#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yd1 n LYS 2 N 0.00 2.42 -0.08 2.12 5.02 -1.26 -4.84 118.16 121.53 1yd1 n LYS 2 Ca 0.00 0.85 0.06 0.00 -2.02 0.00 0.00 58.31 57.20 1yd1 n LYS 2 Cb 0.00 -2.54 0.40 0.00 -0.02 0.00 0.00 35.03 32.87 1yd1 n LYS 2 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1yd1 h GLU 3 N 3.48 0.62 0.00 1.97 4.57 -2.00 -0.59 114.58 122.62 1yd1 h GLU 3 Ca -0.47 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 1yd1 h GLU 3 Cb 1.26 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1yd1 h GLU 3 CO 0.69 0.41 -0.26 1.57 -1.18 0.00 0.00 179.01 180.23 1yd1 h LYS 4 N 0.63 0.00 0.05 1.92 2.10 -1.99 -0.31 116.57 118.97 1yd1 h LYS 4 Ca 0.23 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.67 1yd1 h LYS 4 Cb 0.11 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1yd1 h LYS 4 CO -0.06 0.26 -0.84 0.82 -2.00 0.00 0.00 179.45 177.63 1yd1 h ILE 5 N 0.00 1.38 -0.59 0.07 2.04 -1.50 -1.56 117.51 117.36 1yd1 h ILE 5 Ca -0.00 -2.26 0.06 0.00 1.00 0.00 0.00 64.86 63.66 1yd1 h ILE 5 Cb 0.49 2.67 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 1yd1 h ILE 5 CO 0.03 0.67 0.29 -0.09 0.00 0.00 0.00 178.15 179.05 1yd1 h ARG 6 N 0.02 0.53 -0.32 2.37 2.43 -1.00 -0.11 114.38 118.29 1yd1 h ARG 6 Ca -0.12 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1yd1 h ARG 6 Cb 1.56 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.95 1yd1 h ARG 6 CO 0.16 0.35 0.13 -0.22 -1.51 0.00 0.00 179.97 178.89 1yd1 h LYS 7 N 0.54 0.28 -0.84 0.20 3.64 -1.00 -1.16 116.57 118.23 1yd1 h LYS 7 Ca 0.27 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1yd1 h LYS 7 Cb 0.21 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1yd1 h LYS 7 CO -0.20 0.18 0.49 -0.22 -2.27 0.00 0.00 179.45 177.43 1yd1 h LYS 8 N 0.28 1.15 -0.38 1.90 3.64 -0.81 -0.70 116.57 121.66 1yd1 h LYS 8 Ca 0.14 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1yd1 h LYS 8 Cb 0.08 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1yd1 h LYS 8 CO -0.12 0.82 0.22 0.82 -2.27 0.00 0.00 179.45 178.92 1yd1 h ILE 9 N 1.16 1.04 0.00 2.00 2.04 -0.68 -1.94 117.51 121.13 1yd1 h ILE 9 Ca 0.30 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 1yd1 h ILE 9 Cb -0.01 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1yd1 h ILE 9 CO -0.05 0.08 -0.26 -0.07 0.00 0.00 0.00 178.15 177.85 1yd1 h LEU 10 N 0.45 0.00 -0.11 1.44 3.38 -0.60 -2.54 115.31 117.34 1yd1 h LEU 10 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1yd1 h LEU 10 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1yd1 h LEU 10 CO -0.07 0.26 -0.31 0.18 0.09 0.00 0.00 178.44 178.60 1yd1 n LEU 11 N -3.57 0.48 -4.77 1.67 4.77 -0.33 -4.97 117.00 110.29 1yd1 n LEU 11 Ca -0.01 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 1yd1 n LEU 11 Cb 0.40 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1yd1 n LEU 11 CO 0.34 0.11 1.00 0.00 -1.33 0.00 0.00 177.39 177.50 1yd1 s ALA 12 N -2.84 3.27 0.68 -1.18 0.00 -0.75 -4.95 121.76 115.98 1yd1 s ALA 12 Ca 0.16 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 1yd1 s ALA 12 Cb 0.18 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1yd1 s ALA 12 CO 0.60 -0.93 1.06 -1.25 0.00 0.00 0.00 175.76 175.24 1yd1 s PRO 13 N -2.28 3.02 -1.48 0.00 0.04 -1.26 -4.09 135.00 128.94 1yd1 s PRO 13 Ca 0.58 0.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 1yd1 s PRO 13 Cb -0.40 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.16 1yd1 s PRO 13 CO 0.51 -1.03 2.51 0.39 0.04 0.00 0.00 177.00 179.42 1yd1 n GLU 14 N -3.01 3.59 -3.98 4.56 1.02 -1.26 -1.24 120.64 120.31 1yd1 n GLU 14 Ca 0.07 -2.70 -0.09 0.00 -0.02 0.00 0.00 57.16 54.43 1yd1 n GLU 14 Cb 0.53 -2.93 -0.10 0.00 -0.02 0.00 0.00 31.44 28.92 1yd1 n GLU 14 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1yd1 s GLU 15 N 1.70 0.49 0.55 3.49 0.41 -1.26 -4.87 118.70 119.22 1yd1 s GLU 15 Ca 0.57 -0.81 -0.20 0.00 -0.41 0.00 0.00 54.97 54.12 1yd1 s GLU 15 Cb 0.16 0.18 -0.05 0.00 -1.78 0.00 0.00 34.13 32.64 1yd1 s GLU 15 CO -0.07 -0.10 1.24 -1.25 -0.49 0.00 0.00 175.26 174.59 1yd1 s PRO 16 N -2.49 3.17 -0.00 0.39 0.04 -0.96 -0.72 135.00 134.43 1yd1 s PRO 16 Ca -0.06 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 1yd1 s PRO 16 Cb -0.02 -2.11 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1yd1 s PRO 16 CO -0.04 -1.08 1.27 0.20 0.04 0.00 0.00 177.00 177.39 1yd1 s GLY 17 N -1.37 -0.10 -0.00 0.56 0.00 -0.60 -1.88 107.32 103.93 1yd1 s GLY 17 Ca 0.73 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 45.51 1yd1 s GLY 17 CO 0.37 5.59 -0.24 0.14 0.00 0.00 0.00 173.10 178.96 1yd1 s VAL 18 N -2.02 1.94 0.09 1.40 1.01 -0.20 -0.89 120.40 121.73 1yd1 s VAL 18 Ca 0.29 -1.12 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1yd1 s VAL 18 Cb -0.01 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1yd1 s VAL 18 CO -0.00 0.48 -0.20 -0.72 0.00 0.00 0.00 175.10 174.66 1yd1 s TYR 19 N -0.63 1.73 -0.19 5.22 -0.85 0.49 -0.38 117.35 122.73 1yd1 s TYR 19 Ca 0.10 -0.42 -0.04 0.00 -0.52 0.00 0.00 57.07 56.20 1yd1 s TYR 19 Cb -0.09 -0.96 0.06 0.00 0.38 0.00 0.00 41.96 41.35 1yd1 s TYR 19 CO -0.00 0.18 0.05 0.42 -1.52 0.00 0.00 175.55 174.68 1yd1 s ILE 20 N -1.12 0.33 0.14 -3.49 1.01 0.22 -1.22 121.20 117.07 1yd1 s ILE 20 Ca 0.06 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 1yd1 s ILE 20 Cb -0.10 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.41 1yd1 s ILE 20 CO 0.04 -0.24 0.87 -0.36 0.00 0.00 0.00 174.94 175.25 1yd1 s PHE 21 N 1.95 3.87 0.13 3.97 0.40 0.24 -0.64 117.98 127.89 1yd1 s PHE 21 Ca -0.00 1.72 0.04 0.00 -0.60 0.00 0.00 56.93 58.10 1yd1 s PHE 21 Cb -0.17 -2.91 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1yd1 s PHE 21 CO -0.08 0.36 -0.11 0.15 0.70 0.00 0.00 175.22 176.24 1yd1 s LYS 22 N -0.59 0.99 -0.04 0.44 1.02 -0.11 -0.19 119.74 121.26 1yd1 s LYS 22 Ca 0.41 -1.34 -0.01 0.00 0.02 0.00 0.00 55.97 55.05 1yd1 s LYS 22 Cb -0.23 -0.64 0.03 0.00 -0.52 0.00 0.00 37.83 36.46 1yd1 s LYS 22 CO 0.28 0.09 0.02 1.21 -0.92 0.00 0.00 175.35 176.03 1yd1 s ASN 23 N -2.86 0.89 -1.48 2.83 3.04 -0.01 -0.58 114.94 116.76 1yd1 s ASN 23 Ca 0.12 -0.01 -0.08 0.00 0.04 0.00 0.00 52.86 52.94 1yd1 s ASN 23 Cb -0.00 -0.24 0.06 0.00 -1.54 0.00 0.00 41.25 39.53 1yd1 s ASN 23 CO 0.01 -0.17 0.71 0.29 -3.04 0.00 0.00 177.10 174.90 1yd1 n LYS 24 N 4.71 -4.21 -0.54 0.43 5.02 -1.26 -1.53 118.16 120.79 1yd1 n LYS 24 Ca -0.15 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1yd1 n LYS 24 Cb 0.50 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 1yd1 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yd1 n GLY 25 N -1.70 1.83 3.49 0.72 0.00 -1.26 -5.02 105.19 103.25 1yd1 n GLY 25 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1yd1 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yd1 s VAL 26 N -3.51 4.26 0.25 1.61 1.01 -0.58 -5.07 120.40 118.36 1yd1 s VAL 26 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 1yd1 s VAL 26 Cb 0.00 -2.94 -0.12 0.00 0.00 0.00 0.00 36.38 33.32 1yd1 s VAL 26 CO 0.00 0.41 1.62 -2.65 0.00 0.00 0.00 175.10 174.49 1yd1 n PRO 27 N 4.24 2.62 -0.00 2.72 -0.02 -1.26 -0.83 135.00 142.47 1yd1 n PRO 27 Ca -0.17 0.94 0.04 0.00 -2.02 0.00 0.00 63.50 62.29 1yd1 n PRO 27 Cb 0.52 -2.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 1yd1 n PRO 27 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1yd1 n ILE 28 N 2.88 0.00 -3.66 4.25 -5.35 0.73 -4.21 119.36 114.01 1yd1 n ILE 28 Ca 0.12 -0.20 -0.10 0.00 -0.27 0.00 0.00 62.75 62.31 1yd1 n ILE 28 Cb 0.35 0.42 -0.08 0.00 -1.74 0.00 0.00 39.64 38.59 1yd1 n ILE 28 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1yd1 s TYR 29 N -2.41 -0.87 -0.07 4.28 5.04 -1.11 -0.67 117.35 121.54 1yd1 s TYR 29 Ca -0.02 1.84 0.05 0.00 -2.44 0.00 0.00 57.07 56.50 1yd1 s TYR 29 Cb 0.05 0.45 -0.00 0.00 0.35 0.00 0.00 41.96 42.81 1yd1 s TYR 29 CO 0.31 -0.44 -0.23 0.42 -1.34 0.00 0.00 175.55 174.28 1yd1 s ILE 30 N 1.23 1.90 0.25 3.14 1.01 -1.26 -0.59 121.20 126.88 1yd1 s ILE 30 Ca -0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1yd1 s ILE 30 Cb -0.06 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1yd1 s ILE 30 CO -0.13 0.53 0.27 -0.83 0.00 0.00 0.00 174.94 174.78 1yd1 s GLY 31 N 0.07 1.42 0.33 6.18 0.00 -0.36 -4.97 107.32 110.00 1yd1 s GLY 31 Ca -0.09 -1.58 0.09 0.00 0.00 0.00 0.00 44.72 43.14 1yd1 s GLY 31 CO 0.05 -1.21 -0.09 -1.59 0.00 0.00 0.00 173.10 170.25 1yd1 s LYS 32 N -3.87 1.76 -0.11 2.90 -2.85 -1.26 -0.38 119.74 115.92 1yd1 s LYS 32 Ca 0.35 -1.90 -0.10 0.00 -1.00 0.00 0.00 55.97 53.32 1yd1 s LYS 32 Cb 0.04 -1.60 0.03 0.00 -2.06 0.00 0.00 37.83 34.24 1yd1 s LYS 32 CO 0.15 0.13 0.29 0.00 0.10 0.00 0.00 175.35 176.02 1yd1 s ALA 33 N -2.68 -0.72 0.17 0.59 0.00 -0.07 -4.94 121.76 114.09 1yd1 s ALA 33 Ca 0.32 0.81 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1yd1 s ALA 33 Cb 0.02 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1yd1 s ALA 33 CO 0.15 -0.14 1.46 0.87 0.00 0.00 0.00 175.76 178.10 1yd1 h LYS 34 N 5.62 0.60 -3.64 0.00 1.57 -1.86 -1.59 116.57 117.27 1yd1 h LYS 34 Ca -0.26 -0.41 -0.52 0.00 -1.87 0.00 0.00 60.65 57.58 1yd1 h LYS 34 Cb 1.19 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.16 1yd1 h LYS 34 CO 0.32 1.03 -0.77 1.03 -0.57 0.00 0.00 179.45 180.50 1yd1 s ARG 35 N -3.92 0.76 0.24 3.15 0.52 -1.26 -2.26 118.95 116.18 1yd1 s ARG 35 Ca -0.08 -0.46 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1yd1 s ARG 35 Cb 0.11 -2.11 0.42 0.00 0.52 0.00 0.00 34.95 33.88 1yd1 s ARG 35 CO 0.86 -0.62 1.75 -0.07 0.02 0.00 0.00 175.30 177.24 1yd1 h LEU 36 N 8.22 0.37 -0.28 2.53 3.38 -0.86 -1.80 115.31 126.87 1yd1 h LEU 36 Ca -0.17 0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1yd1 h LEU 36 Cb 1.12 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 1yd1 h LEU 36 CO 0.34 0.17 -0.25 0.77 0.09 0.00 0.00 178.44 179.56 1yd1 h SER 37 N 0.52 -0.82 -0.22 -0.43 4.64 -1.32 0.95 113.55 116.86 1yd1 h SER 37 Ca 0.39 0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.82 1yd1 h SER 37 Cb 0.53 0.39 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1yd1 h SER 37 CO -0.35 -0.28 -0.02 0.78 -0.87 0.00 0.00 176.83 176.09 1yd1 h ASN 38 N -0.24 0.40 -0.27 4.97 2.35 -1.65 -1.33 115.58 119.81 1yd1 h ASN 38 Ca 0.15 -0.33 -0.07 0.00 -0.55 0.00 0.00 56.30 55.50 1yd1 h ASN 38 Cb 0.47 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1yd1 h ASN 38 CO -0.42 0.64 -0.11 -0.09 -1.65 0.00 0.00 177.43 175.80 1yd1 h ARG 39 N 0.16 0.55 -0.11 0.81 9.65 -1.29 -3.09 114.38 121.07 1yd1 h ARG 39 Ca 0.06 -0.23 -0.09 0.00 -1.10 0.00 0.00 59.98 58.61 1yd1 h ARG 39 Cb 0.44 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1yd1 h ARG 39 CO 0.01 0.79 -0.36 -0.07 2.80 0.00 0.00 179.97 183.14 1yd1 h LEU 40 N 0.30 0.23 -1.78 3.80 3.38 -0.78 -2.56 115.31 117.89 1yd1 h LEU 40 Ca 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1yd1 h LEU 40 Cb 0.61 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1yd1 h LEU 40 CO 0.04 0.57 -0.15 0.03 0.09 0.00 0.00 178.44 179.02 1yd1 h ARG 41 N 0.19 0.00 0.00 1.13 3.08 -1.16 -1.64 114.38 115.97 1yd1 h ARG 41 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1yd1 h ARG 41 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1yd1 h ARG 41 CO 0.06 0.15 -0.00 0.66 -1.07 0.00 0.00 179.97 179.76 1yd1 h SER 42 N 0.00 0.00 0.86 7.04 4.64 -1.40 -0.62 113.55 124.08 1yd1 h SER 42 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yd1 h SER 42 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1yd1 h SER 42 CO 0.02 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.86 1yd1 h TYR 43 N 0.00 0.00 0.00 4.77 -1.99 -1.43 -2.90 116.97 115.42 1yd1 h TYR 43 Ca -0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1yd1 h TYR 43 Cb 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1yd1 h TYR 43 CO 0.00 0.00 -0.49 -0.07 -0.00 0.00 0.00 178.16 177.60 1yd1 h LEU 44 N 0.00 0.00 -7.03 3.88 3.38 -1.25 -3.36 115.31 110.92 1yd1 h LEU 44 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1yd1 h LEU 44 Cb 0.43 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.77 1yd1 h LEU 44 CO 0.00 0.49 -0.67 0.20 0.09 0.00 0.00 178.44 178.55 1yd1 s ASN 45 N -6.54 4.03 -0.01 -0.43 0.01 -1.09 -5.09 114.94 105.82 1yd1 s ASN 45 Ca 0.00 -3.33 -0.30 0.00 -0.71 0.00 0.00 52.86 48.53 1yd1 s ASN 45 Cb 0.11 -1.36 -0.07 0.00 0.41 0.00 0.00 41.25 40.34 1yd1 s ASN 45 CO 0.72 -0.16 1.69 -2.16 -1.51 0.00 0.00 177.10 175.68 1yd1 s PRO 46 N -0.65 4.18 0.18 -0.60 0.04 -1.26 -4.88 135.00 132.02 1yd1 s PRO 46 Ca 0.23 2.28 0.25 0.00 0.04 0.00 0.00 61.00 63.80 1yd1 s PRO 46 Cb -0.12 -3.91 0.59 0.00 0.04 0.00 0.00 34.50 31.10 1yd1 s PRO 46 CO -0.10 -0.83 1.57 1.96 0.04 0.00 0.00 177.00 179.64 1yd1 h GLN 47 N 9.37 0.00 -4.14 4.56 1.08 -1.95 -3.47 115.11 120.56 1yd1 h GLN 47 Ca -0.41 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.67 1yd1 h GLN 47 Cb 1.19 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.47 1yd1 h GLN 47 CO 0.94 0.00 -0.62 0.95 -0.95 0.00 0.00 178.83 179.15 1yd1 s THR 48 N -3.13 0.20 0.33 -0.54 -4.23 -1.26 -5.05 115.64 101.96 1yd1 s THR 48 Ca 0.09 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1yd1 s THR 48 Cb 0.13 -1.43 0.26 0.00 1.34 0.00 0.00 72.50 72.79 1yd1 s THR 48 CO 0.65 -0.91 1.99 -0.33 -0.54 0.00 0.00 174.62 175.48 1yd1 h GLU 49 N 3.14 0.92 -0.50 3.99 4.39 -1.99 -1.61 114.58 122.92 1yd1 h GLU 49 Ca -0.34 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 1yd1 h GLU 49 Cb 1.15 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 1yd1 h GLU 49 CO 0.63 0.62 0.22 -0.22 -1.16 0.00 0.00 179.01 179.10 1yd1 h LYS 50 N 0.95 0.73 -0.58 2.33 3.64 -1.99 0.57 116.57 122.22 1yd1 h LYS 50 Ca 0.25 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1yd1 h LYS 50 Cb -0.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1yd1 h LYS 50 CO -0.05 0.63 0.30 0.28 -2.27 0.00 0.00 179.45 178.34 1yd1 h VAL 51 N 0.66 1.20 -0.16 2.00 2.07 -1.88 -0.40 116.25 119.74 1yd1 h VAL 51 Ca 0.17 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.21 1yd1 h VAL 51 Cb 0.16 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1yd1 h VAL 51 CO -0.02 0.22 -0.18 0.15 0.02 0.00 0.00 177.57 177.76 1yd1 h PHE 52 N 0.79 -0.45 -0.30 1.57 3.57 -0.81 -2.47 116.94 118.84 1yd1 h PHE 52 Ca 0.20 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1yd1 h PHE 52 Cb 0.07 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1yd1 h PHE 52 CO -0.01 -0.25 0.14 0.00 -2.23 0.00 0.00 178.31 175.96 1yd1 h ARG 53 N -0.21 0.29 -0.43 1.11 3.08 -0.43 -1.66 114.38 116.13 1yd1 h ARG 53 Ca 0.11 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1yd1 h ARG 53 Cb 0.37 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1yd1 h ARG 53 CO -0.28 0.19 0.07 0.82 -1.07 0.00 0.00 179.97 179.70 1yd1 h ILE 54 N 0.30 0.76 0.00 2.04 2.04 -0.99 0.67 117.51 122.33 1yd1 h ILE 54 Ca 0.12 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1yd1 h ILE 54 Cb 0.05 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1yd1 h ILE 54 CO -0.09 0.04 -0.19 1.23 0.00 0.00 0.00 178.15 179.13 1yd1 h GLY 55 N 0.20 0.00 0.88 5.37 0.00 -1.10 -2.60 103.07 105.82 1yd1 h GLY 55 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.19 1yd1 h GLY 55 CO -0.28 0.00 -1.79 0.83 0.00 0.00 0.00 176.54 175.29 1yd1 h GLU 56 N 0.00 0.35 -0.01 4.80 4.39 -0.79 -3.38 114.58 119.94 1yd1 h GLU 56 Ca -0.00 -0.60 -0.17 0.00 0.34 0.00 0.00 59.36 58.93 1yd1 h GLU 56 Cb 0.69 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1yd1 h GLU 56 CO 0.03 1.27 -0.77 1.49 -1.16 0.00 0.00 179.01 179.86 1yd1 h GLU 57 N 0.10 0.14 -6.95 2.33 4.81 -0.87 -3.46 114.58 110.69 1yd1 h GLU 57 Ca -0.35 -0.14 -0.54 0.00 -0.13 0.00 0.00 59.36 58.20 1yd1 h GLU 57 Cb 2.08 0.03 0.11 0.00 0.63 0.00 0.00 28.75 31.60 1yd1 h GLU 57 CO 0.16 0.84 0.77 0.00 -0.73 0.00 0.00 179.01 180.05 1yd1 s ALA 58 N -3.37 3.56 -1.17 2.92 0.00 -0.98 -4.75 121.76 117.97 1yd1 s ALA 58 Ca -0.02 1.56 0.10 0.00 0.00 0.00 0.00 51.96 53.60 1yd1 s ALA 58 Cb 0.11 -3.61 0.13 0.00 0.00 0.00 0.00 23.12 19.75 1yd1 s ALA 58 CO 0.81 -1.05 0.92 -0.40 0.00 0.00 0.00 175.76 176.04 1yd1 n ASP 59 N 0.44 2.10 -3.60 0.00 5.68 0.25 -4.67 116.55 116.75 1yd1 n ASP 59 Ca 0.01 -1.57 -0.16 0.00 -0.50 0.00 0.00 54.79 52.57 1yd1 n ASP 59 Cb 0.39 -0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 1yd1 n ASP 59 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1yd1 s GLU 60 N -0.89 0.90 -0.10 0.11 2.12 -1.11 -4.99 118.70 114.74 1yd1 s GLU 60 Ca 0.14 0.38 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 1yd1 s GLU 60 Cb 0.09 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.93 1yd1 s GLU 60 CO 0.13 -0.23 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.37 1yd1 s LEU 61 N -0.75 1.23 -0.11 2.70 2.96 -1.26 -0.93 118.68 122.52 1yd1 s LEU 61 Ca -0.08 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1yd1 s LEU 61 Cb -0.02 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 1yd1 s LEU 61 CO 0.06 -0.10 0.04 -0.70 -1.32 0.00 0.00 176.35 174.34 1yd1 s GLU 62 N 1.54 3.29 0.03 1.98 2.12 0.19 -4.98 118.70 122.87 1yd1 s GLU 62 Ca 0.02 -0.33 0.09 0.00 0.36 0.00 0.00 54.97 55.10 1yd1 s GLU 62 Cb -0.13 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 1yd1 s GLU 62 CO -0.06 0.63 -0.26 0.95 -0.54 0.00 0.00 175.26 175.99 1yd1 s THR 63 N -0.66 2.06 -0.21 -1.70 -4.23 -1.26 -0.61 115.64 109.03 1yd1 s THR 63 Ca 0.11 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1yd1 s THR 63 Cb -0.12 -1.76 0.05 0.00 1.34 0.00 0.00 72.50 72.01 1yd1 s THR 63 CO 0.02 0.38 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.77 1yd1 s ILE 64 N -0.77 1.59 0.12 2.99 1.01 0.49 -5.01 121.20 121.62 1yd1 s ILE 64 Ca 0.11 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 1yd1 s ILE 64 Cb -0.10 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 1yd1 s ILE 64 CO 0.02 0.07 1.01 -0.69 0.00 0.00 0.00 174.94 175.35 1yd1 s VAL 65 N 1.40 4.32 0.42 2.92 1.01 -1.26 -1.03 120.40 128.18 1yd1 s VAL 65 Ca -0.03 1.91 0.06 0.00 0.00 0.00 0.00 61.98 63.92 1yd1 s VAL 65 Cb -0.17 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 1yd1 s VAL 65 CO -0.07 0.28 0.01 0.68 0.00 0.00 0.00 175.10 176.00 1yd1 s VAL 66 N 0.07 1.85 0.21 2.92 -7.23 -0.79 -4.97 120.40 112.46 1yd1 s VAL 66 Ca 0.49 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 1yd1 s VAL 66 Cb -0.25 -2.89 0.03 0.00 0.56 0.00 0.00 36.38 33.83 1yd1 s VAL 66 CO 0.31 0.00 1.62 0.24 -0.31 0.00 0.00 175.10 176.96 1yd1 h MET 67 N 1.75 0.82 -2.42 4.82 2.86 -1.96 -3.42 114.93 117.37 1yd1 h MET 67 Ca -0.44 -0.33 0.19 0.00 -2.06 0.00 0.00 59.70 57.06 1yd1 h MET 67 Cb 1.25 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 1yd1 h MET 67 CO 0.79 0.95 0.61 0.54 1.06 0.00 0.00 176.91 180.87 1yd1 s ASN 68 N -6.74 -0.02 0.39 1.22 2.20 -1.26 -4.97 114.94 105.75 1yd1 s ASN 68 Ca -0.10 -0.58 0.12 0.00 -0.94 0.00 0.00 52.86 51.37 1yd1 s ASN 68 Cb 0.13 0.46 0.80 0.00 -2.00 0.00 0.00 41.25 40.64 1yd1 s ASN 68 CO 0.84 -0.90 1.88 -0.33 -2.94 0.00 0.00 177.10 175.66 1yd1 h GLU 69 N 2.00 0.05 -0.54 3.55 5.08 -1.94 -1.85 114.58 120.93 1yd1 h GLU 69 Ca -0.27 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1yd1 h GLU 69 Cb 1.22 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1yd1 h GLU 69 CO 0.34 0.33 0.23 0.00 -1.00 0.00 0.00 179.01 178.90 1yd1 h ARG 70 N 0.04 0.80 -0.49 2.33 3.08 -2.00 -1.46 114.38 116.68 1yd1 h ARG 70 Ca 0.00 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 1yd1 h ARG 70 Cb 0.52 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1yd1 h ARG 70 CO 0.04 0.69 -0.14 1.49 -1.07 0.00 0.00 179.97 180.97 1yd1 h GLU 71 N 0.74 0.95 -0.72 0.04 4.81 -1.83 -2.69 114.58 115.87 1yd1 h GLU 71 Ca 0.18 -0.36 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1yd1 h GLU 71 Cb 0.18 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1yd1 h GLU 71 CO -0.02 1.02 0.40 0.00 -0.73 0.00 0.00 179.01 179.68 1yd1 h ALA 72 N 0.99 0.99 0.25 2.92 0.00 -1.13 0.22 119.26 123.50 1yd1 h ALA 72 Ca 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yd1 h ALA 72 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1yd1 h ALA 72 CO 0.05 0.05 -0.17 0.35 0.00 0.00 0.00 179.25 179.53 1yd1 h PHE 73 N 0.71 -0.45 -0.00 0.00 3.57 -0.96 -0.70 116.94 119.11 1yd1 h PHE 73 Ca 0.34 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.61 1yd1 h PHE 73 Cb 0.26 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1yd1 h PHE 73 CO -0.08 -0.27 -0.94 0.97 -2.23 0.00 0.00 178.31 175.77 1yd1 h ILE 74 N -0.42 1.40 -0.38 1.41 2.10 -1.35 -2.38 117.51 117.90 1yd1 h ILE 74 Ca -0.02 -2.45 -0.03 0.00 1.08 0.00 0.00 64.86 63.44 1yd1 h ILE 74 Cb 0.36 2.42 -0.02 0.00 -1.09 0.00 0.00 36.82 38.49 1yd1 h ILE 74 CO 0.01 0.73 0.10 0.25 -1.08 0.00 0.00 178.15 178.16 1yd1 h LEU 75 N 0.23 0.56 -0.12 2.19 5.85 -0.92 -0.48 115.31 122.62 1yd1 h LEU 75 Ca -0.08 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1yd1 h LEU 75 Cb 1.57 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1yd1 h LEU 75 CO 0.16 0.63 0.07 -0.08 -0.34 0.00 0.00 178.44 178.88 1yd1 h GLU 76 N 0.46 0.14 -0.54 1.25 4.81 -1.12 -0.64 114.58 118.94 1yd1 h GLU 76 Ca 0.12 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1yd1 h GLU 76 Cb 0.28 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1yd1 h GLU 76 CO -0.00 0.09 0.27 0.00 -0.73 0.00 0.00 179.01 178.65 1yd1 h ALA 77 N 1.05 0.70 -0.60 2.92 0.00 -1.23 -0.91 119.26 121.20 1yd1 h ALA 77 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1yd1 h ALA 77 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1yd1 h ALA 77 CO -0.02 -0.07 0.18 -0.91 0.00 0.00 0.00 179.25 178.43 1yd1 h ASN 78 N 0.53 0.87 0.18 0.00 2.35 -0.79 -1.47 115.58 117.25 1yd1 h ASN 78 Ca 0.24 -0.21 -0.16 0.00 -0.55 0.00 0.00 56.30 55.62 1yd1 h ASN 78 Cb 0.16 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1yd1 h ASN 78 CO -0.17 0.85 -0.61 -0.07 -1.65 0.00 0.00 177.43 175.78 1yd1 h LEU 79 N 0.85 0.48 -0.38 1.61 3.38 -0.74 -0.72 115.31 119.78 1yd1 h LEU 79 Ca 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1yd1 h LEU 79 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1yd1 h LEU 79 CO -0.01 0.97 0.07 0.40 0.09 0.00 0.00 178.44 179.97 1yd1 h ILE 80 N 0.31 1.24 -0.82 1.22 2.04 -1.07 -0.65 117.51 119.78 1yd1 h ILE 80 Ca -0.01 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1yd1 h ILE 80 Cb 1.15 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1yd1 h ILE 80 CO 0.11 0.28 0.51 0.11 0.00 0.00 0.00 178.15 179.15 1yd1 h LYS 81 N 0.47 1.10 -0.27 2.37 1.57 -1.08 0.21 116.57 120.94 1yd1 h LYS 81 Ca 0.12 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1yd1 h LYS 81 Cb 0.35 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1yd1 h LYS 81 CO 0.01 0.76 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.39 1yd1 h LYS 82 N 1.12 0.51 0.00 3.15 3.64 -0.83 -3.35 116.57 120.80 1yd1 h LYS 82 Ca 0.29 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1yd1 h LYS 82 Cb -0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1yd1 h LYS 82 CO -0.06 0.70 -1.85 0.66 -2.27 0.00 0.00 179.45 176.63 1yd1 n TYR 83 N -4.55 0.00 -3.99 1.91 4.02 -0.28 -5.02 117.16 109.25 1yd1 n TYR 83 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 1yd1 n TYR 83 Cb 0.29 -0.43 0.01 0.00 -0.02 0.00 0.00 39.34 39.19 1yd1 n TYR 83 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1yd1 n ARG 84 N -2.15 -0.63 -2.12 -0.72 5.12 0.74 -4.82 116.66 112.08 1yd1 n ARG 84 Ca -0.03 0.26 -0.36 0.00 -1.93 0.00 0.00 57.85 55.79 1yd1 n ARG 84 Cb 0.51 -2.29 0.02 0.00 -1.16 0.00 0.00 32.46 29.54 1yd1 n ARG 84 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1yd1 s PRO 85 N -6.64 3.16 0.27 5.56 0.02 -1.26 -4.89 135.00 131.23 1yd1 s PRO 85 Ca 0.33 1.74 -0.09 0.00 0.02 0.00 0.00 61.00 63.00 1yd1 s PRO 85 Cb -0.18 -1.98 0.43 0.00 0.02 0.00 0.00 34.50 32.78 1yd1 s PRO 85 CO 0.93 -1.03 1.57 -0.22 -0.33 0.00 0.00 177.00 177.92 1yd1 h LYS 86 N 1.07 -0.00 -0.08 5.54 3.64 -1.71 -1.66 116.57 123.36 1yd1 h LYS 86 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1yd1 h LYS 86 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1yd1 h LYS 86 CO 0.56 -0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.40 1yd1 n TYR 87 N -5.60 0.08 -3.19 1.91 4.01 0.15 -4.85 117.16 109.67 1yd1 n TYR 87 Ca 0.15 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.46 1yd1 n TYR 87 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 1yd1 n TYR 87 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1yd1 s ASN 88 N -1.88 7.03 0.00 7.72 -0.87 -0.63 -4.99 114.94 121.33 1yd1 s ASN 88 Ca 0.34 1.23 0.26 0.00 -1.57 0.00 0.00 52.86 53.12 1yd1 s ASN 88 Cb 0.20 -2.38 1.55 0.00 -0.02 0.00 0.00 41.25 40.61 1yd1 s ASN 88 CO 0.31 0.13 1.91 1.33 -2.57 0.00 0.00 177.10 178.21