0.69 1.13 3.57 -1.26 -3.28 116.94 117.84 1tbx h PHE 76 Ca 0.27 -0.25 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1tbx h PHE 76 Cb 0.05 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.59 1tbx h PHE 76 CO -0.05 0.98 0.31 0.00 -2.23 0.00 0.00 178.31 177.32 1tbx h ALA 77 N 0.57 0.95 -0.20 2.41 0.00 -0.63 -1.35 119.26 121.01 1tbx h ALA 77 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1tbx h ALA 77 Cb 0.95 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1tbx h ALA 77 CO 0.08 -0.12 -0.52 0.82 0.00 0.00 0.00 179.25 179.51 1tbx h ILE 78 N 0.52 0.03 -0.23 0.00 2.04 -1.61 0.27 117.51 118.53 1tbx h ILE 78 Ca 0.35 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.15 1tbx h ILE 78 Cb 0.43 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1tbx h ILE 78 CO -0.31 0.00 -0.14 0.77 0.00 0.00 0.00 178.15 178.47 1tbx h SER 79 N -0.52 0.36 0.07 1.72 4.64 -1.46 -2.57 113.55 115.78 1tbx h SER 79 Ca 0.06 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1tbx h SER 79 Cb 0.65 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1tbx h SER 79 CO -0.47 0.53 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.92 1tbx h LEU 80 N 0.35 -0.08 -1.13 5.97 3.38 -0.77 -2.78 115.31 120.26 1tbx h LEU 80 Ca 0.07 -0.28 0.12 0.00 0.09 0.00 0.00 57.88 57.88 1tbx h LEU 80 Cb 0.46 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1tbx h LEU 80 CO 0.03 0.24 0.60 0.50 0.09 0.00 0.00 178.44 179.90 1tbx h LYS 81 N -0.40 0.86 0.12 1.13 3.64 -0.22 -1.24 116.57 120.48 1tbx h LYS 81 Ca -0.01 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1tbx h LYS 81 Cb 0.35 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1tbx h LYS 81 CO 0.02 0.57 -0.28 1.15 -2.27 0.00 0.00 179.45 178.64 1tbx h THR 82 N 0.89 0.39 -0.33 1.00 2.02 -1.43 0.20 112.91 115.65 1tbx h THR 82 Ca 0.47 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.68 1tbx h THR 82 Cb 0.54 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1tbx h THR 82 CO -0.23 0.00 0.13 0.00 0.37 0.00 0.00 175.52 175.79 1tbx h ALA 83 N 0.21 0.38 -0.53 6.16 0.00 -1.01 0.21 119.26 124.68 1tbx h ALA 83 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1tbx h ALA 83 Cb 0.52 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1tbx h ALA 83 CO -0.16 -0.27 0.14 0.82 0.00 0.00 0.00 179.25 179.78 1tbx h ILE 84 N 0.28 1.24 -0.34 0.00 2.04 -1.12 0.11 117.51 119.71 1tbx h ILE 84 Ca 0.14 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1tbx h ILE 84 Cb 0.10 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1tbx h ILE 84 CO -0.13 0.31 0.23 -0.33 0.00 0.00 0.00 178.15 178.22 1tbx h GLU 85 N 0.75 0.45 -0.86 2.37 4.39 -0.39 0.33 114.58 121.61 1tbx h GLU 85 Ca 0.17 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1tbx h GLU 85 Cb 0.32 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 1tbx h GLU 85 CO -0.00 0.30 0.42 1.15 -1.16 0.00 0.00 179.01 179.72 1tbx h THR 86 N 0.46 1.26 -0.02 1.13 2.02 -0.20 -1.80 112.91 115.76 1tbx h THR 86 Ca 0.13 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1tbx h THR 86 Cb -0.05 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1tbx h THR 86 CO -0.03 0.31 -0.05 0.22 0.37 0.00 0.00 175.52 176.34 1tbx h TYR 87 N 1.23 -0.13 -0.91 3.16 3.20 -0.08 -1.66 116.97 121.78 1tbx h TYR 87 Ca 0.30 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1tbx h TYR 87 Cb 0.11 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 1tbx h TYR 87 CO 0.01 -0.08 0.57 0.87 -1.64 0.00 0.00 178.16 177.89 1tbx h LYS 88 N -0.08 1.01 0.00 1.82 1.57 -0.58 -0.03 116.57 120.28 1tbx h LYS 88 Ca 0.03 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1tbx h LYS 88 Cb 0.12 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1tbx h LYS 88 CO -0.07 0.67 -0.27 1.96 -0.57 0.00 0.00 179.45 181.16 1tbx h GLN 89 N 1.04 0.00 0.13 3.15 1.08 -1.10 -3.09 115.11 116.33 1tbx h GLN 89 Ca 0.39 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.41 1tbx h GLN 89 Cb 0.16 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1tbx h GLN 89 CO -0.17 0.27 -0.82 0.82 -0.95 0.00 0.00 178.83 177.99 1tbx h ILE 90 N 0.00 1.50 0.00 2.54 2.04 -0.21 -3.51 117.51 119.87 1tbx h ILE 90 Ca -0.00 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1tbx h ILE 90 Cb 0.78 3.19 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1tbx h ILE 90 CO 0.04 0.71 0.00 0.29 0.00 0.00 0.00 178.15 179.19