#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w50 s ASP 10 N 0.00 5.71 -1.72 0.00 2.15 -1.26 -3.49 116.67 118.06 2w50 s ASP 10 Ca 0.00 2.44 0.00 0.00 0.43 0.00 0.00 52.55 55.42 2w50 s ASP 10 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 2w50 s ASP 10 CO 0.00 -1.24 0.00 0.00 -0.17 0.00 0.00 175.17 173.76 2w50 h GLU 12 N 0.00 0.64 -0.36 0.00 4.57 -1.78 0.14 114.58 117.80 2w50 h GLU 12 Ca -0.45 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 57.45 2w50 h GLU 12 Cb 1.33 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 2w50 h GLU 12 CO 0.55 0.87 0.23 0.28 -1.18 0.00 0.00 179.01 179.76 2w50 h VAL 13 N 0.40 1.07 -0.14 0.32 2.07 -1.90 -1.58 116.25 116.49 2w50 h VAL 13 Ca 0.07 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2w50 h VAL 13 Cb 0.68 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2w50 h VAL 13 CO 0.05 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.81 2w50 h LYS 15 N 0.18 0.64 -0.25 0.00 3.64 -0.45 -1.66 116.57 118.67 2w50 h LYS 15 Ca 0.05 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 2w50 h LYS 15 Cb -0.01 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2w50 h LYS 15 CO -0.01 0.49 -0.50 0.93 -2.27 0.00 0.00 179.45 178.09 2w50 h GLU 16 N 0.61 0.69 -0.51 1.90 4.39 -1.26 -0.96 114.58 119.44 2w50 h GLU 16 Ca 0.16 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 2w50 h GLU 16 Cb 0.03 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2w50 h GLU 16 CO -0.03 1.03 0.15 0.35 -1.16 0.00 0.00 179.01 179.34 2w50 h PHE 17 N 0.54 0.84 -0.35 4.33 3.57 -1.18 0.54 116.94 125.23 2w50 h PHE 17 Ca 0.02 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 2w50 h PHE 17 Cb 1.06 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2w50 h PHE 17 CO 0.05 0.73 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.59 2w50 h LEU 18 N 0.71 0.66 -0.74 0.59 3.38 -1.13 -1.28 115.31 117.50 2w50 h LEU 18 Ca 0.16 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2w50 h LEU 18 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2w50 h LEU 18 CO -0.00 0.86 -0.33 0.78 0.09 0.00 0.00 178.44 179.84 2w50 h ASN 19 N 0.59 0.61 -0.47 -0.43 2.35 -0.85 0.21 115.58 117.59 2w50 h ASN 19 Ca 0.09 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.61 2w50 h ASN 19 Cb 0.67 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2w50 h ASN 19 CO 0.05 0.90 0.28 -0.09 -1.65 0.00 0.00 177.43 176.92 2w50 h ARG 20 N 0.50 0.56 -0.17 0.81 2.43 -0.63 -1.11 114.38 116.77 2w50 h ARG 20 Ca 0.06 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2w50 h ARG 20 Cb 0.81 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2w50 h ARG 20 CO 0.07 0.37 0.10 0.35 -1.51 0.00 0.00 179.97 179.34 2w50 h PHE 21 N 0.57 0.19 -0.60 2.20 3.57 -0.82 -1.62 116.94 120.43 2w50 h PHE 21 Ca 0.18 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2w50 h PHE 21 Cb -0.00 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 2w50 h PHE 21 CO -0.06 0.11 0.31 1.88 -2.23 0.00 0.00 178.31 178.32 2w50 h TYR 22 N 0.21 0.57 -0.71 0.41 0.05 -0.82 -1.93 116.97 114.75 2w50 h TYR 22 Ca 0.06 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 2w50 h TYR 22 Cb -0.01 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 2w50 h TYR 22 CO -0.08 0.27 0.26 0.87 -1.05 0.00 0.00 178.16 178.43 2w50 h LYS 23 N 0.59 1.06 -0.30 4.88 1.57 -1.00 -0.90 116.57 122.48 2w50 h LYS 23 Ca 0.27 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2w50 h LYS 23 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2w50 h LYS 23 CO -0.18 0.88 0.19 1.03 -0.57 0.00 0.00 179.45 180.80 2w50 h SER 24 N 1.03 0.35 -0.11 0.86 0.87 -0.73 0.11 113.55 115.93 2w50 h SER 24 Ca 0.23 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2w50 h SER 24 Cb 0.24 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2w50 h SER 24 CO -0.02 0.28 0.07 -0.07 -0.53 0.00 0.00 176.83 176.57 2w50 h LEU 25 N 0.40 0.13 -0.41 2.23 3.38 -1.05 -2.43 115.31 117.56 2w50 h LEU 25 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2w50 h LEU 25 Cb -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2w50 h LEU 25 CO -0.02 0.10 0.18 0.40 0.09 0.00 0.00 178.44 179.19 2w50 h ILE 26 N 0.15 1.18 -0.27 1.22 2.04 -1.03 -1.33 117.51 119.47 2w50 h ILE 26 Ca 0.04 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2w50 h ILE 26 Cb -0.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2w50 h ILE 26 CO -0.01 0.20 0.03 0.44 0.00 0.00 0.00 178.15 178.81 2w50 h ASP 27 N 0.51 0.37 -0.18 1.72 3.32 -0.73 -1.91 116.42 119.52 2w50 h ASP 27 Ca 0.14 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2w50 h ASP 27 Cb 0.15 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2w50 h ASP 27 CO -0.01 0.41 0.00 0.54 -1.72 0.00 0.00 179.24 178.46 2w50 n ARG 28 N -4.35 1.82 -2.12 3.56 1.74 -0.92 -4.94 116.66 111.45 2w50 n ARG 28 Ca 0.01 -1.23 -0.17 0.00 -0.77 0.00 0.00 57.85 55.69 2w50 n ARG 28 Cb 0.19 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 2w50 n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w50 n GLY 29 N 1.17 0.18 3.76 -0.13 0.00 -0.69 -4.96 105.19 104.52 2w50 n GLY 29 Ca 0.16 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2w50 n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w50 s VAL 30 N -2.81 3.04 0.09 1.61 1.01 -0.59 -5.00 120.40 117.76 2w50 s VAL 30 Ca 0.00 0.98 -0.31 0.00 0.00 0.00 0.00 61.98 62.65 2w50 s VAL 30 Cb 0.00 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 2w50 s VAL 30 CO 0.00 0.21 1.29 0.21 0.00 0.00 0.00 175.10 176.81 2w50 s ASN 31 N -0.32 6.96 -1.09 3.32 2.47 -1.26 -4.83 114.94 120.19 2w50 s ASN 31 Ca 0.50 2.17 -0.05 0.00 0.42 0.00 0.00 52.86 55.90 2w50 s ASN 31 Cb -0.37 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 36.93 2w50 s ASN 31 CO 0.46 -0.55 2.54 0.49 -3.72 0.00 0.00 177.10 176.32 2w50 n PHE 32 N 3.88 2.27 -3.42 0.43 3.01 -1.26 -4.52 117.46 117.85 2w50 n PHE 32 Ca 0.10 -2.58 -0.29 0.00 1.01 0.00 0.00 57.45 55.69 2w50 n PHE 32 Cb 0.44 -1.75 -0.03 0.00 -0.01 0.00 0.00 39.48 38.13 2w50 n PHE 32 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2w50 s SER 33 N 0.50 6.44 0.13 4.37 1.04 -1.26 -4.66 113.70 120.26 2w50 s SER 33 Ca 0.56 0.66 -0.26 0.00 0.48 0.00 0.00 55.95 57.39 2w50 s SER 33 Cb 0.24 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.22 2w50 s SER 33 CO -0.12 -0.15 1.62 -0.07 0.98 0.00 0.00 173.24 175.49 2w50 h LEU 34 N 1.82 -0.93 -0.98 2.42 3.38 -1.91 0.42 115.31 119.52 2w50 h LEU 34 Ca -0.48 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2w50 h LEU 34 Cb 1.19 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 2w50 h LEU 34 CO 0.67 -0.35 0.36 -0.78 0.09 0.00 0.00 178.44 178.43 2w50 h ASP 35 N -0.39 0.99 -0.18 -0.43 3.58 -1.97 -0.51 116.42 117.51 2w50 h ASP 35 Ca 0.09 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2w50 h ASP 35 Cb 0.53 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2w50 h ASP 35 CO -0.33 0.84 -0.03 0.74 -2.88 0.00 0.00 179.24 177.58 2w50 h THR 36 N 1.08 1.28 -0.44 2.25 2.02 -1.78 -2.34 112.91 114.98 2w50 h THR 36 Ca 0.26 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.52 2w50 h THR 36 Cb 0.12 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 2w50 h THR 36 CO -0.03 0.29 0.22 0.40 0.37 0.00 0.00 175.52 176.77 2w50 h ILE 37 N 0.06 0.97 -0.27 3.11 2.04 -0.61 -1.25 117.51 121.57 2w50 h ILE 37 Ca 0.05 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2w50 h ILE 37 Cb 0.45 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2w50 h ILE 37 CO 0.01 0.08 0.05 -0.33 0.00 0.00 0.00 178.15 177.97 2w50 h GLU 38 N 0.45 0.15 -0.60 2.37 5.08 -1.02 0.83 114.58 121.83 2w50 h GLU 38 Ca 0.19 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2w50 h GLU 38 Cb 0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2w50 h GLU 38 CO -0.13 0.10 0.25 0.87 -1.00 0.00 0.00 179.01 179.09 2w50 h LYS 39 N 0.15 0.90 -0.67 2.33 1.57 -1.23 -1.26 116.57 118.35 2w50 h LYS 39 Ca 0.12 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2w50 h LYS 39 Cb 0.13 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2w50 h LYS 39 CO -0.17 0.76 0.42 0.93 -0.57 0.00 0.00 179.45 180.83 2w50 h GLU 40 N 0.83 0.90 -0.56 3.15 4.39 -0.89 -2.23 114.58 120.18 2w50 h GLU 40 Ca 0.20 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 2w50 h GLU 40 Cb 0.19 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2w50 h GLU 40 CO -0.02 0.63 -0.07 1.25 -1.16 0.00 0.00 179.01 179.64 2w50 h LEU 41 N 0.91 1.01 -0.31 1.33 5.85 -0.52 -0.39 115.31 123.20 2w50 h LEU 41 Ca 0.24 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2w50 h LEU 41 Cb -0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2w50 h LEU 41 CO -0.05 1.10 0.18 0.40 -0.34 0.00 0.00 178.44 179.73 2w50 h ILE 42 N 0.92 1.03 -0.46 4.05 2.04 -1.13 -1.40 117.51 122.56 2w50 h ILE 42 Ca 0.15 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2w50 h ILE 42 Cb 0.62 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2w50 h ILE 42 CO 0.04 0.07 0.30 0.28 0.00 0.00 0.00 178.15 178.84 2w50 h SER 43 N 0.37 0.53 -0.24 1.72 0.02 -1.24 -2.41 113.55 112.31 2w50 h SER 43 Ca 0.12 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2w50 h SER 43 Cb -0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2w50 h SER 43 CO -0.06 0.39 0.11 0.15 -1.14 0.00 0.00 176.83 176.28 2w50 h PHE 44 N 0.62 0.41 -0.00 3.45 3.57 -0.84 -2.40 116.94 121.75 2w50 h PHE 44 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2w50 h PHE 44 Cb -0.06 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2w50 h PHE 44 CO -0.04 0.34 -0.17 0.00 -2.23 0.00 0.00 178.31 176.21 2w50 h LEU 46 N 0.63 0.56 -1.65 0.00 5.85 -0.95 -3.04 115.31 116.72 2w50 h LEU 46 Ca 0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2w50 h LEU 46 Cb 0.41 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2w50 h LEU 46 CO 0.00 0.82 0.00 0.47 -0.34 0.00 0.00 178.44 179.39 2w50 n ASP 47 N -4.48 2.40 -4.77 1.25 9.92 -1.26 -4.94 116.55 114.67 2w50 n ASP 47 Ca -0.03 -1.97 -0.38 0.00 -0.53 0.00 0.00 54.79 51.88 2w50 n ASP 47 Cb 0.33 -0.28 -0.01 0.00 -0.64 0.00 0.00 41.12 40.52 2w50 n ASP 47 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2w50 s THR 48 N -1.43 3.03 0.38 -3.53 -4.23 -1.15 -5.05 115.64 103.66 2w50 s THR 48 Ca 0.31 0.81 0.04 0.00 -1.18 0.00 0.00 61.69 61.67 2w50 s THR 48 Cb 0.16 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 2w50 s THR 48 CO 0.22 0.03 0.05 -0.54 -0.54 0.00 0.00 174.62 173.84 2w50 s LYS 49 N -2.54 1.83 3.51 3.99 1.02 -1.26 -4.56 119.74 121.73 2w50 s LYS 49 Ca 0.61 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.54 2w50 s LYS 49 Cb -0.31 -1.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 2w50 s LYS 49 CO 0.38 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 2w50 n GLY 50 N -0.86 2.94 0.29 -3.33 0.00 -1.26 -2.19 105.19 100.78 2w50 n GLY 50 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2w50 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w50 h LYS 51 N 0.00 0.71 -0.20 1.61 1.79 -1.98 -1.76 116.57 116.73 2w50 h LYS 51 Ca 0.00 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 2w50 h LYS 51 Cb 0.00 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2w50 h LYS 51 CO 0.00 0.69 -0.07 0.93 -1.08 0.00 0.00 179.45 179.93 2w50 h GLU 52 N 0.67 0.31 -0.30 3.15 5.08 -1.88 0.64 114.58 122.26 2w50 h GLU 52 Ca 0.14 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 2w50 h GLU 52 Cb 0.36 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2w50 h GLU 52 CO 0.01 0.40 -0.52 -0.97 -1.00 0.00 0.00 179.01 176.93 2w50 h ASN 53 N 0.30 0.95 -0.45 1.42 -1.24 -0.86 -0.66 115.58 115.05 2w50 h ASN 53 Ca 0.07 -0.49 -0.02 0.00 0.71 0.00 0.00 56.30 56.56 2w50 h ASN 53 Cb 0.32 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 2w50 h ASN 53 CO 0.01 1.29 0.18 0.03 -1.29 0.00 0.00 177.43 177.65 2w50 h ARG 54 N 0.67 0.66 -0.49 6.67 3.08 -1.02 -1.54 114.38 122.41 2w50 h ARG 54 Ca 0.02 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.04 2w50 h ARG 54 Cb 1.12 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 2w50 h ARG 54 CO 0.12 0.60 0.11 1.25 -1.07 0.00 0.00 179.97 180.98 2w50 h LEU 55 N 0.58 0.03 -1.55 3.04 5.85 -0.82 -1.84 115.31 120.59 2w50 h LEU 55 Ca 0.15 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2w50 h LEU 55 Cb 0.18 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2w50 h LEU 55 CO -0.01 0.04 0.12 0.00 -0.34 0.00 0.00 178.44 178.25 2w50 h TYR 57 N 0.42 0.39 0.00 0.00 3.20 -0.80 0.57 116.97 120.75 2w50 h TYR 57 Ca 0.11 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2w50 h TYR 57 Cb 0.09 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2w50 h TYR 57 CO 0.00 0.53 -0.01 1.88 -1.64 0.00 0.00 178.16 178.93 2w50 h TYR 58 N 0.13 0.00 -0.00 -3.82 0.05 -0.40 -0.69 116.97 112.24 2w50 h TYR 58 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2w50 h TYR 58 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2w50 h TYR 58 CO 0.03 0.01 -0.11 1.28 -1.05 0.00 0.00 178.16 178.32 2w50 n LEU 59 N -3.11 0.49 -0.25 3.88 4.77 -0.01 -4.94 117.00 117.82 2w50 n LEU 59 Ca -0.01 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 2w50 n LEU 59 Cb 0.20 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2w50 n LEU 59 CO 0.24 0.09 -0.03 0.61 -1.33 0.00 0.00 177.39 176.97 2w50 n GLY 60 N 1.27 0.61 0.72 -0.72 0.00 -0.27 -3.53 105.19 103.28 2w50 n GLY 60 Ca 0.15 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.33 2w50 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w50 n ALA 61 N 0.95 2.77 -2.48 4.61 0.00 0.16 -4.35 120.51 122.17 2w50 n ALA 61 Ca -0.03 -2.19 -0.23 0.00 0.00 0.00 0.00 53.44 50.98 2w50 n ALA 61 Cb 0.13 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 2w50 n ALA 61 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2w50 s THR 62 N -2.58 2.81 0.35 0.00 -4.23 -1.24 -4.69 115.64 106.05 2w50 s THR 62 Ca 0.37 -1.68 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 2w50 s THR 62 Cb 0.30 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.47 2w50 s THR 62 CO 0.09 -0.13 1.92 0.07 -0.54 0.00 0.00 174.62 176.03 2w50 h LYS 63 N 1.49 0.74 -0.60 3.99 2.10 -1.97 -2.24 116.57 120.09 2w50 h LYS 63 Ca -0.43 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2w50 h LYS 63 Cb 1.25 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2w50 h LYS 63 CO 0.64 0.49 0.00 -0.40 -2.00 0.00 0.00 179.45 178.19 2w50 n ASP 64 N -4.51 3.37 -4.88 7.07 5.75 -1.26 -4.95 116.55 117.14 2w50 n ASP 64 Ca 0.13 -2.13 -0.21 0.00 -0.01 0.00 0.00 54.79 52.57 2w50 n ASP 64 Cb 0.31 -0.43 0.07 0.00 -1.03 0.00 0.00 41.12 40.03 2w50 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2w50 s ALA 65 N -1.43 4.10 -0.35 2.12 0.00 -0.84 -5.06 121.76 120.29 2w50 s ALA 65 Ca 0.39 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 2w50 s ALA 65 Cb 0.22 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2w50 s ALA 65 CO 0.24 -0.99 0.63 0.00 0.00 0.00 0.00 175.76 175.63 2w50 s ALA 66 N -2.83 3.47 0.60 0.00 0.00 -1.26 -4.92 121.76 116.81 2w50 s ALA 66 Ca 0.62 -0.84 0.31 0.00 0.00 0.00 0.00 51.96 52.04 2w50 s ALA 66 Cb -0.07 -3.15 1.79 0.00 0.00 0.00 0.00 23.12 21.68 2w50 s ALA 66 CO 0.40 -1.30 2.18 1.79 0.00 0.00 0.00 175.76 178.83 2w50 h THR 67 N 5.65 0.43 -0.44 0.00 1.35 -1.95 -1.01 112.91 116.95 2w50 h THR 67 Ca -0.27 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.63 2w50 h THR 67 Cb 1.11 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 2w50 h THR 67 CO 0.83 0.00 0.21 0.50 -0.25 0.00 0.00 175.52 176.81 2w50 h LYS 68 N 0.00 0.41 -0.38 4.72 3.64 -1.94 -1.85 116.57 121.18 2w50 h LYS 68 Ca 0.04 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 2w50 h LYS 68 Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2w50 h LYS 68 CO -0.00 0.27 -0.26 0.82 -2.27 0.00 0.00 179.45 178.01 2w50 h ILE 69 N 0.42 1.27 -0.84 2.00 2.04 -1.55 -2.70 117.51 118.17 2w50 h ILE 69 Ca 0.19 -1.39 0.11 0.00 1.00 0.00 0.00 64.86 64.77 2w50 h ILE 69 Cb 0.11 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 2w50 h ILE 69 CO -0.14 0.46 0.47 0.25 0.00 0.00 0.00 178.15 179.19 2w50 h LEU 70 N 0.67 0.64 -1.03 1.44 5.85 -1.07 -0.96 115.31 120.85 2w50 h LEU 70 Ca 0.08 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 2w50 h LEU 70 Cb 0.79 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2w50 h LEU 70 CO 0.06 0.34 -0.32 -1.28 -0.34 0.00 0.00 178.44 176.91 2w50 h SER 71 N 0.75 0.31 0.89 1.25 0.87 -1.16 0.53 113.55 116.99 2w50 h SER 71 Ca 0.42 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2w50 h SER 71 Cb 0.45 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2w50 h SER 71 CO -0.28 0.62 0.00 -0.33 -0.53 0.00 0.00 176.83 176.31 2w50 h GLU 72 N 0.27 0.00 0.01 2.24 4.39 -0.87 -1.89 114.58 118.72 2w50 h GLU 72 Ca 0.04 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.34 2w50 h GLU 72 Cb 0.69 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 2w50 h GLU 72 CO 0.05 0.00 -2.23 0.28 -1.16 0.00 0.00 179.01 175.95 2w50 n VAL 73 N -2.43 1.55 0.07 3.13 0.31 -0.81 -4.40 118.33 115.74 2w50 n VAL 73 Ca 0.02 -0.38 -0.06 0.00 -0.01 0.00 0.00 64.34 63.91 2w50 n VAL 73 Cb 0.27 -1.80 0.10 0.00 -0.91 0.00 0.00 33.84 31.50 2w50 n VAL 73 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2w50 h THR 74 N -0.68 1.38 0.01 2.52 1.35 -0.90 -2.27 112.91 114.31 2w50 h THR 74 Ca -0.58 -1.97 -0.00 0.00 -0.55 0.00 0.00 66.41 63.31 2w50 h THR 74 Cb 1.66 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 2w50 h THR 74 CO -0.26 0.59 -0.00 0.03 -0.25 0.00 0.00 175.52 175.62 2w50 h ARG 75 N 0.22 -0.01 -0.31 4.72 3.08 -1.58 -0.78 114.38 119.72 2w50 h ARG 75 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2w50 h ARG 75 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 2w50 h ARG 75 CO 0.10 0.01 0.07 -1.35 -1.07 0.00 0.00 179.97 177.73 2w50 h PRO 76 N -0.03 0.44 -0.19 0.04 0.11 -1.75 -2.33 132.00 128.29 2w50 h PRO 76 Ca -0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2w50 h PRO 76 Cb 0.03 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 2w50 h PRO 76 CO 0.00 0.41 -0.07 0.52 -0.21 0.00 0.00 178.00 178.66 2w50 h MET 77 N 0.44 0.29 0.00 1.05 2.86 -0.87 -0.92 114.93 117.78 2w50 h MET 77 Ca 0.10 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2w50 h MET 77 Cb 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2w50 h MET 77 CO -0.00 0.38 -0.01 0.66 1.06 0.00 0.00 176.91 178.99 2w50 h SER 78 N 0.29 0.00 -0.34 1.22 4.64 -0.57 0.16 113.55 118.94 2w50 h SER 78 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2w50 h SER 78 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2w50 h SER 78 CO 0.01 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.32 2w50 n VAL 79 N -3.31 2.24 -2.98 0.95 0.24 -0.94 -4.94 118.33 109.59 2w50 n VAL 79 Ca -0.02 -1.69 -0.22 0.00 -2.04 0.00 0.00 64.34 60.37 2w50 n VAL 79 Cb 0.12 -0.17 0.02 0.00 -1.47 0.00 0.00 33.84 32.33 2w50 n VAL 79 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2w50 n HIS 80 N -0.13 -1.82 -1.67 6.34 8.25 0.04 -4.92 115.22 121.31 2w50 n HIS 80 Ca 0.22 0.44 -0.45 0.00 -0.26 0.00 0.00 57.72 57.67 2w50 n HIS 80 Cb 0.91 -4.18 -0.03 0.00 1.12 0.00 0.00 29.99 27.81 2w50 n HIS 80 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2w50 n MET 81 N -3.84 2.02 -1.67 -0.41 0.00 -0.39 -4.87 117.12 107.96 2w50 n MET 81 Ca -0.12 0.72 -0.43 0.00 0.00 0.00 0.00 57.70 57.87 2w50 n MET 81 Cb 0.62 -2.39 -0.01 0.00 0.00 0.00 0.00 33.22 31.44 2w50 n MET 81 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2w50 n PRO 82 N 2.19 1.89 -0.32 2.12 -0.02 -1.26 -4.76 135.00 134.84 2w50 n PRO 82 Ca 0.12 0.66 0.06 0.00 -2.02 0.00 0.00 63.50 62.33 2w50 n PRO 82 Cb 0.31 -2.18 0.26 0.00 -0.02 0.00 0.00 33.50 31.86 2w50 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2w50 h ALA 83 N 2.38 1.56 -0.65 3.55 0.00 -1.90 -1.21 119.26 122.99 2w50 h ALA 83 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2w50 h ALA 83 Cb 1.30 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2w50 h ALA 83 CO 0.62 0.25 0.42 1.98 0.00 0.00 0.00 179.25 182.51 2w50 h MET 84 N 0.98 0.87 -0.35 0.00 1.85 -1.88 -0.89 114.93 115.50 2w50 h MET 84 Ca 0.44 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 59.38 2w50 h MET 84 Cb 0.38 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 2w50 h MET 84 CO -0.20 0.60 -0.13 0.87 -0.40 0.00 0.00 176.91 177.65 2w50 h LYS 85 N 0.88 0.62 -0.06 0.39 1.57 -1.59 0.14 116.57 118.53 2w50 h LYS 85 Ca 0.24 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2w50 h LYS 85 Cb -0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2w50 h LYS 85 CO -0.05 0.73 0.03 0.82 -0.57 0.00 0.00 179.45 180.41 2w50 h ILE 86 N 0.56 1.11 -0.75 1.86 2.04 -0.92 -1.34 117.51 120.06 2w50 h ILE 86 Ca 0.10 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.71 2w50 h ILE 86 Cb 0.55 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 2w50 h ILE 86 CO 0.03 0.09 0.44 0.00 0.00 0.00 0.00 178.15 178.71 2w50 h GLU 88 N 0.81 0.77 -0.41 0.00 4.39 -0.87 -0.71 114.58 118.56 2w50 h GLU 88 Ca 0.33 -0.27 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2w50 h GLU 88 Cb 0.18 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2w50 h GLU 88 CO -0.18 0.87 0.18 -0.22 -1.16 0.00 0.00 179.01 178.51 2w50 h LYS 89 N 0.69 0.36 0.00 2.33 3.64 -0.77 -2.90 116.57 119.93 2w50 h LYS 89 Ca 0.11 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2w50 h LYS 89 Cb 0.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2w50 h LYS 89 CO 0.04 0.24 -0.40 -0.07 -2.27 0.00 0.00 179.45 176.99 2w50 h LEU 90 N 0.38 0.00 -1.74 5.20 3.38 -0.76 -2.99 115.31 118.77 2w50 h LEU 90 Ca 0.18 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.27 2w50 h LEU 90 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2w50 h LEU 90 CO -0.15 0.40 0.39 0.50 0.09 0.00 0.00 178.44 179.68 2w50 h LYS 91 N 0.00 0.27 0.00 1.13 3.64 -0.93 -0.54 116.57 120.15 2w50 h LYS 91 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2w50 h LYS 91 Cb 0.98 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2w50 h LYS 91 CO 0.05 0.18 -0.14 0.87 -2.27 0.00 0.00 179.45 178.14 2w50 h LYS 92 N 0.28 0.00 0.00 1.90 1.79 -1.58 -2.91 116.57 116.06 2w50 h LYS 92 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2w50 h LYS 92 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2w50 h LYS 92 CO -0.06 0.14 0.00 1.28 -1.08 0.00 0.00 179.45 179.73 2w50 n LEU 93 N -3.75 0.92 -4.01 2.94 4.77 -0.22 -4.85 117.00 112.81 2w50 n LEU 93 Ca -0.02 0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 55.99 2w50 n LEU 93 Cb 0.25 -0.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.84 2w50 n LEU 93 CO 0.31 -0.34 -0.46 -0.62 -1.33 0.00 0.00 177.39 174.95 2w50 s ASP 94 N -2.39 3.68 0.59 -1.43 -1.08 -1.15 -5.01 116.67 109.88 2w50 s ASP 94 Ca 0.00 -1.03 0.36 0.00 -0.52 0.00 0.00 52.55 51.36 2w50 s ASP 94 Cb 0.00 -1.31 1.83 0.00 -1.46 0.00 0.00 42.92 41.99 2w50 s ASP 94 CO 0.00 -0.16 2.17 0.77 0.52 0.00 0.00 175.17 178.47 2w50 h SER 95 N 7.93 0.00 -0.22 -0.34 4.64 -1.77 -2.93 113.55 120.85 2w50 h SER 95 Ca -0.25 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2w50 h SER 95 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2w50 h SER 95 CO 0.47 0.03 0.20 1.56 -0.87 0.00 0.00 176.83 178.22 2w50 h GLN 96 N 0.00 0.00 -0.96 4.77 1.08 -1.95 -1.53 115.11 116.52 2w50 h GLN 96 Ca -0.00 0.00 0.24 0.00 -1.45 0.00 0.00 58.65 57.44 2w50 h GLN 96 Cb 0.25 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 2w50 h GLN 96 CO 0.00 0.00 0.64 0.97 -0.95 0.00 0.00 178.83 179.49 2w50 h ILE 97 N 0.00 0.60 -0.02 2.54 2.10 -1.88 -1.86 117.51 118.99 2w50 h ILE 97 Ca 0.11 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.93 2w50 h ILE 97 Cb 0.51 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 2w50 h ILE 97 CO -0.00 0.06 -0.16 0.00 -1.08 0.00 0.00 178.15 176.97 2w50 n GLU 99 N 0.76 1.58 -1.68 0.00 1.02 -0.72 -2.22 120.64 119.38 2w50 n GLU 99 Ca 0.13 -1.15 -0.43 0.00 -0.02 0.00 0.00 57.16 55.68 2w50 n GLU 99 Cb 0.53 -1.34 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 2w50 n GLU 99 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2w50 n LEU 100 N 0.35 3.26 -4.02 -4.62 4.77 -1.11 -5.02 117.00 110.59 2w50 n LEU 100 Ca 0.09 1.18 -0.18 0.00 -0.03 0.00 0.00 56.01 57.07 2w50 n LEU 100 Cb 0.41 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 39.91 2w50 n LEU 100 CO 0.18 -0.55 -0.43 -0.54 -1.33 0.00 0.00 177.39 174.72 2w50 s LYS 101 N -1.29 0.69 0.68 3.23 1.02 -1.26 -4.57 119.74 118.24 2w50 s LYS 101 Ca 0.60 -0.36 -0.15 0.00 0.02 0.00 0.00 55.97 56.08 2w50 s LYS 101 Cb -0.61 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.06 2w50 s LYS 101 CO 0.57 0.18 1.15 0.71 -0.92 0.00 0.00 175.35 177.03 2w50 s TYR 102 N -0.31 2.42 0.07 3.18 2.02 -1.26 -4.92 117.35 118.55 2w50 s TYR 102 Ca 0.02 1.57 -0.35 0.00 -0.37 0.00 0.00 57.07 57.94 2w50 s TYR 102 Cb -0.04 -3.28 -0.15 0.00 -0.40 0.00 0.00 41.96 38.09 2w50 s TYR 102 CO -0.00 -2.01 1.53 0.39 -1.57 0.00 0.00 175.55 173.89 2w50 n GLU 103 N -2.45 1.70 0.27 -0.62 1.02 -1.26 -4.92 120.64 114.39 2w50 n GLU 103 Ca 0.12 0.61 -0.14 0.00 -0.02 0.00 0.00 57.16 57.73 2w50 n GLU 103 Cb 0.51 -2.34 -0.07 0.00 -0.02 0.00 0.00 31.44 29.52 2w50 n GLU 103 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2w50 h LYS 104 N 5.85 -0.70 0.00 3.49 3.64 -2.07 -3.55 116.57 123.24 2w50 h LYS 104 Ca -0.46 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2w50 h LYS 104 Cb 1.29 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2w50 h LYS 104 CO 0.86 -0.39 0.00 -2.37 -2.27 0.00 0.00 179.45 175.27