#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y96 s SER 2 N 0.00 6.61 0.20 6.12 1.04 -1.26 -4.95 113.70 121.46 1y96 s SER 2 Ca 0.00 1.70 -0.11 0.00 0.48 0.00 0.00 55.95 58.02 1y96 s SER 2 Cb 0.00 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.85 1y96 s SER 2 CO 0.00 -0.59 1.72 -0.33 0.98 0.00 0.00 173.24 175.02 1y96 h GLU 3 N 1.35 0.28 -0.67 4.02 5.08 -1.90 -2.46 114.58 120.28 1y96 h GLU 3 Ca -0.48 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1y96 h GLU 3 Cb 1.19 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1y96 h GLU 3 CO 0.60 0.19 0.32 2.35 -1.00 0.00 0.00 179.01 181.47 1y96 h TRP 4 N 0.29 0.98 0.00 4.33 2.91 -1.86 -2.64 115.95 119.96 1y96 h TRP 4 Ca 0.30 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 1y96 h TRP 4 Cb 0.41 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1y96 h TRP 4 CO -0.22 0.73 -0.11 0.52 -1.03 0.00 0.00 178.44 178.34 1y96 h MET 5 N 0.94 0.00 0.00 2.65 2.86 -1.74 -2.94 114.93 116.69 1y96 h MET 5 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1y96 h MET 5 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1y96 h MET 5 CO -0.03 0.11 -0.13 1.63 1.06 0.00 0.00 176.91 179.55 1y96 n LYS 6 N -3.28 0.13 -1.80 1.72 5.02 -1.00 -4.94 118.16 114.01 1y96 n LYS 6 Ca -0.00 0.09 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1y96 n LYS 6 Cb 0.34 -1.63 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1y96 n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1y96 s LYS 7 N -3.05 3.47 0.51 1.97 1.02 -1.11 -4.98 119.74 117.56 1y96 s LYS 7 Ca 0.12 2.34 -0.21 0.00 0.02 0.00 0.00 55.97 58.23 1y96 s LYS 7 Cb 0.16 -2.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.91 1y96 s LYS 7 CO 0.59 -0.96 1.16 0.20 -0.92 0.00 0.00 175.35 175.42 1y96 s GLY 8 N -0.69 2.72 0.38 -3.33 0.00 -1.26 -4.87 107.32 100.27 1y96 s GLY 8 Ca 0.65 0.91 0.15 0.00 0.00 0.00 0.00 44.72 46.43 1y96 s GLY 8 CO 0.53 1.33 1.80 -2.55 0.00 0.00 0.00 173.10 174.20 1y96 h PRO 9 N 1.60 0.49 -0.20 2.90 0.11 -1.99 -0.43 132.00 134.47 1y96 h PRO 9 Ca -0.50 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1y96 h PRO 9 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1y96 h PRO 9 CO 0.58 0.32 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.47 1y96 h LEU 10 N 0.50 0.32 -0.12 2.35 3.38 -1.99 -1.10 115.31 118.64 1y96 h LEU 10 Ca 0.55 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 1y96 h LEU 10 Cb 1.22 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1y96 h LEU 10 CO -0.28 0.51 -0.14 -0.33 0.09 0.00 0.00 178.44 178.29 1y96 h GLU 11 N 0.31 0.32 -0.94 1.13 5.08 -1.48 -3.12 114.58 115.88 1y96 h GLU 11 Ca 0.06 -0.17 0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1y96 h GLU 11 Cb 0.47 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 1y96 h GLU 11 CO 0.03 0.73 0.57 -1.49 -1.00 0.00 0.00 179.01 177.85 1y96 h TRP 12 N -0.08 1.03 -0.60 4.33 6.55 -1.03 -2.45 115.95 123.70 1y96 h TRP 12 Ca 0.02 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.90 1y96 h TRP 12 Cb 0.68 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.62 1y96 h TRP 12 CO 0.09 0.41 0.40 0.37 -1.05 0.00 0.00 178.44 178.66 1y96 h GLN 13 N 0.91 0.79 0.00 0.49 4.15 -1.22 -2.39 115.11 117.84 1y96 h GLN 13 Ca 0.46 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.84 1y96 h GLN 13 Cb 0.46 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1y96 h GLN 13 CO -0.27 0.52 0.00 -0.44 -1.93 0.00 0.00 178.83 176.72 1y96 h ASP 14 N 0.81 0.00 1.45 -0.69 3.45 -1.37 -2.62 116.42 117.46 1y96 h ASP 14 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1y96 h ASP 14 Cb -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1y96 h ASP 14 CO -0.05 0.00 0.00 1.88 -1.57 0.00 0.00 179.24 179.50 1y96 h TYR 15 N 0.00 0.00 -2.70 4.55 -1.99 -1.48 -3.46 116.97 111.89 1y96 h TYR 15 Ca 0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.21 1y96 h TYR 15 Cb 0.45 0.00 0.05 0.00 2.00 0.00 0.00 36.73 39.23 1y96 h TYR 15 CO 0.00 0.00 0.98 0.42 -0.00 0.00 0.00 178.16 179.56 1y96 s ILE 16 N -3.27 2.25 -0.05 -2.88 1.01 -0.99 -1.47 121.20 115.80 1y96 s ILE 16 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1y96 s ILE 16 Cb 0.09 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1y96 s ILE 16 CO 0.58 0.01 0.00 -1.22 0.00 0.00 0.00 174.94 174.31 1y96 n TYR 17 N 4.13 0.00 -3.89 3.97 0.53 0.75 -4.97 117.16 117.67 1y96 n TYR 17 Ca 0.15 0.00 -0.31 0.00 -1.02 0.00 0.00 57.90 56.72 1y96 n TYR 17 Cb 0.36 -0.59 -0.04 0.00 -1.03 0.00 0.00 39.34 38.05 1y96 n TYR 17 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 1y96 s LYS 18 N -0.70 3.46 -0.01 -0.72 1.02 -0.54 -4.54 119.74 117.71 1y96 s LYS 18 Ca 0.00 -0.40 -0.20 0.00 0.02 0.00 0.00 55.97 55.38 1y96 s LYS 18 Cb 0.00 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1y96 s LYS 18 CO 0.00 0.60 0.59 -2.00 -0.92 0.00 0.00 175.35 173.61 1y96 s GLU 19 N -2.52 4.30 0.03 1.68 2.12 -0.33 -1.18 118.70 122.81 1y96 s GLU 19 Ca 0.35 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.40 1y96 s GLU 19 Cb -0.13 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1y96 s GLU 19 CO 0.28 0.38 -0.04 0.54 -0.54 0.00 0.00 175.26 175.88 1y96 s VAL 20 N -0.22 0.21 -0.16 3.70 0.11 -0.14 -0.32 120.40 123.58 1y96 s VAL 20 Ca 0.31 -1.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1y96 s VAL 20 Cb -0.18 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1y96 s VAL 20 CO 0.17 -0.58 -0.11 -0.60 -3.33 0.00 0.00 175.10 170.65 1y96 s ARG 21 N -1.97 3.37 -0.13 1.54 3.52 0.32 -1.68 118.95 123.93 1y96 s ARG 21 Ca -0.10 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1y96 s ARG 21 Cb -0.06 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1y96 s ARG 21 CO -0.02 0.09 -0.18 0.08 -0.81 0.00 0.00 175.30 174.45 1y96 s VAL 22 N 0.69 2.51 -0.13 7.11 1.01 -0.07 -1.15 120.40 130.37 1y96 s VAL 22 Ca -0.05 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1y96 s VAL 22 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1y96 s VAL 22 CO 0.02 0.54 0.09 -0.89 0.00 0.00 0.00 175.10 174.86 1y96 s THR 23 N 0.50 5.08 0.24 3.92 2.01 -0.44 -1.30 115.64 125.66 1y96 s THR 23 Ca -0.12 0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1y96 s THR 23 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1y96 s THR 23 CO 0.05 0.57 0.14 0.00 -0.69 0.00 0.00 174.62 174.68 1y96 s ALA 24 N -0.56 1.49 0.39 7.40 0.00 -0.31 -0.87 121.76 129.30 1y96 s ALA 24 Ca 0.11 -1.78 -0.23 0.00 0.00 0.00 0.00 51.96 50.06 1y96 s ALA 24 Cb -0.12 1.28 -0.14 0.00 0.00 0.00 0.00 23.12 24.14 1y96 s ALA 24 CO 0.02 -0.55 0.39 0.43 0.00 0.00 0.00 175.76 176.05 1y96 n SER 25 N -0.54 -1.56 -3.58 0.00 7.64 -0.30 -2.96 113.62 112.31 1y96 n SER 25 Ca 0.02 0.91 -0.25 0.00 1.01 0.00 0.00 58.87 60.56 1y96 n SER 25 Cb 0.66 -1.02 0.07 0.00 -1.01 0.00 0.00 64.21 62.90 1y96 n SER 25 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1y96 n GLU 26 N 0.90 -7.28 -1.44 1.43 1.02 -1.26 -2.85 120.64 111.16 1y96 n GLU 26 Ca 0.12 0.80 -0.15 0.00 -0.02 0.00 0.00 57.16 57.91 1y96 n GLU 26 Cb 0.38 -5.81 -0.06 0.00 -0.02 0.00 0.00 31.44 25.92 1y96 n GLU 26 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1y96 n LYS 27 N -4.86 -1.25 -2.56 3.49 5.02 -1.18 -4.97 118.16 111.86 1y96 n LYS 27 Ca 0.00 1.02 -0.41 0.00 -2.02 0.00 0.00 58.31 56.89 1y96 n LYS 27 Cb 0.56 -5.24 -0.04 0.00 -0.02 0.00 0.00 35.03 30.29 1y96 n LYS 27 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1y96 s ASN 28 N -2.72 7.27 0.03 4.39 0.01 -1.13 -4.93 114.94 117.87 1y96 s ASN 28 Ca 0.00 1.94 0.06 0.00 -0.71 0.00 0.00 52.86 54.15 1y96 s ASN 28 Cb 0.00 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1y96 s ASN 28 CO 0.00 -0.27 -0.19 -0.70 -1.51 0.00 0.00 177.10 174.43 1y96 s GLU 29 N 0.35 1.29 0.03 -0.60 2.12 -1.26 -1.16 118.70 119.47 1y96 s GLU 29 Ca 0.52 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 55.00 1y96 s GLU 29 Cb -0.27 -1.36 -0.03 0.00 0.26 0.00 0.00 34.13 32.74 1y96 s GLU 29 CO 0.31 0.35 -0.03 0.71 -0.54 0.00 0.00 175.26 176.06 1y96 s TYR 30 N -0.75 0.38 -0.02 5.30 1.51 -0.42 -5.00 117.35 118.36 1y96 s TYR 30 Ca 0.06 -0.70 -0.00 0.00 -1.01 0.00 0.00 57.07 55.42 1y96 s TYR 30 Cb -0.08 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.52 1y96 s TYR 30 CO 0.01 -0.24 0.03 0.21 -1.11 0.00 0.00 175.55 174.46 1y96 s LYS 31 N -2.26 -0.01 0.00 -0.62 2.20 -1.26 -0.90 119.74 116.89 1y96 s LYS 31 Ca -0.08 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1y96 s LYS 31 Cb -0.04 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1y96 s LYS 31 CO -0.04 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1y96 n GLY 32 N 3.86 -1.15 3.72 5.54 0.00 -0.67 -4.89 105.19 111.60 1y96 n GLY 32 Ca -0.23 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 1y96 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1y96 s TRP 33 N -2.37 3.47 -0.21 1.61 0.52 -0.18 -0.97 118.94 120.80 1y96 s TRP 33 Ca 0.00 0.67 -0.29 0.00 0.02 0.00 0.00 56.10 56.50 1y96 s TRP 33 Cb 0.00 -2.41 0.00 0.00 -1.15 0.00 0.00 33.47 29.91 1y96 s TRP 33 CO 0.00 0.20 1.15 0.08 0.02 0.00 0.00 176.95 178.40 1y96 s VAL 34 N 0.58 4.48 -0.11 4.03 1.01 -0.32 -0.32 120.40 129.75 1y96 s VAL 34 Ca 0.19 1.78 -0.19 0.00 0.00 0.00 0.00 61.98 63.76 1y96 s VAL 34 Cb -0.14 -4.18 -0.27 0.00 0.00 0.00 0.00 36.38 31.79 1y96 s VAL 34 CO 0.06 -0.20 0.61 0.25 0.00 0.00 0.00 175.10 175.82 1y96 h LEU 35 N 9.67 0.30 -7.84 3.92 5.85 -1.44 0.21 115.31 125.99 1y96 h LEU 35 Ca -0.22 -0.85 0.17 0.00 0.84 0.00 0.00 57.88 57.82 1y96 h LEU 35 Cb 1.08 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1y96 h LEU 35 CO 0.98 1.48 0.56 0.28 -0.34 0.00 0.00 178.44 181.41 1y96 s THR 36 N -2.42 0.00 -0.05 1.05 -1.32 -1.23 -4.81 115.64 106.85 1y96 s THR 36 Ca -0.20 -0.60 0.02 0.00 -1.21 0.00 0.00 61.69 59.70 1y96 s THR 36 Cb 0.03 -2.60 0.01 0.00 -1.51 0.00 0.00 72.50 68.43 1y96 s THR 36 CO 0.75 0.00 -0.10 -0.89 -2.21 0.00 0.00 174.62 172.17 1y96 s THR 37 N -2.50 0.94 -0.14 5.08 2.01 -1.26 -1.25 115.64 118.53 1y96 s THR 37 Ca 0.19 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1y96 s THR 37 Cb -0.02 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1y96 s THR 37 CO 0.04 0.31 1.47 -0.62 -0.69 0.00 0.00 174.62 175.13 1y96 s ASP 38 N 0.65 6.73 0.08 3.53 3.68 0.38 -4.91 116.67 126.81 1y96 s ASP 38 Ca -0.12 1.86 0.18 0.00 2.13 0.00 0.00 52.55 56.60 1y96 s ASP 38 Cb -0.15 -2.54 0.76 0.00 -1.45 0.00 0.00 42.92 39.55 1y96 s ASP 38 CO 0.02 -0.92 1.57 -0.81 0.13 0.00 0.00 175.17 175.16 1y96 n PRO 39 N 7.02 0.06 -0.08 4.34 -0.04 -1.26 0.19 135.00 145.24 1y96 n PRO 39 Ca 0.16 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1y96 n PRO 39 Cb 0.44 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.19 1y96 n PRO 39 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1y96 h VAL 40 N 0.00 1.09 0.00 0.52 2.07 -1.98 -3.40 116.25 114.55 1y96 h VAL 40 Ca 0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1y96 h VAL 40 Cb 0.31 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1y96 h VAL 40 CO 0.00 0.37 -1.29 -1.54 0.02 0.00 0.00 177.57 175.13 1y96 n SER 41 N -4.59 0.71 -1.24 0.57 3.41 -1.21 -4.97 113.62 106.30 1y96 n SER 41 Ca -0.14 -0.64 -0.16 0.00 -0.26 0.00 0.00 58.87 57.67 1y96 n SER 41 Cb 0.44 1.33 -0.07 0.00 -0.26 0.00 0.00 64.21 65.65 1y96 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y96 n ALA 42 N -1.73 -0.25 -1.74 7.33 0.00 0.13 -3.60 120.51 120.65 1y96 n ALA 42 Ca 0.01 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1y96 n ALA 42 Cb 0.39 -1.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 1y96 n ALA 42 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1y96 s ASN 43 N -2.70 6.37 -0.15 0.00 0.01 -1.25 -3.56 114.94 113.67 1y96 s ASN 43 Ca 0.00 2.90 -0.08 0.00 -0.71 0.00 0.00 52.86 54.98 1y96 s ASN 43 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1y96 s ASN 43 CO 0.00 -0.96 0.11 -0.63 -1.51 0.00 0.00 177.10 174.12 1y96 s ILE 44 N 0.78 5.27 -0.22 0.60 1.01 -0.29 -0.47 121.20 127.88 1y96 s ILE 44 Ca 0.71 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 1y96 s ILE 44 Cb -0.49 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1y96 s ILE 44 CO 0.37 0.54 -0.02 -0.69 0.00 0.00 0.00 174.94 175.15 1y96 s VAL 45 N -0.39 3.64 -0.03 2.92 1.01 -0.38 -0.73 120.40 126.43 1y96 s VAL 45 Ca 0.11 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1y96 s VAL 45 Cb -0.12 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1y96 s VAL 45 CO 0.01 0.41 -0.11 -0.76 0.00 0.00 0.00 175.10 174.66 1y96 s LEU 46 N 1.36 2.96 -0.13 3.92 1.43 0.14 -1.06 118.68 127.30 1y96 s LEU 46 Ca 0.04 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1y96 s LEU 46 Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1y96 s LEU 46 CO -0.01 0.32 0.01 -0.69 0.23 0.00 0.00 176.35 176.22 1y96 s VAL 47 N -0.86 4.39 -0.11 -1.59 1.01 0.57 -0.36 120.40 123.45 1y96 s VAL 47 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1y96 s VAL 47 Cb -0.11 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1y96 s VAL 47 CO 0.04 0.54 -0.21 0.20 0.00 0.00 0.00 175.10 175.66 1y96 s ASN 48 N -0.22 2.87 -0.48 3.32 -0.87 -0.18 -1.01 114.94 118.37 1y96 s ASN 48 Ca 0.06 -0.53 -0.19 0.00 -1.57 0.00 0.00 52.86 50.63 1y96 s ASN 48 Cb -0.12 -1.32 0.05 0.00 -0.02 0.00 0.00 41.25 39.84 1y96 s ASN 48 CO 0.02 0.10 0.60 -0.36 -2.57 0.00 0.00 177.10 174.89 1y96 s PHE 49 N 0.61 3.07 0.53 2.20 0.40 -1.26 -1.37 117.98 122.17 1y96 s PHE 49 Ca -0.13 -0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 1y96 s PHE 49 Cb -0.17 -3.42 0.01 0.00 0.51 0.00 0.00 43.02 39.96 1y96 s PHE 49 CO 0.04 -0.96 0.80 -0.51 0.70 0.00 0.00 175.22 175.28 1y96 s LEU 50 N 2.56 3.39 0.59 -0.37 1.43 -0.69 -4.97 118.68 120.62 1y96 s LEU 50 Ca 0.15 0.44 0.29 0.00 -1.03 0.00 0.00 54.13 53.99 1y96 s LEU 50 Cb -0.18 -3.28 1.75 0.00 0.03 0.00 0.00 46.19 44.50 1y96 s LEU 50 CO 0.13 -0.95 2.18 -0.33 0.23 0.00 0.00 176.35 177.61 1y96 h GLU 51 N 0.07 0.00 -0.43 1.70 5.08 -1.97 -1.52 114.58 117.51 1y96 h GLU 51 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1y96 h GLU 51 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1y96 h GLU 51 CO 0.58 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 1y96 n ASP 52 N -3.81 2.55 0.00 1.42 5.75 -1.26 -4.93 116.55 116.27 1y96 n ASP 52 Ca -0.01 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1y96 n ASP 52 Cb 0.20 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1y96 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y96 n GLY 53 N 1.28 0.88 3.98 6.12 0.00 -0.57 -5.05 105.19 111.83 1y96 n GLY 53 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1y96 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y96 s SER 54 N -2.92 4.94 -0.06 1.61 1.04 -1.26 -4.87 113.70 112.18 1y96 s SER 54 Ca 0.00 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1y96 s SER 54 Cb 0.00 -0.59 0.01 0.00 0.10 0.00 0.00 66.02 65.54 1y96 s SER 54 CO 0.00 -1.41 -0.13 -0.32 0.98 0.00 0.00 173.24 172.36 1y96 s MET 55 N -4.92 1.74 0.25 4.02 1.75 -1.26 -1.70 119.30 119.19 1y96 s MET 55 Ca 0.60 -0.46 0.09 0.00 -1.25 0.00 0.00 55.69 54.68 1y96 s MET 55 Cb -0.09 -1.44 -0.04 0.00 2.84 0.00 0.00 34.83 36.10 1y96 s MET 55 CO 0.41 0.07 0.00 -1.54 -0.65 0.00 0.00 175.02 173.31 1y96 s SER 56 N 0.53 4.61 -0.07 1.11 1.04 -0.47 -4.99 113.70 115.47 1y96 s SER 56 Ca -0.13 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1y96 s SER 56 Cb -0.15 -0.89 0.01 0.00 0.10 0.00 0.00 66.02 65.09 1y96 s SER 56 CO 0.04 0.01 -0.15 -0.69 0.98 0.00 0.00 173.24 173.43 1y96 s VAL 57 N -2.23 1.33 -0.06 5.02 1.01 -1.26 -1.01 120.40 123.20 1y96 s VAL 57 Ca 0.31 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1y96 s VAL 57 Cb -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1y96 s VAL 57 CO 0.20 0.40 -0.11 -0.89 0.00 0.00 0.00 175.10 174.70 1y96 s THR 58 N 0.52 1.04 -0.15 3.92 2.01 0.52 -4.98 115.64 118.51 1y96 s THR 58 Ca -0.14 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 1y96 s THR 58 Cb -0.16 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1y96 s THR 58 CO 0.04 0.33 0.04 -0.83 -0.69 0.00 0.00 174.62 173.51 1y96 s GLY 59 N 0.70 1.88 -0.16 4.40 0.00 -1.26 0.28 107.32 113.16 1y96 s GLY 59 Ca -0.14 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.80 1y96 s GLY 59 CO 0.03 -0.14 -0.08 -0.42 0.00 0.00 0.00 173.10 172.48 1y96 s ILE 60 N -0.03 3.34 0.19 0.90 1.01 0.09 -4.94 121.20 121.75 1y96 s ILE 60 Ca 0.05 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 1y96 s ILE 60 Cb -0.12 -2.45 -0.10 0.00 0.01 0.00 0.00 42.46 39.80 1y96 s ILE 60 CO 0.01 0.49 1.47 -0.04 0.00 0.00 0.00 174.94 176.87 1y96 s MET 61 N 0.69 4.27 0.27 2.79 -1.94 -1.26 -1.14 119.30 122.98 1y96 s MET 61 Ca -0.04 2.27 0.00 0.00 -1.71 0.00 0.00 55.69 56.21 1y96 s MET 61 Cb -0.15 -3.15 0.56 0.00 2.01 0.00 0.00 34.83 34.10 1y96 s MET 61 CO 0.02 -0.48 1.78 0.78 -0.01 0.00 0.00 175.02 177.12 1y96 h GLY 62 N 5.97 1.49 2.00 -0.03 0.00 -1.62 0.45 103.07 111.33 1y96 h GLY 62 Ca -0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 1y96 h GLY 62 CO 0.84 0.01 -0.03 1.12 0.00 0.00 0.00 176.54 178.48 1y96 h HIS 63 N 0.73 0.00 -0.00 5.60 2.07 -1.88 -2.69 115.15 118.98 1y96 h HIS 63 Ca 0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.00 1y96 h HIS 63 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 1y96 h HIS 63 CO -0.06 0.03 -0.67 0.00 -3.07 0.00 0.00 177.93 174.17 1y96 n ALA 64 N -2.18 3.96 -2.35 6.11 0.00 0.12 -4.94 120.51 121.22 1y96 n ALA 64 Ca -0.02 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1y96 n ALA 64 Cb 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1y96 n ALA 64 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1y96 s VAL 65 N -2.99 3.85 -0.11 0.00 1.01 -1.02 -1.16 120.40 119.99 1y96 s VAL 65 Ca 0.10 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.30 1y96 s VAL 65 Cb 0.17 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1y96 s VAL 65 CO 0.75 0.10 -0.23 0.00 0.00 0.00 0.00 175.10 175.72 1y96 n GLN 66 N 4.03 0.36 -4.09 2.72 6.02 -0.05 -4.75 117.38 121.61 1y96 n GLN 66 Ca 0.10 0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 57.12 1y96 n GLN 66 Cb 0.45 -1.12 -0.11 0.00 1.02 0.00 0.00 30.24 30.48 1y96 n GLN 66 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y96 s THR 67 N -2.52 0.56 -0.05 5.09 -4.23 -1.07 -4.77 115.64 108.65 1y96 s THR 67 Ca -0.21 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1y96 s THR 67 Cb 0.05 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.94 1y96 s THR 67 CO 0.29 -0.57 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.08 1y96 s VAL 68 N -2.20 0.53 -0.07 2.29 1.01 -1.26 -1.32 120.40 119.38 1y96 s VAL 68 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1y96 s VAL 68 Cb -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1y96 s VAL 68 CO -0.02 0.24 -0.06 -0.70 0.00 0.00 0.00 175.10 174.56 1y96 s GLU 69 N 1.16 1.09 0.14 2.72 2.12 -0.30 -4.97 118.70 120.65 1y96 s GLU 69 Ca -0.07 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.80 1y96 s GLU 69 Cb -0.14 -1.11 -0.07 0.00 0.26 0.00 0.00 34.13 33.07 1y96 s GLU 69 CO -0.01 -0.14 1.06 0.99 -0.54 0.00 0.00 175.26 176.62 1y96 s THR 70 N 1.21 4.13 -0.07 -1.70 2.01 -1.26 -0.52 115.64 119.44 1y96 s THR 70 Ca -0.06 1.77 0.05 0.00 0.31 0.00 0.00 61.69 63.77 1y96 s THR 70 Cb -0.14 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 1y96 s THR 70 CO -0.02 0.28 0.01 0.23 -0.69 0.00 0.00 174.62 174.43 1y96 n MET 71 N 2.68 2.63 -3.70 4.92 0.00 0.56 -4.92 117.12 119.30 1y96 n MET 71 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.62 1y96 n MET 71 Cb 0.47 -1.17 -0.10 0.00 0.00 0.00 0.00 33.22 32.42 1y96 n MET 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1y96 s ASN 72 N -3.92 -0.54 0.39 7.83 3.84 -1.05 -5.01 114.94 116.49 1y96 s ASN 72 Ca -0.04 0.96 0.26 0.00 0.21 0.00 0.00 52.86 54.24 1y96 s ASN 72 Cb 0.02 0.88 0.67 0.00 -0.55 0.00 0.00 41.25 42.28 1y96 s ASN 72 CO 0.26 -0.18 1.72 -0.33 -2.79 0.00 0.00 177.10 175.78 1y96 h GLU 73 N 6.49 0.00 0.00 0.43 4.39 -1.92 -0.86 114.58 123.11 1y96 h GLU 73 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1y96 h GLU 73 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1y96 h GLU 73 CO 0.26 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.52 1y96 n GLY 74 N 0.88 -3.02 3.45 -3.84 0.00 -1.26 -4.63 105.19 96.78 1y96 n GLY 74 Ca 0.04 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 1y96 n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y96 n ASP 75 N -0.32 -1.45 -0.13 1.61 3.85 -1.26 -5.05 116.55 113.79 1y96 n ASP 75 Ca 0.00 -2.90 0.04 0.00 -0.71 0.00 0.00 54.79 51.21 1y96 n ASP 75 Cb 0.00 2.68 0.35 0.00 -1.35 0.00 0.00 41.12 42.80 1y96 n ASP 75 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 1y96 h HIS 76 N 2.03 0.73 0.17 2.11 -0.00 -1.99 -2.51 115.15 115.69 1y96 h HIS 76 Ca -0.28 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.10 1y96 h HIS 76 Cb 1.21 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.38 1y96 h HIS 76 CO 0.00 0.43 -0.08 0.00 -0.00 0.00 0.00 177.93 178.28 1y96 h ARG 77 N 0.76 -0.22 -0.72 5.26 3.08 -2.00 -2.34 114.38 118.19 1y96 h ARG 77 Ca 0.24 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1y96 h ARG 77 Cb 0.04 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1y96 h ARG 77 CO -0.06 0.12 0.24 0.28 -1.07 0.00 0.00 179.97 179.47 1y96 h VAL 78 N -0.60 1.26 -0.81 2.04 2.07 -1.97 -2.75 116.25 115.48 1y96 h VAL 78 Ca -0.02 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.70 1y96 h VAL 78 Cb 0.45 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1y96 h VAL 78 CO 0.04 0.34 0.48 -0.09 0.02 0.00 0.00 177.57 178.36 1y96 h ARG 79 N 1.07 0.81 -0.39 1.57 2.43 -1.41 -1.26 114.38 117.19 1y96 h ARG 79 Ca 0.24 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 1y96 h ARG 79 Cb 0.28 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1y96 h ARG 79 CO -0.01 0.54 -0.30 0.93 -1.51 0.00 0.00 179.97 179.62 1y96 h GLU 80 N 0.83 0.89 -0.45 0.20 4.39 -1.16 -0.54 114.58 118.74 1y96 h GLU 80 Ca 0.38 -0.43 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1y96 h GLU 80 Cb 0.28 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1y96 h GLU 80 CO -0.21 1.08 0.20 0.87 -1.16 0.00 0.00 179.01 179.79 1y96 h LYS 81 N 0.70 0.39 -0.13 2.33 1.57 -1.19 -2.02 116.57 118.23 1y96 h LYS 81 Ca 0.07 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1y96 h LYS 81 Cb 0.88 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1y96 h LYS 81 CO 0.08 0.26 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.70 1y96 h LEU 82 N 0.41 0.33 -0.54 2.94 3.38 -1.04 -3.09 115.31 117.69 1y96 h LEU 82 Ca 0.20 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1y96 h LEU 82 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y96 h LEU 82 CO -0.17 0.73 -0.43 0.24 0.09 0.00 0.00 178.44 178.90 1y96 h MET 83 N 0.25 0.69 0.00 1.13 2.86 -0.87 -2.89 114.93 116.10 1y96 h MET 83 Ca 0.02 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1y96 h MET 83 Cb 0.89 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1y96 h MET 83 CO 0.07 0.99 0.00 1.58 1.06 0.00 0.00 176.91 180.61 1y96 n HIS 84 N -4.02 0.00 -2.67 -0.22 -0.00 -0.78 -4.81 115.22 102.73 1y96 n HIS 84 Ca -0.02 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.74 1y96 n HIS 84 Cb 0.55 -0.37 -0.03 0.00 -0.12 0.00 0.00 29.99 30.02 1y96 n HIS 84 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1y96 s LEU 85 N -2.74 4.34 0.00 0.27 2.96 -1.09 -5.11 118.68 117.32 1y96 s LEU 85 Ca 0.12 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1y96 s LEU 85 Cb 0.10 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.22 1y96 s LEU 85 CO 0.25 -0.33 0.00 0.49 -1.32 0.00 0.00 176.35 175.44