#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1csw n GLU -4 N 0.00 0.93 -3.96 -0.78 1.02 -1.26 -4.96 120.64 111.63 1csw n GLU -4 Ca 0.00 -2.46 -0.29 0.00 -0.02 0.00 0.00 57.16 54.40 1csw n GLU -4 Cb 0.00 -1.09 -0.17 0.00 -0.02 0.00 0.00 31.44 30.17 1csw n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1csw s PHE -3 N -1.98 1.90 -0.03 -0.32 5.36 -1.26 -5.05 117.98 116.61 1csw s PHE -3 Ca 0.29 -1.09 0.05 0.00 -0.96 0.00 0.00 56.93 55.23 1csw s PHE -3 Cb 0.28 -1.44 -0.03 0.00 -0.34 0.00 0.00 43.02 41.50 1csw s PHE -3 CO -0.05 -0.62 -0.18 0.15 -1.46 0.00 0.00 175.22 173.06 1csw s LYS -2 N 1.57 2.33 0.44 10.12 1.02 -1.26 -5.07 119.74 128.89 1csw s LYS -2 Ca 0.04 -0.80 -0.26 0.00 0.02 0.00 0.00 55.97 54.97 1csw s LYS -2 Cb -0.13 -2.26 -0.08 0.00 -0.52 0.00 0.00 37.83 34.83 1csw s LYS -2 CO -0.09 0.59 1.41 0.00 -0.92 0.00 0.00 175.35 176.35 1csw s ALA -1 N -0.73 3.26 0.00 5.17 0.00 -1.26 -4.71 121.76 123.49 1csw s ALA -1 Ca 0.12 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1csw s ALA -1 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1csw s ALA -1 CO 0.01 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1csw n GLY 1 N 0.58 5.27 3.52 0.00 0.00 -1.26 -4.97 105.19 108.34 1csw n GLY 1 Ca 0.05 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1csw n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1csw s SER 2 N 1.00 6.20 0.34 1.61 0.15 -1.26 -4.95 113.70 116.79 1csw s SER 2 Ca 0.00 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.29 1csw s SER 2 Cb 0.00 -2.22 0.61 0.00 -1.71 0.00 0.00 66.02 62.70 1csw s SER 2 CO 0.00 -0.45 2.00 0.00 1.20 0.00 0.00 173.24 175.99 1csw h ALA 3 N 8.56 1.54 -0.29 5.45 0.00 -1.87 0.82 119.26 133.48 1csw h ALA 3 Ca -0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1csw h ALA 3 Cb 1.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1csw h ALA 3 CO 0.74 0.42 0.05 0.87 0.00 0.00 0.00 179.25 181.33 1csw h LYS 4 N 0.91 0.48 -0.40 0.00 1.57 -1.92 0.20 116.57 117.41 1csw h LYS 4 Ca 0.26 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1csw h LYS 4 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1csw h LYS 4 CO -0.06 0.58 0.23 -0.22 -0.57 0.00 0.00 179.45 179.41 1csw h LYS 5 N 0.30 0.55 -0.74 3.15 1.63 -1.82 -2.65 116.57 116.99 1csw h LYS 5 Ca 0.09 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1csw h LYS 5 Cb 0.33 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 1csw h LYS 5 CO 0.00 0.43 0.42 0.78 -3.45 0.00 0.00 179.45 177.64 1csw h GLY 6 N 0.52 1.09 0.77 5.01 0.00 -0.65 -0.62 103.07 109.19 1csw h GLY 6 Ca 0.14 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.04 1csw h GLY 6 CO -0.02 0.45 0.24 0.00 0.00 0.00 0.00 176.54 177.20 1csw h ALA 7 N 1.43 0.59 0.00 3.60 0.00 -0.24 -1.88 119.26 122.77 1csw h ALA 7 Ca 0.26 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1csw h ALA 7 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1csw h ALA 7 CO -0.05 -0.11 -0.64 1.79 0.00 0.00 0.00 179.25 180.24 1csw h THR 8 N 0.47 1.28 -0.32 0.00 1.35 -1.28 -2.56 112.91 111.84 1csw h THR 8 Ca 0.20 -2.34 -0.02 0.00 -0.55 0.00 0.00 66.41 63.70 1csw h THR 8 Cb 0.10 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1csw h THR 8 CO -0.14 0.63 0.13 -0.07 -0.25 0.00 0.00 175.52 175.82 1csw h LEU 9 N 0.00 0.44 -0.15 3.87 3.38 -0.59 -2.36 115.31 119.90 1csw h LEU 9 Ca -0.01 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1csw h LEU 9 Cb 1.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1csw h LEU 9 CO 0.08 0.48 -0.06 0.15 0.09 0.00 0.00 178.44 179.18 1csw h PHE 10 N 0.37 -0.14 -0.06 1.13 3.57 -1.18 0.62 116.94 121.25 1csw h PHE 10 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1csw h PHE 10 Cb 0.17 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1csw h PHE 10 CO -0.01 -0.10 -0.18 -0.22 -2.23 0.00 0.00 178.31 175.57 1csw h LYS 11 N -0.04 -0.25 0.00 1.11 1.63 -1.39 0.71 116.57 118.34 1csw h LYS 11 Ca 0.08 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1csw h LYS 11 Cb 0.16 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1csw h LYS 11 CO -0.18 -0.17 -0.32 1.79 -3.45 0.00 0.00 179.45 177.12 1csw h THR 12 N -0.26 0.66 0.00 1.00 1.35 -1.17 -3.30 112.91 111.19 1csw h THR 12 Ca 0.08 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1csw h THR 12 Cb 0.37 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1csw h THR 12 CO -0.22 0.31 -0.90 0.54 -0.25 0.00 0.00 175.52 175.00 1csw n ARG 13 N -3.34 0.67 -0.00 4.72 5.12 0.21 -4.88 116.66 119.16 1csw n ARG 13 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1csw n ARG 13 Cb 0.54 -0.95 -0.01 0.00 -1.16 0.00 0.00 32.46 30.89 1csw n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1csw h LEU 15 N 0.00 0.47 -1.61 0.00 5.85 -1.06 -1.28 115.31 117.67 1csw h LEU 15 Ca -0.00 -0.06 0.21 0.00 0.84 0.00 0.00 57.88 58.87 1csw h LEU 15 Cb 0.17 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1csw h LEU 15 CO 0.00 0.46 0.60 -0.61 -0.34 0.00 0.00 178.44 178.55 1csw h GLN 16 N 0.51 0.31 0.00 1.25 4.15 -1.85 -3.18 115.11 116.30 1csw h GLN 16 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1csw h GLN 16 Cb 0.17 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1csw h GLN 16 CO -0.01 0.20 0.00 0.00 -1.93 0.00 0.00 178.83 177.10 1csw s HIS 18 N -0.03 0.34 0.24 0.00 3.76 -0.57 -0.02 115.29 119.02 1csw s HIS 18 Ca 0.00 -0.81 0.11 0.00 -0.15 0.00 0.00 55.06 54.20 1csw s HIS 18 Cb 0.00 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.44 1csw s HIS 18 CO 0.00 -0.49 -0.19 0.95 -0.85 0.00 0.00 174.74 174.16 1csw s THR 19 N -3.90 2.21 0.00 1.30 -4.23 -1.26 -4.36 115.64 105.40 1csw s THR 19 Ca 0.07 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1csw s THR 19 Cb 0.06 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1csw s THR 19 CO -0.09 -0.39 0.00 1.33 -0.54 0.00 0.00 174.62 174.92 1csw n VAL 20 N -0.33 0.00 -2.50 2.29 0.24 -1.26 -1.09 118.33 115.68 1csw n VAL 20 Ca -0.08 -0.17 -0.35 0.00 -2.04 0.00 0.00 64.34 61.70 1csw n VAL 20 Cb 0.59 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 1csw n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1csw s GLU 21 N -0.92 3.90 0.03 7.34 1.03 -1.26 -3.74 118.70 125.07 1csw s GLU 21 Ca 0.00 1.47 -0.30 0.00 0.03 0.00 0.00 54.97 56.17 1csw s GLU 21 Cb 0.00 -2.28 -0.08 0.00 -0.80 0.00 0.00 34.13 30.97 1csw s GLU 21 CO 0.00 -0.36 1.80 0.21 -1.33 0.00 0.00 175.26 175.57 1csw s LYS 22 N -2.92 4.16 0.00 -4.83 2.47 -1.26 -1.27 119.74 116.10 1csw s LYS 22 Ca 0.64 2.44 0.00 0.00 -1.56 0.00 0.00 55.97 57.48 1csw s LYS 22 Cb -0.20 -3.92 0.00 0.00 -1.46 0.00 0.00 37.83 32.25 1csw s LYS 22 CO 0.24 -0.86 0.00 0.41 0.16 0.00 0.00 175.35 175.30 1csw n GLY 23 N 4.27 0.70 3.88 5.54 0.00 -1.26 -5.05 105.19 113.28 1csw n GLY 23 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1csw n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1csw s GLY 24 N -2.00 2.16 0.60 -0.02 0.00 -0.40 -5.08 107.32 102.60 1csw s GLY 24 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.34 1csw s GLY 24 CO 0.00 -0.18 0.92 2.56 0.00 0.00 0.00 173.10 176.40 1csw s PRO 25 N -3.06 2.89 0.48 2.90 0.05 -1.26 -4.79 135.00 132.20 1csw s PRO 25 Ca 0.47 0.02 -0.20 0.00 0.05 0.00 0.00 61.00 61.34 1csw s PRO 25 Cb -0.11 -2.25 -0.09 0.00 0.05 0.00 0.00 34.50 32.10 1csw s PRO 25 CO 0.24 -0.75 1.02 -1.01 0.05 0.00 0.00 177.00 176.55 1csw s HIS 26 N -3.03 3.05 0.00 0.56 3.76 -1.26 -4.30 115.29 114.07 1csw s HIS 26 Ca 0.54 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 57.03 1csw s HIS 26 Cb -0.11 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.56 1csw s HIS 26 CO 0.46 -0.72 0.00 1.63 -0.85 0.00 0.00 174.74 175.25 1csw n LYS 27 N -0.97 0.00 -0.10 1.40 5.02 -1.26 -4.91 118.16 117.35 1csw n LYS 27 Ca 0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.34 1csw n LYS 27 Cb 0.53 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.72 1csw n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1csw h VAL 28 N 0.00 1.23 -2.08 -0.18 2.07 -1.86 -3.43 116.25 112.01 1csw h VAL 28 Ca 0.00 -0.93 -0.57 0.00 0.82 0.00 0.00 66.70 66.03 1csw h VAL 28 Cb 0.00 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 30.50 1csw h VAL 28 CO 0.00 0.33 -0.63 -0.83 0.02 0.00 0.00 177.57 176.46 1csw s GLY 29 N -3.72 1.83 0.61 2.17 0.00 0.98 -5.07 107.32 104.12 1csw s GLY 29 Ca -0.09 -1.78 -0.17 0.00 0.00 0.00 0.00 44.72 42.68 1csw s GLY 29 CO 0.80 -1.79 1.14 2.56 0.00 0.00 0.00 173.10 175.81 1csw s PRO 30 N -3.70 2.98 0.39 2.90 0.04 -1.26 -4.62 135.00 131.72 1csw s PRO 30 Ca 0.33 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 1csw s PRO 30 Cb -0.04 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1csw s PRO 30 CO 0.20 -1.14 1.31 1.21 0.04 0.00 0.00 177.00 178.61 1csw s ASN 31 N -2.09 6.44 0.00 6.66 3.84 -1.26 -4.44 114.94 124.09 1csw s ASN 31 Ca 0.71 2.67 0.22 0.00 0.21 0.00 0.00 52.86 56.67 1csw s ASN 31 Cb -0.24 -2.64 0.38 0.00 -0.55 0.00 0.00 41.25 38.20 1csw s ASN 31 CO 0.35 -0.76 1.35 0.18 -2.79 0.00 0.00 177.10 175.43 1csw n LEU 32 N 0.31 3.33 -4.64 3.21 4.77 -0.25 -4.97 117.00 118.76 1csw n LEU 32 Ca 0.03 -1.47 -0.45 0.00 -0.03 0.00 0.00 56.01 54.09 1csw n LEU 32 Cb 0.43 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1csw n LEU 32 CO 0.57 0.71 0.84 1.57 -1.33 0.00 0.00 177.39 179.75 1csw n HIS 33 N 1.39 1.86 -2.04 -1.77 -0.00 -1.25 -1.24 115.22 112.17 1csw n HIS 33 Ca 0.18 0.56 -0.21 0.00 0.46 0.00 0.00 57.72 58.71 1csw n HIS 33 Cb 0.58 -2.37 -0.05 0.00 -0.12 0.00 0.00 29.99 28.03 1csw n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1csw n GLY 34 N 1.58 0.61 0.30 1.57 0.00 0.20 -4.92 105.19 104.52 1csw n GLY 34 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1csw n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1csw h ILE 35 N 0.00 1.16 -2.92 -0.61 6.09 -1.38 -3.40 117.51 116.46 1csw h ILE 35 Ca -0.46 -0.52 -0.54 0.00 -1.37 0.00 0.00 64.86 61.97 1csw h ILE 35 Cb 1.36 0.67 0.01 0.00 0.47 0.00 0.00 36.82 39.33 1csw h ILE 35 CO 0.60 0.20 0.81 -0.36 -3.07 0.00 0.00 178.15 176.33 1csw s PHE 36 N -5.27 2.93 0.00 2.19 0.08 -1.26 -1.94 117.98 114.70 1csw s PHE 36 Ca -0.08 0.83 0.00 0.00 0.12 0.00 0.00 56.93 57.79 1csw s PHE 36 Cb 0.16 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 1csw s PHE 36 CO 0.76 -2.49 0.00 0.41 -0.10 0.00 0.00 175.22 173.79 1csw n GLY 37 N 3.62 2.33 3.95 4.36 0.00 0.26 -5.02 105.19 114.69 1csw n GLY 37 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1csw n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1csw s ARG 38 N -0.77 3.42 0.52 1.61 1.70 -0.82 -4.76 118.95 119.86 1csw s ARG 38 Ca 0.00 -0.48 -0.02 0.00 -0.47 0.00 0.00 55.73 54.75 1csw s ARG 38 Cb 0.00 -2.72 0.01 0.00 -0.57 0.00 0.00 34.95 31.67 1csw s ARG 38 CO 0.00 0.18 0.77 -1.01 -1.08 0.00 0.00 175.30 174.16 1csw s HIS 39 N -2.25 3.20 0.60 5.89 3.76 -1.25 -0.88 115.29 124.36 1csw s HIS 39 Ca 0.39 0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 55.50 1csw s HIS 39 Cb -0.09 -2.53 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 1csw s HIS 39 CO 0.34 -0.60 1.12 -1.54 -0.85 0.00 0.00 174.74 173.21 1csw s SER 40 N -4.27 5.42 -1.40 1.40 1.04 0.13 -3.92 113.70 112.09 1csw s SER 40 Ca 0.51 2.09 0.00 0.00 0.48 0.00 0.00 55.95 59.03 1csw s SER 40 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1csw s SER 40 CO 0.41 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1csw n GLY 41 N -0.19 0.32 0.62 7.32 0.00 -1.26 -4.71 105.19 107.30 1csw n GLY 41 Ca 0.11 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1csw n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1csw n GLN 42 N -2.49 2.88 -2.56 1.61 1.13 -1.25 -4.95 117.38 111.75 1csw n GLN 42 Ca -0.17 -2.07 -0.42 0.00 -1.94 0.00 0.00 57.00 52.40 1csw n GLN 42 Cb 0.59 -1.29 -0.03 0.00 0.11 0.00 0.00 30.24 29.62 1csw n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1csw s ALA 43 N -1.10 3.29 0.25 -1.58 0.00 -1.26 -5.01 121.76 116.34 1csw s ALA 43 Ca 0.23 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 1csw s ALA 43 Cb 0.13 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1csw s ALA 43 CO 0.15 -0.35 0.68 -1.83 0.00 0.00 0.00 175.76 174.41 1csw s GLU 44 N 1.07 4.07 0.00 0.00 -1.05 -1.26 -3.02 118.70 118.52 1csw s GLU 44 Ca 0.55 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 56.05 1csw s GLU 44 Cb -0.25 -2.71 0.00 0.00 -0.44 0.00 0.00 34.13 30.73 1csw s GLU 44 CO 0.28 0.32 0.00 0.41 0.95 0.00 0.00 175.26 177.22 1csw n GLY 45 N 0.26 0.75 3.35 -3.83 0.00 -1.26 -5.04 105.19 99.41 1csw n GLY 45 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1csw n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1csw s TYR 46 N -2.31 2.65 -1.03 1.61 6.14 -1.17 -5.06 117.35 118.19 1csw s TYR 46 Ca 0.00 -0.60 -0.17 0.00 0.64 0.00 0.00 57.07 56.94 1csw s TYR 46 Cb 0.00 -1.71 0.14 0.00 0.42 0.00 0.00 41.96 40.81 1csw s TYR 46 CO 0.00 -0.15 1.24 0.45 0.64 0.00 0.00 175.55 177.73 1csw s SER 47 N -0.05 6.78 0.79 4.32 0.15 -1.26 -4.93 113.70 119.50 1csw s SER 47 Ca -0.05 -2.36 -0.12 0.00 0.70 0.00 0.00 55.95 54.12 1csw s SER 47 Cb -0.14 -2.40 0.06 0.00 -1.71 0.00 0.00 66.02 61.83 1csw s SER 47 CO 0.04 -0.96 1.11 -0.31 1.20 0.00 0.00 173.24 174.32 1csw s TYR 48 N 2.34 2.94 0.70 3.44 2.02 -1.26 -5.06 117.35 122.47 1csw s TYR 48 Ca 0.36 1.06 -0.11 0.00 -0.37 0.00 0.00 57.07 58.01 1csw s TYR 48 Cb -0.04 -3.17 0.01 0.00 -0.40 0.00 0.00 41.96 38.36 1csw s TYR 48 CO -0.06 -1.67 1.08 0.95 -1.57 0.00 0.00 175.55 174.27 1csw s THR 49 N -3.26 3.73 0.25 -0.71 -4.23 -1.26 -4.96 115.64 105.20 1csw s THR 49 Ca 0.60 0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 61.62 1csw s THR 49 Cb -0.13 -3.51 0.24 0.00 1.34 0.00 0.00 72.50 70.44 1csw s THR 49 CO 0.53 -0.74 1.90 0.44 -0.54 0.00 0.00 174.62 176.22 1csw h ASP 50 N -0.64 1.05 0.30 3.99 5.19 -1.97 -3.15 116.42 121.19 1csw h ASP 50 Ca -0.45 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1csw h ASP 50 Cb 1.24 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 1csw h ASP 50 CO 0.62 0.73 -0.46 0.00 -3.12 0.00 0.00 179.24 177.02 1csw h ALA 51 N 1.37 -0.93 -0.33 3.45 0.00 -1.85 -1.51 119.26 119.46 1csw h ALA 51 Ca 0.37 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1csw h ALA 51 Cb -0.05 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1csw h ALA 51 CO -0.11 -1.07 -0.10 -0.97 0.00 0.00 0.00 179.25 177.00 1csw h ASN 52 N -0.81 -0.37 -0.28 0.00 -0.73 -1.88 -1.31 115.58 110.20 1csw h ASN 52 Ca -0.02 0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.32 1csw h ASN 52 Cb 0.76 0.23 -0.06 0.00 0.27 0.00 0.00 38.32 39.52 1csw h ASN 52 CO -0.16 -0.13 -0.13 0.40 -0.37 0.00 0.00 177.43 177.04 1csw h ILE 53 N -0.03 0.60 0.00 2.57 2.04 -1.48 -2.82 117.51 118.39 1csw h ILE 53 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1csw h ILE 53 Cb 0.28 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1csw h ILE 53 CO -0.35 0.00 0.00 0.11 0.00 0.00 0.00 178.15 177.91 1csw h LYS 54 N -0.09 0.00 -0.17 2.37 1.57 -1.09 -3.04 116.57 116.12 1csw h LYS 54 Ca 0.14 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 1csw h LYS 54 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1csw h LYS 54 CO -0.33 0.00 -0.44 -0.22 -0.57 0.00 0.00 179.45 177.89 1csw h LYS 55 N 0.00 0.42 -6.85 3.15 1.63 -0.98 -3.47 116.57 110.47 1csw h LYS 55 Ca 0.00 -0.22 -0.57 0.00 -0.85 0.00 0.00 60.65 59.01 1csw h LYS 55 Cb 0.74 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 32.22 1csw h LYS 55 CO 0.00 0.78 -0.93 -1.71 -3.45 0.00 0.00 179.45 174.14 1csw n ASN 56 N -4.00 0.21 -4.75 4.20 4.05 -1.15 -4.91 115.26 108.90 1csw n ASN 56 Ca -0.02 -1.16 -0.41 0.00 0.45 0.00 0.00 54.58 53.44 1csw n ASN 56 Cb 0.52 -2.20 -0.03 0.00 1.23 0.00 0.00 39.78 39.30 1csw n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1csw s VAL 57 N -4.14 2.99 -0.36 3.44 1.01 -1.26 -4.65 120.40 117.42 1csw s VAL 57 Ca 0.06 0.88 -0.16 0.00 0.00 0.00 0.00 61.98 62.76 1csw s VAL 57 Cb -0.03 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1csw s VAL 57 CO 0.95 0.17 0.41 -0.22 0.00 0.00 0.00 175.10 176.41 1csw s LEU 58 N -0.83 4.51 -0.17 3.92 1.98 -1.26 0.17 118.68 127.01 1csw s LEU 58 Ca 0.53 -0.29 -0.29 0.00 -2.89 0.00 0.00 54.13 51.20 1csw s LEU 58 Cb -0.38 -2.40 -0.01 0.00 0.66 0.00 0.00 46.19 44.06 1csw s LEU 58 CO 0.44 -0.42 1.16 0.26 -1.89 0.00 0.00 176.35 175.90 1csw s TRP 59 N 2.13 3.11 0.05 5.38 0.52 -0.06 -4.86 118.94 125.21 1csw s TRP 59 Ca 0.13 1.23 -0.05 0.00 0.02 0.00 0.00 56.10 57.44 1csw s TRP 59 Cb -0.16 -3.39 -0.02 0.00 -1.15 0.00 0.00 33.47 28.75 1csw s TRP 59 CO 0.12 -1.14 0.08 0.16 0.02 0.00 0.00 176.95 176.20 1csw s ASP 60 N 1.59 0.25 0.50 2.95 1.47 -1.26 -0.57 116.67 121.60 1csw s ASP 60 Ca 0.51 -0.69 0.40 0.00 1.18 0.00 0.00 52.55 53.95 1csw s ASP 60 Cb -0.20 0.24 1.60 0.00 -0.34 0.00 0.00 42.92 44.22 1csw s ASP 60 CO 0.13 -0.58 1.60 1.05 0.68 0.00 0.00 175.17 178.05 1csw h GLU 61 N 3.31 0.02 0.05 2.11 4.11 -1.97 -1.71 114.58 120.50 1csw h GLU 61 Ca -0.33 -0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.00 1csw h GLU 61 Cb 1.18 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.43 1csw h GLU 61 CO 0.56 0.01 -0.39 -0.91 0.07 0.00 0.00 179.01 178.35 1csw h ASN 62 N 0.02 0.26 -0.05 3.06 4.21 -1.96 -2.95 115.58 118.17 1csw h ASN 62 Ca 0.87 -0.91 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 1csw h ASN 62 Cb 3.17 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 40.28 1csw h ASN 62 CO -0.22 1.14 0.02 0.78 -1.29 0.00 0.00 177.43 177.86 1csw h ASN 63 N -0.59 0.07 -0.94 5.81 4.21 -1.79 -3.16 115.58 119.20 1csw h ASN 63 Ca -0.06 -0.17 0.10 0.00 1.21 0.00 0.00 56.30 57.38 1csw h ASN 63 Cb 1.25 -0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 38.36 1csw h ASN 63 CO 0.07 0.22 0.60 -0.03 -1.29 0.00 0.00 177.43 177.01 1csw h MET 64 N -0.08 0.92 -0.42 0.81 4.05 -1.46 0.96 114.93 119.71 1csw h MET 64 Ca 0.02 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1csw h MET 64 Cb 0.17 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1csw h MET 64 CO -0.00 0.61 0.07 1.03 0.23 0.00 0.00 176.91 178.85 1csw h SER 65 N 0.94 0.66 -0.25 1.39 0.87 -1.48 0.46 113.55 116.16 1csw h SER 65 Ca 0.44 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1csw h SER 65 Cb 0.41 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1csw h SER 65 CO -0.20 0.75 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.49 1csw h GLU 66 N 0.55 0.46 -0.08 2.24 3.07 -1.26 -2.42 114.58 117.13 1csw h GLU 66 Ca 0.13 -0.16 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1csw h GLU 66 Cb 0.37 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1csw h GLU 66 CO 0.01 0.66 -0.12 -0.92 -1.40 0.00 0.00 179.01 177.24 1csw h TYR 67 N 0.21 -0.30 0.00 4.33 3.20 0.13 -1.72 116.97 122.82 1csw h TYR 67 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1csw h TYR 67 Cb 0.48 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1csw h TYR 67 CO 0.05 -0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.32 1csw h LEU 68 N -0.16 0.00 -0.52 2.82 3.38 -0.83 -0.26 115.31 119.74 1csw h LEU 68 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1csw h LEU 68 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1csw h LEU 68 CO -0.18 0.00 -0.26 0.74 0.09 0.00 0.00 178.44 178.84 1csw h THR 69 N 0.00 1.27 -0.37 0.22 2.02 -0.79 0.60 112.91 115.85 1csw h THR 69 Ca 0.00 -1.42 0.07 0.00 0.77 0.00 0.00 66.41 65.83 1csw h THR 69 Cb 0.10 1.21 -0.17 0.00 -1.74 0.00 0.00 68.15 67.54 1csw h THR 69 CO 0.00 0.48 -0.18 0.21 0.37 0.00 0.00 175.52 176.40 1csw s ASN 70 N -6.76 -0.56 0.00 4.18 3.84 -0.70 -3.84 114.94 111.11 1csw s ASN 70 Ca -0.11 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 52.60 1csw s ASN 70 Cb 0.12 0.72 0.00 0.00 -0.55 0.00 0.00 41.25 41.54 1csw s ASN 70 CO 0.86 -0.05 0.00 -0.81 -2.79 0.00 0.00 177.10 174.31 1csw n PRO 71 N 3.58 0.00 0.00 0.43 -0.04 -0.19 -1.30 135.00 137.48 1csw n PRO 71 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1csw n PRO 71 Cb 0.62 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 1csw n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1csw n LYS 73 N 0.52 0.00 -0.04 0.54 3.00 -1.26 0.62 118.16 121.54 1csw n LYS 73 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1csw n LYS 73 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1csw n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1csw h TYR 74 N 0.00 0.62 -2.84 5.64 3.20 -1.53 -3.38 116.97 118.68 1csw h TYR 74 Ca 0.00 -0.25 -0.61 0.00 3.14 0.00 0.00 58.73 61.01 1csw h TYR 74 Cb 0.00 -0.10 -0.41 0.00 1.54 0.00 0.00 36.73 37.76 1csw h TYR 74 CO 0.00 1.00 -0.72 0.42 -1.64 0.00 0.00 178.16 177.22 1csw s ILE 75 N -3.80 1.96 0.14 1.81 1.01 0.20 -5.10 121.20 117.42 1csw s ILE 75 Ca -0.13 -3.65 -0.32 0.00 0.00 0.00 0.00 60.65 56.55 1csw s ILE 75 Cb 0.05 -2.30 -0.12 0.00 0.01 0.00 0.00 42.46 40.10 1csw s ILE 75 CO 0.80 -1.08 1.75 -2.65 0.00 0.00 0.00 174.94 173.76 1csw n PRO 76 N 2.34 2.59 0.00 2.79 -0.02 -1.26 -0.97 135.00 140.48 1csw n PRO 76 Ca 0.23 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 1csw n PRO 76 Cb 0.39 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1csw n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1csw n GLY 77 N 3.98 0.11 3.77 -1.23 0.00 -1.26 -4.76 105.19 105.80 1csw n GLY 77 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1csw n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1csw s THR 78 N -2.00 2.26 -2.09 2.61 -1.32 -0.14 -4.75 115.64 110.22 1csw s THR 78 Ca 0.00 0.24 0.17 0.00 -1.21 0.00 0.00 61.69 60.88 1csw s THR 78 Cb 0.00 -3.14 0.43 0.00 -1.51 0.00 0.00 72.50 68.28 1csw s THR 78 CO 0.00 0.04 1.39 2.29 -2.21 0.00 0.00 174.62 176.13 1csw n LYS 79 N 0.01 2.10 -2.12 7.08 2.85 -1.26 -4.81 118.16 122.02 1csw n LYS 79 Ca 0.04 -1.70 -0.42 0.00 -1.05 0.00 0.00 58.31 55.18 1csw n LYS 79 Cb 0.42 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.38 1csw n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1csw s MET 80 N -1.43 3.25 -1.42 -1.58 1.75 -1.26 -4.89 119.30 113.71 1csw s MET 80 Ca 0.33 1.08 -0.07 0.00 -1.25 0.00 0.00 55.69 55.78 1csw s MET 80 Cb 0.18 -4.19 0.06 0.00 2.84 0.00 0.00 34.83 33.71 1csw s MET 80 CO 0.24 -1.97 2.56 0.00 -0.65 0.00 0.00 175.02 175.20 1csw n ALA 81 N 10.39 7.03 -2.91 4.11 0.00 -1.26 -4.92 120.51 132.95 1csw n ALA 81 Ca 0.20 -3.91 -0.30 0.00 0.00 0.00 0.00 53.44 49.43 1csw n ALA 81 Cb 0.48 -2.97 -0.16 0.00 0.00 0.00 0.00 19.45 16.80 1csw n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1csw s PHE 82 N -0.09 2.26 0.06 0.00 5.36 -1.26 -5.03 117.98 119.28 1csw s PHE 82 Ca 0.59 -0.74 -0.26 0.00 -0.96 0.00 0.00 56.93 55.56 1csw s PHE 82 Cb 0.18 -1.50 -0.17 0.00 -0.34 0.00 0.00 43.02 41.19 1csw s PHE 82 CO -0.08 -0.25 1.56 0.78 -1.46 0.00 0.00 175.22 175.76 1csw h GLY 83 N 6.29 -0.33 0.00 13.12 0.00 -1.96 -3.41 103.07 116.78 1csw h GLY 83 Ca -0.29 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1csw h GLY 83 CO 0.47 -0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.50 1csw n GLY 84 N -0.88 3.77 3.04 4.60 0.00 -1.26 -4.54 105.19 109.91 1csw n GLY 84 Ca -0.09 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1csw n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1csw s MET 85 N -2.49 1.61 0.22 1.61 1.75 0.20 -5.00 119.30 117.20 1csw s MET 85 Ca 0.00 -1.84 0.11 0.00 -1.25 0.00 0.00 55.69 52.71 1csw s MET 85 Cb 0.00 -3.26 0.11 0.00 2.84 0.00 0.00 34.83 34.52 1csw s MET 85 CO 0.00 -0.94 1.46 0.87 -0.65 0.00 0.00 175.02 175.75 1csw h LYS 86 N 7.69 0.00 -6.13 4.11 1.79 -1.85 -3.37 116.57 118.81 1csw h LYS 86 Ca -0.06 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.84 1csw h LYS 86 Cb 1.03 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.63 1csw h LYS 86 CO 0.55 0.72 0.47 0.15 -1.08 0.00 0.00 179.45 180.26 1csw s LYS 87 N -3.11 4.38 0.32 3.15 1.02 -1.26 -4.94 119.74 119.30 1csw s LYS 87 Ca 0.01 1.22 0.05 0.00 0.02 0.00 0.00 55.97 57.27 1csw s LYS 87 Cb 0.10 -3.55 0.55 0.00 -0.52 0.00 0.00 37.83 34.42 1csw s LYS 87 CO 0.77 -0.29 1.81 1.49 -0.92 0.00 0.00 175.35 178.21 1csw h GLU 88 N 7.15 0.42 -0.72 1.68 4.81 -1.99 -1.67 114.58 124.26 1csw h GLU 88 Ca -0.31 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1csw h GLU 88 Cb 1.15 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1csw h GLU 88 CO 0.84 0.58 0.26 1.57 -0.73 0.00 0.00 179.01 181.53 1csw h LYS 89 N 0.38 1.10 -0.37 1.92 2.10 -1.98 0.53 116.57 120.25 1csw h LYS 89 Ca 0.07 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.49 1csw h LYS 89 Cb 0.52 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 1csw h LYS 89 CO 0.03 0.92 0.20 -0.44 -2.00 0.00 0.00 179.45 178.17 1csw h ASP 90 N 1.05 0.47 -0.59 7.07 3.32 -1.92 -1.47 116.42 124.35 1csw h ASP 90 Ca 0.24 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1csw h ASP 90 Cb 0.26 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1csw h ASP 90 CO -0.01 0.43 0.02 0.03 -1.72 0.00 0.00 179.24 177.99 1csw h ARG 91 N 0.47 1.03 -0.58 3.56 3.08 -0.61 -1.72 114.38 119.62 1csw h ARG 91 Ca 0.13 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.88 1csw h ARG 91 Cb 0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1csw h ARG 91 CO -0.02 1.01 0.37 -0.91 -1.07 0.00 0.00 179.97 179.35 1csw h ASN 92 N 0.93 0.62 -0.28 7.04 2.35 0.23 -1.41 115.58 125.06 1csw h ASN 92 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1csw h ASN 92 Cb 0.53 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1csw h ASN 92 CO 0.03 0.44 0.18 0.44 -1.65 0.00 0.00 177.43 176.87 1csw h ASP 93 N 0.74 0.32 -0.20 5.81 3.32 -1.12 -1.80 116.42 123.50 1csw h ASP 93 Ca 0.22 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1csw h ASP 93 Cb -0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1csw h ASP 93 CO -0.07 0.25 -0.05 0.25 -1.72 0.00 0.00 179.24 177.89 1csw h LEU 94 N 0.37 0.39 -1.72 1.55 5.85 -0.99 -1.96 115.31 118.81 1csw h LEU 94 Ca 0.10 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1csw h LEU 94 Cb -0.03 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1csw h LEU 94 CO -0.02 0.67 -0.15 0.40 -0.34 0.00 0.00 178.44 179.00 1csw h ILE 95 N 0.11 1.06 -0.57 4.05 2.04 -1.28 0.25 117.51 123.17 1csw h ILE 95 Ca 0.05 -0.54 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 1csw h ILE 95 Cb 0.51 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1csw h ILE 95 CO 0.02 0.15 -0.07 0.74 0.00 0.00 0.00 178.15 178.99 1csw h THR 96 N 0.00 1.27 0.01 -0.27 2.02 -0.94 0.71 112.91 115.70 1csw h THR 96 Ca -0.00 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1csw h THR 96 Cb 0.28 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1csw h THR 96 CO 0.02 0.44 -0.00 0.22 0.37 0.00 0.00 175.52 176.57 1csw h TYR 97 N 0.93 -0.01 0.05 3.16 3.20 -0.50 -3.08 116.97 120.72 1csw h TYR 97 Ca 0.15 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1csw h TYR 97 Cb 0.64 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1csw h TYR 97 CO 0.04 0.45 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.86 1csw h LEU 98 N -0.47 -0.24 -2.00 2.82 3.38 -0.42 0.15 115.31 118.53 1csw h LEU 98 Ca -0.00 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.27 1csw h LEU 98 Cb 0.46 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1csw h LEU 98 CO 0.00 -0.13 0.68 0.11 0.09 0.00 0.00 178.44 179.19 1csw h LYS 99 N -0.18 0.00 0.12 1.13 1.57 0.37 -0.51 116.57 119.06 1csw h LYS 99 Ca 0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.43 1csw h LYS 99 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1csw h LYS 99 CO -0.05 0.00 -2.00 1.63 -0.57 0.00 0.00 179.45 178.46 1csw n LYS 100 N -4.25 0.75 0.12 3.15 4.76 -0.36 -4.34 118.16 118.00 1csw n LYS 100 Ca 0.20 0.26 0.05 0.00 -2.87 0.00 0.00 58.31 55.95 1csw n LYS 100 Cb 1.01 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 32.51 1csw n LYS 100 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1csw h ALA 101 N 0.10 0.69 -0.46 7.82 0.00 -0.33 -3.26 119.26 123.82 1csw h ALA 101 Ca -0.42 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1csw h ALA 101 Cb 2.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1csw h ALA 101 CO 0.09 0.48 0.00 0.25 0.00 0.00 0.00 179.25 180.07 1csw n THR 102 N -3.01 0.61 1.67 0.00 -2.24 -0.24 -4.67 114.28 106.41 1csw n THR 102 Ca -0.01 -0.64 0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1csw n THR 102 Cb 0.70 0.37 0.67 0.00 -2.10 0.00 0.00 70.33 69.97 1csw n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71