#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tzy n VAL 21 N 0.00 1.98 -2.96 -0.18 0.31 -1.26 -4.95 118.33 111.27 1tzy n VAL 21 Ca 0.00 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 1tzy n VAL 21 Cb 0.00 -0.69 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 1tzy n VAL 21 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1tzy s LEU 22 N 1.25 4.08 -0.40 7.52 2.96 -1.26 -5.01 118.68 127.82 1tzy s LEU 22 Ca 0.61 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 55.44 1tzy s LEU 22 Cb -0.75 -3.07 0.11 0.00 0.50 0.00 0.00 46.19 42.98 1tzy s LEU 22 CO 0.59 -0.49 0.12 -0.13 -1.32 0.00 0.00 176.35 175.12 1tzy s ARG 23 N 2.76 1.59 -0.31 1.98 0.52 -1.26 -4.93 118.95 119.29 1tzy s ARG 23 Ca 0.32 -2.07 0.17 0.00 -0.52 0.00 0.00 55.73 53.63 1tzy s ARG 23 Cb -0.15 -3.16 0.45 0.00 0.52 0.00 0.00 34.95 32.61 1tzy s ARG 23 CO 0.08 -1.00 1.25 -3.47 0.02 0.00 0.00 175.30 172.19 1tzy n ASP 24 N 3.91 0.15 0.12 0.23 2.03 -1.26 -4.92 116.55 116.80 1tzy n ASP 24 Ca 0.04 -2.25 0.10 0.00 0.52 0.00 0.00 54.79 53.20 1tzy n ASP 24 Cb 0.39 0.07 0.47 0.00 -0.72 0.00 0.00 41.12 41.33 1tzy n ASP 24 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1tzy n ASN 25 N -0.81 0.52 0.27 1.67 5.03 -1.26 -1.67 115.26 119.01 1tzy n ASN 25 Ca -0.02 0.67 0.11 0.00 0.87 0.00 0.00 54.58 56.21 1tzy n ASN 25 Cb 0.83 -0.77 0.75 0.00 -1.02 0.00 0.00 39.78 39.58 1tzy n ASN 25 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1tzy h ILE 26 N 0.00 0.78 0.00 2.41 6.09 -1.98 0.27 117.51 125.07 1tzy h ILE 26 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 1tzy h ILE 26 Cb 0.21 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.57 1tzy h ILE 26 CO 0.00 0.03 0.00 0.00 -3.07 0.00 0.00 178.15 175.11 1tzy n GLN 27 N -4.14 0.76 0.02 2.19 1.13 -0.67 -2.12 117.38 114.55 1tzy n GLN 27 Ca -0.03 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.12 1tzy n GLN 27 Cb 0.12 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.35 1tzy n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tzy n GLY 28 N 1.06 -1.13 3.60 1.08 0.00 0.08 -4.62 105.19 105.25 1tzy n GLY 28 Ca 0.20 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1tzy n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tzy s ILE 29 N -3.05 4.80 0.48 -0.61 -1.09 -0.90 -5.02 121.20 115.81 1tzy s ILE 29 Ca 0.08 0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 59.37 1tzy s ILE 29 Cb 0.11 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1tzy s ILE 29 CO 0.33 -0.32 0.85 -0.89 -1.23 0.00 0.00 174.94 173.68 1tzy s THR 30 N 2.95 4.79 0.15 2.92 2.01 -1.26 -4.94 115.64 122.25 1tzy s THR 30 Ca 0.30 0.59 -0.22 0.00 0.31 0.00 0.00 61.69 62.68 1tzy s THR 30 Cb -0.14 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.61 1tzy s THR 30 CO 0.14 -0.76 1.63 0.50 -0.69 0.00 0.00 174.62 175.45 1tzy h LYS 31 N 0.60 -0.21 -0.91 4.92 3.64 -1.95 -1.94 116.57 120.73 1tzy h LYS 31 Ca -0.46 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1tzy h LYS 31 Cb 1.19 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 1tzy h LYS 31 CO 0.62 -0.14 0.56 -1.35 -2.27 0.00 0.00 179.45 176.88 1tzy h PRO 32 N -0.21 0.96 -0.46 1.90 0.10 -1.98 -0.46 132.00 131.85 1tzy h PRO 32 Ca 0.15 -0.06 0.03 0.00 0.10 0.00 0.00 66.00 66.22 1tzy h PRO 32 Cb 0.44 -0.22 -0.04 0.00 0.10 0.00 0.00 31.00 31.29 1tzy h PRO 32 CO -0.40 0.64 0.24 0.00 0.10 0.00 0.00 178.00 178.58 1tzy h ALA 33 N 1.45 0.58 -0.72 -0.75 0.00 -1.88 -0.89 119.26 117.05 1tzy h ALA 33 Ca 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 1tzy h ALA 33 Cb 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1tzy h ALA 33 CO -0.20 -0.10 0.26 0.82 0.00 0.00 0.00 179.25 180.03 1tzy h ILE 34 N 0.48 1.25 -0.63 0.00 2.04 -0.96 -1.35 117.51 118.35 1tzy h ILE 34 Ca 0.19 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1tzy h ILE 34 Cb 0.08 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1tzy h ILE 34 CO -0.12 0.33 0.19 -0.09 0.00 0.00 0.00 178.15 178.46 1tzy h ARG 35 N 1.04 0.98 -0.34 2.37 2.43 -0.81 -0.92 114.38 119.13 1tzy h ARG 35 Ca 0.24 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1tzy h ARG 35 Cb 0.25 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1tzy h ARG 35 CO -0.01 0.87 -0.30 0.00 -1.51 0.00 0.00 179.97 179.01 1tzy h ARG 36 N 0.91 0.73 -0.24 0.20 3.08 -0.63 -0.89 114.38 117.53 1tzy h ARG 36 Ca 0.20 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1tzy h ARG 36 Cb 0.30 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1tzy h ARG 36 CO -0.01 0.94 0.02 -0.07 -1.07 0.00 0.00 179.97 179.78 1tzy h LEU 37 N 0.62 -0.06 -0.86 3.04 3.38 -0.98 -0.28 115.31 120.16 1tzy h LEU 37 Ca 0.07 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1tzy h LEU 37 Cb 0.82 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1tzy h LEU 37 CO 0.07 0.00 0.55 0.00 0.09 0.00 0.00 178.44 179.14 1tzy h ALA 38 N 1.20 1.16 -0.63 1.53 0.00 -0.86 -1.47 119.26 120.18 1tzy h ALA 38 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1tzy h ALA 38 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1tzy h ALA 38 CO -0.18 0.34 0.20 0.00 0.00 0.00 0.00 179.25 179.61 1tzy h ARG 39 N 1.03 0.98 -0.02 0.00 2.47 -0.79 -0.49 114.38 117.57 1tzy h ARG 39 Ca 0.36 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 1tzy h ARG 39 Cb 0.09 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1tzy h ARG 39 CO -0.14 0.87 -0.07 -0.09 0.56 0.00 0.00 179.97 181.09 1tzy h ARG 40 N 0.91 0.02 0.00 0.04 9.65 -0.57 -0.79 114.38 123.64 1tzy h ARG 40 Ca 0.20 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1tzy h ARG 40 Cb 0.29 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1tzy h ARG 40 CO -0.01 0.09 0.00 0.41 2.80 0.00 0.00 179.97 183.27 1tzy n GLY 41 N -1.31 -0.95 1.91 2.80 0.00 -0.58 -4.90 105.19 102.16 1tzy n GLY 41 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1tzy n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tzy n GLY 42 N 0.71 0.41 3.72 -0.02 0.00 -0.30 -5.03 105.19 104.69 1tzy n GLY 42 Ca 0.13 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 1tzy n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tzy s VAL 43 N -2.00 5.19 -0.03 1.61 1.01 -0.30 -4.96 120.40 120.92 1tzy s VAL 43 Ca 0.00 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.00 1tzy s VAL 43 Cb 0.00 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 32.33 1tzy s VAL 43 CO 0.00 0.33 0.71 0.50 0.00 0.00 0.00 175.10 176.64 1tzy h LYS 44 N 6.70 0.07 -2.80 2.72 3.64 -1.95 -3.39 116.57 121.57 1tzy h LYS 44 Ca -0.41 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 58.71 1tzy h LYS 44 Cb 1.18 0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 32.80 1tzy h LYS 44 CO 0.75 0.74 -0.26 0.50 -2.27 0.00 0.00 179.45 178.91 1tzy s ARG 45 N -2.61 0.45 -0.11 1.90 3.52 -1.26 -5.13 118.95 115.71 1tzy s ARG 45 Ca -0.07 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1tzy s ARG 45 Cb 0.08 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.71 1tzy s ARG 45 CO 0.82 -0.06 -0.10 0.42 -0.81 0.00 0.00 175.30 175.57 1tzy s ILE 46 N 0.22 1.19 0.42 4.11 1.01 -1.26 -5.13 121.20 121.76 1tzy s ILE 46 Ca -0.00 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 1tzy s ILE 46 Cb -0.03 -1.16 -0.09 0.00 0.01 0.00 0.00 42.46 41.20 1tzy s ILE 46 CO 0.00 0.39 1.39 -0.55 0.00 0.00 0.00 174.94 176.17 1tzy s SER 47 N 1.48 6.11 0.62 3.58 0.15 -1.26 -4.90 113.70 119.48 1tzy s SER 47 Ca 0.02 2.84 0.35 0.00 0.70 0.00 0.00 55.95 59.86 1tzy s SER 47 Cb -0.13 -2.65 2.05 0.00 -1.71 0.00 0.00 66.02 63.57 1tzy s SER 47 CO -0.07 -1.01 2.30 1.23 1.20 0.00 0.00 173.24 176.89 1tzy h GLY 48 N 2.56 0.00 2.00 9.45 0.00 -2.05 -0.90 103.07 114.13 1tzy h GLY 48 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1tzy h GLY 48 CO 0.62 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.20 1tzy n LEU 49 N -3.57 0.11 0.22 3.11 4.77 -1.26 -3.53 117.00 116.85 1tzy n LEU 49 Ca -0.03 0.51 0.09 0.00 -0.03 0.00 0.00 56.01 56.55 1tzy n LEU 49 Cb 0.08 -0.48 0.46 0.00 -2.33 0.00 0.00 43.42 41.15 1tzy n LEU 49 CO 0.25 -0.04 0.79 0.16 -1.33 0.00 0.00 177.39 177.22 1tzy h ILE 50 N 0.00 0.63 -0.18 -0.08 -0.00 -1.53 -3.22 117.51 113.14 1tzy h ILE 50 Ca 0.00 -1.15 -0.01 0.00 -0.00 0.00 0.00 64.86 63.70 1tzy h ILE 50 Cb 0.52 1.76 -0.01 0.00 -0.00 0.00 0.00 36.82 39.09 1tzy h ILE 50 CO 0.00 0.24 0.07 1.88 -0.00 0.00 0.00 178.15 180.34 1tzy h TYR 51 N 0.00 0.27 -0.08 0.16 0.05 -1.76 -0.10 116.97 115.50 1tzy h TYR 51 Ca -0.00 -0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.60 1tzy h TYR 51 Cb 0.74 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1tzy h TYR 51 CO 0.00 0.34 -0.61 1.49 -1.05 0.00 0.00 178.16 178.33 1tzy h GLU 52 N 0.12 0.28 -0.58 4.88 4.57 -1.81 -1.85 114.58 120.19 1tzy h GLU 52 Ca 0.06 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1tzy h GLU 52 Cb 0.19 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1tzy h GLU 52 CO -0.00 0.80 0.33 1.49 -1.18 0.00 0.00 179.01 180.45 1tzy h GLU 53 N 0.20 0.80 -0.29 1.92 4.57 -1.49 -2.27 114.58 118.03 1tzy h GLU 53 Ca -0.01 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1tzy h GLU 53 Cb 1.13 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1tzy h GLU 53 CO 0.10 0.60 0.14 1.15 -1.18 0.00 0.00 179.01 179.81 1tzy h THR 54 N 0.78 1.15 -0.55 0.32 2.02 -0.80 -1.93 112.91 113.91 1tzy h THR 54 Ca 0.21 -0.43 0.07 0.00 0.77 0.00 0.00 66.41 67.02 1tzy h THR 54 Cb 0.02 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 1tzy h THR 54 CO -0.04 0.15 0.23 0.03 0.37 0.00 0.00 175.52 176.26 1tzy h ARG 55 N 0.33 0.42 -0.50 6.66 3.08 -1.10 0.18 114.38 123.45 1tzy h ARG 55 Ca 0.10 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1tzy h ARG 55 Cb 0.12 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1tzy h ARG 55 CO -0.01 0.28 0.24 0.78 -1.07 0.00 0.00 179.97 180.18 1tzy h GLY 56 N 0.43 0.70 1.40 0.04 0.00 -1.01 -0.71 103.07 103.91 1tzy h GLY 56 Ca 0.26 -0.16 -0.20 0.00 0.00 0.00 0.00 47.33 47.23 1tzy h GLY 56 CO -0.24 0.09 -0.72 -0.39 0.00 0.00 0.00 176.54 175.29 1tzy h VAL 57 N 0.47 1.33 -0.67 4.60 -1.51 -0.94 -1.82 116.25 117.70 1tzy h VAL 57 Ca 0.23 -2.01 -0.02 0.00 -1.23 0.00 0.00 66.70 63.66 1tzy h VAL 57 Cb 0.16 1.99 -0.03 0.00 -2.13 0.00 0.00 31.29 31.28 1tzy h VAL 57 CO -0.17 0.62 0.33 0.25 -1.23 0.00 0.00 177.57 177.37 1tzy h LEU 58 N 0.42 0.87 -0.85 4.19 5.85 -0.50 -1.99 115.31 123.29 1tzy h LEU 58 Ca -0.03 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1tzy h LEU 58 Cb 1.31 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1tzy h LEU 58 CO 0.14 0.75 -0.02 0.50 -0.34 0.00 0.00 178.44 179.47 1tzy h LYS 59 N 0.93 0.84 -0.33 1.25 3.64 -0.85 -0.86 116.57 121.19 1tzy h LYS 59 Ca 0.23 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1tzy h LYS 59 Cb 0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1tzy h LYS 59 CO -0.03 0.85 0.10 0.28 -2.27 0.00 0.00 179.45 178.38 1tzy h VAL 60 N 0.78 1.21 0.05 2.00 2.07 -1.17 -1.00 116.25 120.18 1tzy h VAL 60 Ca 0.15 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1tzy h VAL 60 Cb 0.49 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1tzy h VAL 60 CO 0.02 0.23 -0.10 0.15 0.02 0.00 0.00 177.57 177.90 1tzy h PHE 61 N 0.38 -0.24 -0.38 1.57 3.57 -1.09 -0.84 116.94 119.91 1tzy h PHE 61 Ca 0.11 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1tzy h PHE 61 Cb 0.26 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1tzy h PHE 61 CO 0.01 -0.15 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.67 1tzy h LEU 62 N -0.19 0.75 -1.00 0.59 3.38 -1.15 -1.77 115.31 115.91 1tzy h LEU 62 Ca 0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1tzy h LEU 62 Cb 0.21 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1tzy h LEU 62 CO -0.06 0.94 0.43 -0.33 0.09 0.00 0.00 178.44 179.51 1tzy h GLU 63 N 0.65 1.13 -0.16 1.13 5.08 -0.85 -0.28 114.58 121.29 1tzy h GLU 63 Ca 0.10 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1tzy h GLU 63 Cb 0.69 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1tzy h GLU 63 CO 0.05 0.84 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.94 1tzy h ASN 64 N 1.13 0.31 -0.12 1.42 2.35 -0.79 -1.59 115.58 118.30 1tzy h ASN 64 Ca 0.28 -0.39 -0.09 0.00 -0.55 0.00 0.00 56.30 55.55 1tzy h ASN 64 Cb 0.05 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1tzy h ASN 64 CO -0.04 0.63 -0.29 0.58 -1.65 0.00 0.00 177.43 176.65 1tzy h VAL 65 N -0.00 1.38 -0.49 2.81 2.07 -1.22 -2.94 116.25 117.86 1tzy h VAL 65 Ca 0.04 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.90 1tzy h VAL 65 Cb 0.50 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1tzy h VAL 65 CO 0.02 0.47 0.06 0.40 0.02 0.00 0.00 177.57 178.53 1tzy h ILE 66 N -0.02 1.25 -0.56 4.57 2.04 -1.10 0.10 117.51 123.79 1tzy h ILE 66 Ca -0.00 -0.96 0.10 0.00 1.00 0.00 0.00 64.86 65.00 1tzy h ILE 66 Cb 0.90 0.93 -0.11 0.00 -0.74 0.00 0.00 36.82 37.79 1tzy h ILE 66 CO 0.06 0.34 -0.32 -0.09 0.00 0.00 0.00 178.15 178.15 1tzy h ARG 67 N 0.69 -0.16 -0.62 2.37 2.43 -1.29 0.41 114.38 118.21 1tzy h ARG 67 Ca 0.15 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1tzy h ARG 67 Cb 0.42 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1tzy h ARG 67 CO 0.01 -0.10 0.09 -0.44 -1.51 0.00 0.00 179.97 178.02 1tzy h ASP 68 N -0.16 1.00 -0.63 -3.80 3.32 -1.31 -1.74 116.42 113.11 1tzy h ASP 68 Ca 0.23 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1tzy h ASP 68 Cb 0.54 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1tzy h ASP 68 CO -0.65 1.01 0.24 0.00 -1.72 0.00 0.00 179.24 178.11 1tzy h ALA 69 N 1.02 0.81 -0.10 3.45 0.00 -0.19 -1.66 119.26 122.60 1tzy h ALA 69 Ca 0.19 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1tzy h ALA 69 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1tzy h ALA 69 CO 0.01 0.44 -0.46 -0.39 0.00 0.00 0.00 179.25 178.85 1tzy h VAL 70 N 0.88 1.33 -0.60 0.00 -1.51 -0.85 -1.49 116.25 114.01 1tzy h VAL 70 Ca 0.21 -1.65 0.07 0.00 -1.23 0.00 0.00 66.70 64.10 1tzy h VAL 70 Cb 0.23 1.77 -0.06 0.00 -2.13 0.00 0.00 31.29 31.10 1tzy h VAL 70 CO -0.01 0.49 0.27 0.74 -1.23 0.00 0.00 177.57 177.83 1tzy h THR 71 N 0.19 0.86 -0.07 7.19 2.02 -0.57 0.12 112.91 122.66 1tzy h THR 71 Ca 0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1tzy h THR 71 Cb 0.89 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1tzy h THR 71 CO 0.07 0.09 0.03 1.88 0.37 0.00 0.00 175.52 177.97 1tzy h TYR 72 N 0.50 0.06 -0.60 3.16 0.05 -0.85 -1.46 116.97 117.83 1tzy h TYR 72 Ca 0.29 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.11 1tzy h TYR 72 Cb 0.28 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 1tzy h TYR 72 CO -0.13 0.04 0.35 1.15 -1.05 0.00 0.00 178.16 178.52 1tzy h THR 73 N 0.08 1.04 -0.37 -2.88 2.02 -0.74 -2.30 112.91 109.75 1tzy h THR 73 Ca 0.03 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1tzy h THR 73 Cb 0.00 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1tzy h THR 73 CO -0.02 0.12 -0.26 -0.33 0.37 0.00 0.00 175.52 175.40 1tzy h GLU 74 N 0.68 0.76 -0.95 6.66 5.08 -0.62 -1.82 114.58 124.36 1tzy h GLU 74 Ca 0.25 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1tzy h GLU 74 Cb 0.06 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1tzy h GLU 74 CO -0.12 0.94 0.60 1.25 -1.00 0.00 0.00 179.01 180.67 1tzy h HIS 75 N 0.65 1.22 -0.00 4.33 2.76 -1.03 0.13 115.15 123.21 1tzy h HIS 75 Ca 0.08 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1tzy h HIS 75 Cb 0.78 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1tzy h HIS 75 CO 0.04 0.79 0.00 0.00 -1.30 0.00 0.00 177.93 177.46 1tzy n ALA 76 N -2.39 2.68 -3.66 5.26 0.00 -0.89 -4.90 120.51 116.62 1tzy n ALA 76 Ca 0.11 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1tzy n ALA 76 Cb 0.04 -1.49 0.07 0.00 0.00 0.00 0.00 19.45 18.06 1tzy n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tzy n LYS 77 N -0.93 -7.31 -4.13 0.00 5.02 0.46 -5.00 118.16 106.27 1tzy n LYS 77 Ca 0.23 0.78 -0.22 0.00 -2.02 0.00 0.00 58.31 57.08 1tzy n LYS 77 Cb 0.12 -5.79 -0.05 0.00 -0.02 0.00 0.00 35.03 29.30 1tzy n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1tzy s ARG 78 N -6.30 2.88 0.00 1.97 0.52 -0.71 -5.04 118.95 112.27 1tzy s ARG 78 Ca 0.54 -1.07 0.05 0.00 -0.52 0.00 0.00 55.73 54.74 1tzy s ARG 78 Cb -0.25 -2.54 0.05 0.00 0.52 0.00 0.00 34.95 32.74 1tzy s ARG 78 CO 0.75 0.40 0.71 1.63 0.02 0.00 0.00 175.30 178.81 1tzy n LYS 79 N -1.11 0.01 -4.43 3.54 5.02 -1.26 -4.42 118.16 115.51 1tzy n LYS 79 Ca -0.08 -0.90 -0.33 0.00 -2.02 0.00 0.00 58.31 54.98 1tzy n LYS 79 Cb 0.58 -1.10 -0.15 0.00 -0.02 0.00 0.00 35.03 34.33 1tzy n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1tzy s THR 80 N -0.49 2.65 -0.14 -0.18 2.01 -1.26 -5.09 115.64 113.14 1tzy s THR 80 Ca 0.07 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 1tzy s THR 80 Cb 0.05 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1tzy s THR 80 CO 0.07 0.51 1.20 -0.69 -0.69 0.00 0.00 174.62 175.01 1tzy s VAL 81 N 0.92 4.36 0.44 3.82 1.01 -1.26 -4.98 120.40 124.72 1tzy s VAL 81 Ca -0.03 1.66 0.05 0.00 0.00 0.00 0.00 61.98 63.65 1tzy s VAL 81 Cb -0.15 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1tzy s VAL 81 CO -0.02 -0.10 0.62 0.42 0.00 0.00 0.00 175.10 176.02 1tzy s THR 82 N 3.02 3.34 0.21 3.92 -4.23 -1.26 -4.98 115.64 115.66 1tzy s THR 82 Ca 0.53 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 60.12 1tzy s THR 82 Cb -0.21 -3.18 0.15 0.00 1.34 0.00 0.00 72.50 70.60 1tzy s THR 82 CO 0.15 -0.09 1.85 0.00 -0.54 0.00 0.00 174.62 175.99 1tzy h ALA 83 N 0.51 0.96 -0.49 3.99 0.00 -1.96 -1.64 119.26 120.63 1tzy h ALA 83 Ca -0.43 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1tzy h ALA 83 Cb 1.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1tzy h ALA 83 CO 0.51 0.22 0.10 1.98 0.00 0.00 0.00 179.25 182.06 1tzy h MET 84 N 0.87 0.74 -0.75 0.00 1.85 -1.95 0.10 114.93 115.79 1tzy h MET 84 Ca 0.30 -0.15 0.09 0.00 -0.61 0.00 0.00 59.70 59.33 1tzy h MET 84 Cb 0.05 -0.11 -0.07 0.00 0.43 0.00 0.00 31.60 31.89 1tzy h MET 84 CO -0.12 0.68 0.40 -0.44 -0.40 0.00 0.00 176.91 177.03 1tzy h ASP 85 N 0.72 0.55 -0.37 1.39 3.32 -1.67 0.04 116.42 120.41 1tzy h ASP 85 Ca 0.16 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1tzy h ASP 85 Cb 0.29 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1tzy h ASP 85 CO -0.00 0.32 -0.01 0.58 -1.72 0.00 0.00 179.24 178.41 1tzy h VAL 86 N 0.68 1.26 -0.39 -1.35 2.07 -0.76 -1.16 116.25 116.60 1tzy h VAL 86 Ca 0.36 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1tzy h VAL 86 Cb 0.35 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1tzy h VAL 86 CO -0.25 0.34 0.20 0.58 0.02 0.00 0.00 177.57 178.45 1tzy h VAL 87 N 0.47 0.99 -0.72 2.57 2.07 -0.59 0.13 116.25 121.18 1tzy h VAL 87 Ca 0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1tzy h VAL 87 Cb 0.48 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1tzy h VAL 87 CO 0.02 0.07 0.40 1.88 0.02 0.00 0.00 177.57 179.96 1tzy h TYR 88 N 0.41 0.98 -0.86 1.57 -1.99 -0.97 -0.90 116.97 115.20 1tzy h TYR 88 Ca 0.16 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 1tzy h TYR 88 Cb 0.06 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 38.43 1tzy h TYR 88 CO -0.09 0.69 0.52 0.00 -0.00 0.00 0.00 178.16 179.27 1tzy h ALA 89 N 1.20 1.10 -0.55 3.88 0.00 -0.73 -2.19 119.26 121.98 1tzy h ALA 89 Ca 0.25 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1tzy h ALA 89 Cb 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1tzy h ALA 89 CO -0.04 0.56 -0.03 -0.07 0.00 0.00 0.00 179.25 179.67 1tzy h LEU 90 N 1.19 0.98 -1.56 0.00 3.38 -0.46 -1.90 115.31 116.94 1tzy h LEU 90 Ca 0.31 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1tzy h LEU 90 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1tzy h LEU 90 CO -0.06 1.06 0.36 0.50 0.09 0.00 0.00 178.44 180.39 1tzy h LYS 91 N 0.87 0.54 -0.44 1.13 1.63 -0.01 -0.66 116.57 119.63 1tzy h LYS 91 Ca 0.15 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1tzy h LYS 91 Cb 0.58 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1tzy h LYS 91 CO 0.03 0.36 0.18 0.00 -3.45 0.00 0.00 179.45 176.57 1tzy h ARG 92 N 0.56 0.62 -0.34 1.90 2.47 -0.72 -0.50 114.38 118.38 1tzy h ARG 92 Ca 0.22 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1tzy h ARG 92 Cb 0.19 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1tzy h ARG 92 CO -0.06 0.51 0.00 1.04 0.56 0.00 0.00 179.97 182.02 1tzy n GLN 93 N -4.37 1.60 -1.06 0.04 1.13 -0.37 -4.91 117.38 109.44 1tzy n GLN 93 Ca 0.03 -0.78 -0.02 0.00 -1.94 0.00 0.00 57.00 54.30 1tzy n GLN 93 Cb 0.14 -1.27 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 1tzy n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tzy n GLY 94 N 0.71 0.55 3.46 1.08 0.00 -0.19 -5.04 105.19 105.76 1tzy n GLY 94 Ca 0.07 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1tzy n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tzy s ARG 95 N -1.57 3.44 -0.28 1.61 0.52 -0.52 -4.97 118.95 117.18 1tzy s ARG 95 Ca 0.00 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.58 1tzy s ARG 95 Cb 0.00 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 32.73 1tzy s ARG 95 CO 0.00 0.29 0.02 0.99 0.02 0.00 0.00 175.30 176.62 1tzy s THR 96 N 0.19 3.45 -0.22 0.02 2.01 -1.26 -1.45 115.64 118.38 1tzy s THR 96 Ca -0.04 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 1tzy s THR 96 Cb -0.14 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1tzy s THR 96 CO 0.04 0.11 0.13 -0.22 -0.69 0.00 0.00 174.62 174.00 1tzy s LEU 97 N 1.41 4.07 -0.05 4.42 2.96 -1.26 -5.08 118.68 125.16 1tzy s LEU 97 Ca 0.01 0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1tzy s LEU 97 Cb -0.17 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1tzy s LEU 97 CO -0.01 0.11 0.20 -0.31 -1.32 0.00 0.00 176.35 175.02 1tzy s TYR 98 N 0.79 3.59 0.00 5.38 2.02 -1.26 -4.65 117.35 123.21 1tzy s TYR 98 Ca 0.07 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 1tzy s TYR 98 Cb -0.13 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1tzy s TYR 98 CO 0.02 0.67 0.00 0.41 -1.57 0.00 0.00 175.55 175.08 1tzy n GLY 99 N 1.43 1.29 0.40 0.71 0.00 -1.26 -5.01 105.19 102.74 1tzy n GLY 99 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1tzy n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tzy n PHE 100 N 0.00 0.22 1.04 1.61 3.01 -1.26 -4.71 117.46 117.37 1tzy n PHE 100 Ca 0.00 -1.15 0.11 0.00 1.01 0.00 0.00 57.45 57.42 1tzy n PHE 100 Cb 0.00 -0.22 0.34 0.00 -0.01 0.00 0.00 39.48 39.58 1tzy n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tzy n GLY 101 N -1.21 0.60 0.74 1.37 0.00 -1.26 -4.48 105.19 100.95 1tzy n GLY 101 Ca 0.19 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1tzy n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93