#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab2 n SER 2 N 0.00 0.00 -1.70 1.61 3.41 -1.26 -4.44 113.62 111.24 1ab2 n SER 2 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1ab2 n SER 2 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1ab2 n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ab2 n GLY 3 N 0.00 0.64 1.45 5.00 0.00 -1.26 -4.89 105.19 106.13 1ab2 n GLY 3 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.02 1ab2 n GLY 3 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ab2 n ASN 4 N -1.69 -8.50 -3.47 1.61 3.02 -1.26 -4.80 115.26 100.17 1ab2 n ASN 4 Ca -0.01 1.13 -0.27 0.00 -0.03 0.00 0.00 54.58 55.40 1ab2 n ASN 4 Cb 0.52 -4.74 -0.10 0.00 -0.61 0.00 0.00 39.78 34.84 1ab2 n ASN 4 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ab2 n SER 5 N -4.32 0.61 -4.29 6.41 2.88 -1.26 -4.90 113.62 108.74 1ab2 n SER 5 Ca -0.05 -2.66 -0.31 0.00 -1.33 0.00 0.00 58.87 54.51 1ab2 n SER 5 Cb 0.68 -0.62 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 1ab2 n SER 5 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ab2 n LEU 6 N 2.30 -0.93 -3.36 2.46 7.99 -1.26 -4.46 117.00 119.75 1ab2 n LEU 6 Ca 0.26 -1.25 -0.34 0.00 -0.01 0.00 0.00 56.01 54.68 1ab2 n LEU 6 Cb 0.46 -1.55 -0.02 0.00 -0.11 0.00 0.00 43.42 42.19 1ab2 n LEU 6 CO 0.16 0.44 2.77 -0.62 -1.51 0.00 0.00 177.39 178.62 1ab2 n GLU 7 N -4.47 2.72 0.00 3.23 1.02 -1.26 -4.26 120.64 117.62 1ab2 n GLU 7 Ca -0.29 -1.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.91 1ab2 n GLU 7 Cb 0.67 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ab2 n LYS 8 N 4.58 0.00 -0.71 3.49 0.00 -1.24 -4.95 118.16 119.33 1ab2 n LYS 8 Ca 0.59 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.72 1ab2 n LYS 8 Cb 0.24 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.42 1ab2 n LYS 8 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ab2 n HIS 9 N 0.00 -3.61 1.30 5.64 8.25 -1.26 -4.83 115.22 120.71 1ab2 n HIS 9 Ca 0.00 -0.62 0.12 0.00 -0.26 0.00 0.00 57.72 56.96 1ab2 n HIS 9 Cb 0.00 -0.68 0.66 0.00 1.12 0.00 0.00 29.99 31.09 1ab2 n HIS 9 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ab2 n SER 10 N -4.05 0.00 -0.63 0.41 3.41 -1.26 -1.77 113.62 109.73 1ab2 n SER 10 Ca 0.09 -0.30 0.06 0.00 -0.26 0.00 0.00 58.87 58.46 1ab2 n SER 10 Cb 0.36 -0.19 0.16 0.00 -0.26 0.00 0.00 64.21 64.27 1ab2 n SER 10 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1ab2 n TRP 11 N -1.19 0.49 -4.05 7.33 4.27 -1.26 -4.15 117.44 118.88 1ab2 n TRP 11 Ca 0.14 -0.55 -0.27 0.00 -3.89 0.00 0.00 57.50 52.93 1ab2 n TRP 11 Cb 0.16 -0.07 -0.17 0.00 -1.36 0.00 0.00 31.31 29.88 1ab2 n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1ab2 s TYR 12 N -1.25 1.59 0.00 -2.67 5.04 -0.73 -3.91 117.35 115.43 1ab2 s TYR 12 Ca 0.24 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 1ab2 s TYR 12 Cb 0.14 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 41.19 1ab2 s TYR 12 CO 0.14 -0.50 0.00 -2.39 -1.34 0.00 0.00 175.55 171.46 1ab2 n HIS 13 N 4.71 0.00 -1.93 4.97 1.44 -1.26 -3.66 115.22 119.48 1ab2 n HIS 13 Ca -0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1ab2 n HIS 13 Cb 0.50 0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.65 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ab2 n GLY 14 N 3.13 3.62 3.60 -1.39 0.00 -1.26 -4.28 105.19 108.61 1ab2 n GLY 14 Ca 0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1ab2 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ab2 s PRO 15 N 1.30 3.56 -0.10 1.61 0.04 -1.26 -4.62 135.00 135.53 1ab2 s PRO 15 Ca 0.00 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 1ab2 s PRO 15 Cb 0.00 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 1ab2 s PRO 15 CO 0.00 -1.59 -0.09 0.54 0.04 0.00 0.00 177.00 175.90 1ab2 s VAL 16 N 5.48 3.51 0.15 -0.36 0.11 -1.26 -5.03 120.40 122.99 1ab2 s VAL 16 Ca 0.61 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.83 1ab2 s VAL 16 Cb -0.13 -2.46 -0.07 0.00 -1.53 0.00 0.00 36.38 32.19 1ab2 s VAL 16 CO 0.33 0.56 1.13 -0.44 -3.33 0.00 0.00 175.10 173.34 1ab2 s SER 17 N -0.28 7.21 0.27 3.54 0.01 -1.26 -4.70 113.70 118.50 1ab2 s SER 17 Ca 0.03 2.07 -0.01 0.00 1.31 0.00 0.00 55.95 59.36 1ab2 s SER 17 Cb -0.13 -2.60 0.47 0.00 0.21 0.00 0.00 66.02 63.98 1ab2 s SER 17 CO 0.03 -0.30 1.86 0.08 0.41 0.00 0.00 173.24 175.32 1ab2 h ARG 18 N 5.56 1.06 0.49 12.44 0.11 -1.98 0.50 114.38 132.55 1ab2 h ARG 18 Ca -0.44 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 1ab2 h ARG 18 Cb 1.21 -0.24 -0.02 0.00 1.11 0.00 0.00 29.97 32.04 1ab2 h ARG 18 CO 0.75 0.70 -0.43 -2.95 0.10 0.00 0.00 179.97 178.14 1ab2 h ASN 19 N 1.09 -1.14 -0.07 0.08 7.08 -2.00 -1.17 115.58 119.45 1ab2 h ASN 19 Ca 0.46 0.09 0.01 0.00 -3.08 0.00 0.00 56.30 53.78 1ab2 h ASN 19 Cb 0.31 0.37 -0.01 0.00 -2.08 0.00 0.00 38.32 36.92 1ab2 h ASN 19 CO -0.22 -0.60 0.01 0.00 -2.08 0.00 0.00 177.43 174.55 1ab2 h ALA 20 N -0.62 0.06 -1.29 4.14 0.00 -1.82 -1.07 119.26 118.67 1ab2 h ALA 20 Ca -0.05 0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.28 1ab2 h ALA 20 Cb 0.79 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 1ab2 h ALA 20 CO -0.03 -0.46 0.83 0.00 0.00 0.00 0.00 179.25 179.59 1ab2 h ALA 21 N 1.05 2.68 -0.12 0.00 0.00 0.26 2.28 119.26 125.42 1ab2 h ALA 21 Ca 0.03 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1ab2 h ALA 21 Cb 0.02 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ab2 h ALA 21 CO -0.04 -1.28 -0.60 0.93 0.00 0.00 0.00 179.25 178.26 1ab2 h GLU 22 N 0.12 0.61 0.18 0.00 4.39 0.06 -2.78 114.58 117.17 1ab2 h GLU 22 Ca 0.79 -0.50 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 1ab2 h GLU 22 Cb 2.44 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 31.19 1ab2 h GLU 22 CO -0.39 1.12 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.57 1ab2 h TYR 23 N 0.26 -0.23 -0.92 4.33 3.20 0.27 -3.32 116.97 120.56 1ab2 h TYR 23 Ca -0.04 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.02 1ab2 h TYR 23 Cb 1.24 0.08 -0.17 0.00 1.54 0.00 0.00 36.73 39.41 1ab2 h TYR 23 CO 0.11 -0.05 -0.16 1.25 -1.64 0.00 0.00 178.16 177.67 1ab2 h LEU 24 N -1.04 -0.74 -8.21 2.82 5.85 0.29 -3.32 115.31 110.95 1ab2 h LEU 24 Ca -0.03 0.27 -0.17 0.00 0.84 0.00 0.00 57.88 58.79 1ab2 h LEU 24 Cb 0.28 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1ab2 h LEU 24 CO 0.04 -0.30 0.89 0.18 -0.34 0.00 0.00 178.44 178.91 1ab2 n LEU 25 N -5.55 0.56 0.06 2.25 4.77 -1.05 -4.11 117.00 113.94 1ab2 n LEU 25 Ca 0.16 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1ab2 n LEU 25 Cb 0.52 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1ab2 n LEU 25 CO -0.07 -2.09 0.00 -1.54 -1.33 0.00 0.00 177.39 172.36 1ab2 n SER 26 N 13.45 -0.16 -4.59 -1.43 3.41 -1.25 -4.97 113.62 118.08 1ab2 n SER 26 Ca 0.55 0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 58.96 1ab2 n SER 26 Cb 0.31 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ab2 s SER 27 N -4.87 6.34 0.00 4.04 0.01 -1.26 -4.75 113.70 113.21 1ab2 s SER 27 Ca 0.00 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1ab2 s SER 27 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ab2 s SER 27 CO 0.00 -1.48 0.00 0.61 0.41 0.00 0.00 173.24 172.78 1ab2 n GLY 28 N 5.09 -0.70 0.00 3.44 0.00 -1.26 -5.07 105.19 106.69 1ab2 n GLY 28 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ab2 n GLY 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ab2 n ILE 29 N 0.00 0.00 0.92 -0.61 -5.35 -1.26 -4.98 119.36 108.07 1ab2 n ILE 29 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ab2 n ILE 29 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1ab2 n ILE 29 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ab2 n ASN 30 N -1.10 0.85 -3.36 7.28 0.23 -1.26 -4.50 115.26 113.40 1ab2 n ASN 30 Ca 0.00 -1.77 0.02 0.00 -0.53 0.00 0.00 54.58 52.30 1ab2 n ASN 30 Cb 0.00 -0.43 -0.02 0.00 -2.08 0.00 0.00 39.78 37.25 1ab2 n ASN 30 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1ab2 s GLY 31 N -0.15 -0.77 0.06 4.83 0.00 -1.26 -4.44 107.32 105.60 1ab2 s GLY 31 Ca 0.00 2.23 -0.16 0.00 0.00 0.00 0.00 44.72 46.79 1ab2 s GLY 31 CO 0.00 3.29 0.37 -1.35 0.00 0.00 0.00 173.10 175.41 1ab2 s SER 32 N 2.84 -0.21 0.23 1.64 1.04 -1.11 -4.47 113.70 113.66 1ab2 s SER 32 Ca 0.07 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.37 1ab2 s SER 32 Cb -0.13 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1ab2 s SER 32 CO -0.19 -0.69 0.15 -0.36 0.98 0.00 0.00 173.24 173.13 1ab2 s PHE 33 N -2.80 1.32 0.25 5.02 0.40 -1.26 -0.15 117.98 120.76 1ab2 s PHE 33 Ca -0.03 -1.39 -0.04 0.00 -0.60 0.00 0.00 56.93 54.86 1ab2 s PHE 33 Cb -0.00 -0.65 0.02 0.00 0.51 0.00 0.00 43.02 42.90 1ab2 s PHE 33 CO -0.05 -0.62 0.40 1.28 0.70 0.00 0.00 175.22 176.93 1ab2 n LEU 34 N -0.37 0.00 -3.96 -0.37 4.77 0.20 -4.79 117.00 112.49 1ab2 n LEU 34 Ca 0.02 -1.88 -0.18 0.00 -0.03 0.00 0.00 56.01 53.95 1ab2 n LEU 34 Cb 0.65 2.03 -0.15 0.00 -2.33 0.00 0.00 43.42 43.62 1ab2 n LEU 34 CO 0.34 -0.49 -0.41 0.54 -1.33 0.00 0.00 177.39 176.03 1ab2 s VAL 35 N -2.59 0.52 -0.05 4.08 0.11 -1.25 -2.30 120.40 118.92 1ab2 s VAL 35 Ca 0.17 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 1ab2 s VAL 35 Cb -0.02 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1ab2 s VAL 35 CO 0.12 0.17 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.33 1ab2 s ARG 36 N 0.13 1.52 -0.24 1.54 3.00 -1.01 -4.63 118.95 119.26 1ab2 s ARG 36 Ca -0.01 -0.43 -0.03 0.00 -1.00 0.00 0.00 55.73 54.26 1ab2 s ARG 36 Cb -0.06 -1.31 0.01 0.00 0.00 0.00 0.00 34.95 33.60 1ab2 s ARG 36 CO -0.00 0.10 -0.05 -2.00 0.00 0.00 0.00 175.30 173.35 1ab2 s GLU 37 N 0.41 3.08 0.97 5.12 2.12 -1.26 0.13 118.70 129.26 1ab2 s GLU 37 Ca -0.09 -0.82 -0.14 0.00 0.36 0.00 0.00 54.97 54.28 1ab2 s GLU 37 Cb -0.13 -3.01 0.12 0.00 0.26 0.00 0.00 34.13 31.37 1ab2 s GLU 37 CO 0.02 -0.32 0.12 0.45 -0.54 0.00 0.00 175.26 174.99 1ab2 n SER 38 N 4.74 -2.83 0.06 -1.70 2.88 -0.87 -4.77 113.62 111.12 1ab2 n SER 38 Ca -0.17 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1ab2 n SER 38 Cb 0.49 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1ab2 n SER 38 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ab2 n GLU 39 N -1.15 0.00 -0.38 -1.46 1.02 -1.26 -4.75 120.64 112.66 1ab2 n GLU 39 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1ab2 n GLU 39 Cb 0.38 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 1ab2 n GLU 39 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ab2 n SER 40 N -3.44 4.07 -4.16 1.62 3.41 -1.26 -4.74 113.62 109.13 1ab2 n SER 40 Ca 0.00 -2.07 -0.16 0.00 -0.26 0.00 0.00 58.87 56.38 1ab2 n SER 40 Cb 0.00 -0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 62.98 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ab2 s SER 41 N 1.98 1.45 0.00 4.04 1.04 -1.26 -5.01 113.70 115.94 1ab2 s SER 41 Ca 0.00 -0.70 0.12 0.00 0.48 0.00 0.00 55.95 55.85 1ab2 s SER 41 Cb 0.00 -0.01 0.69 0.00 0.10 0.00 0.00 66.02 66.80 1ab2 s SER 41 CO 0.00 -0.18 1.25 -0.81 0.98 0.00 0.00 173.24 174.48 1ab2 n PRO 42 N 0.97 0.75 0.00 4.02 -0.04 -1.26 -4.55 135.00 134.89 1ab2 n PRO 42 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1ab2 n PRO 42 Cb 0.56 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1ab2 n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab2 n GLY 43 N 0.37 -0.07 3.78 0.55 0.00 -1.26 -5.16 105.19 103.40 1ab2 n GLY 43 Ca 0.09 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1ab2 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ab2 s GLN 44 N 0.00 3.06 0.04 1.61 -1.52 -1.26 -5.04 119.66 116.55 1ab2 s GLN 44 Ca 0.00 -0.50 0.06 0.00 -1.95 0.00 0.00 55.36 52.97 1ab2 s GLN 44 Cb 0.00 -2.86 -0.02 0.00 -0.22 0.00 0.00 33.01 29.91 1ab2 s GLN 44 CO 0.00 0.64 -0.16 1.03 -0.25 0.00 0.00 175.29 176.55 1ab2 s ARG 45 N -1.78 1.03 0.32 2.91 3.00 -1.26 -2.05 118.95 121.11 1ab2 s ARG 45 Ca 0.23 -0.83 0.04 0.00 0.00 0.00 0.00 55.73 55.17 1ab2 s ARG 45 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 34.95 33.72 1ab2 s ARG 45 CO 0.15 0.27 0.17 -1.54 0.00 0.00 0.00 175.30 174.34 1ab2 s SER 46 N -1.21 1.69 -0.04 0.23 1.04 0.34 -0.15 113.70 115.60 1ab2 s SER 46 Ca 0.03 -1.58 0.01 0.00 0.48 0.00 0.00 55.95 54.88 1ab2 s SER 46 Cb -0.08 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1ab2 s SER 46 CO 0.02 -0.90 -0.02 -0.51 0.98 0.00 0.00 173.24 172.81 1ab2 s ILE 47 N -3.55 0.32 -0.65 -1.02 1.10 -0.21 -2.40 121.20 114.80 1ab2 s ILE 47 Ca 0.35 0.01 -0.00 0.00 -0.51 0.00 0.00 60.65 60.49 1ab2 s ILE 47 Cb 0.05 -0.40 0.16 0.00 0.15 0.00 0.00 42.46 42.42 1ab2 s ILE 47 CO 0.18 0.18 0.45 -0.94 -2.11 0.00 0.00 174.94 172.70 1ab2 s SER 48 N 1.03 5.07 0.26 4.50 1.04 -0.97 -1.01 113.70 123.60 1ab2 s SER 48 Ca -0.10 -3.12 -0.01 0.00 0.48 0.00 0.00 55.95 53.20 1ab2 s SER 48 Cb -0.14 -1.79 -0.04 0.00 0.10 0.00 0.00 66.02 64.15 1ab2 s SER 48 CO -0.01 -0.28 0.46 -1.48 0.98 0.00 0.00 173.24 172.91 1ab2 s LEU 49 N -0.45 4.15 0.14 2.42 -0.00 -0.30 -0.62 118.68 124.01 1ab2 s LEU 49 Ca 0.19 0.46 -0.09 0.00 -0.00 0.00 0.00 54.13 54.69 1ab2 s LEU 49 Cb -0.18 -3.26 -0.01 0.00 -0.00 0.00 0.00 46.19 42.74 1ab2 s LEU 49 CO -0.05 -0.13 0.25 0.00 -0.00 0.00 0.00 176.35 176.42 1ab2 s ARG 50 N -3.64 1.05 0.00 1.48 1.04 0.79 0.23 118.95 119.89 1ab2 s ARG 50 Ca 0.40 -1.10 0.00 0.00 -1.04 0.00 0.00 55.73 53.99 1ab2 s ARG 50 Cb -0.10 0.37 0.00 0.00 -2.04 0.00 0.00 34.95 33.17 1ab2 s ARG 50 CO 0.31 -0.37 0.00 0.98 -0.04 0.00 0.00 175.30 176.18 1ab2 n TYR 51 N -0.16 0.00 0.00 5.89 9.36 -1.15 -2.74 117.16 128.36 1ab2 n TYR 51 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1ab2 n TYR 51 Cb 0.63 0.15 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ab2 n GLU 52 N -1.47 0.00 -1.14 2.98 2.13 -1.26 -4.07 120.64 117.81 1ab2 n GLU 52 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1ab2 n GLU 52 Cb 0.00 0.00 0.18 0.00 0.27 0.00 0.00 31.44 31.89 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ab2 n GLY 53 N 4.74 4.67 3.21 8.31 0.00 -1.26 -4.94 105.19 119.91 1ab2 n GLY 53 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1ab2 n GLY 53 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ab2 s ARG 54 N -3.31 0.78 -0.04 1.61 1.70 -1.26 -5.15 118.95 113.27 1ab2 s ARG 54 Ca 0.54 -0.69 0.05 0.00 -0.47 0.00 0.00 55.73 55.16 1ab2 s ARG 54 Cb 0.46 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 35.16 1ab2 s ARG 54 CO 0.08 -0.24 -0.19 0.08 -1.08 0.00 0.00 175.30 173.94 1ab2 s VAL 55 N -2.97 1.58 -0.14 4.99 1.01 -1.26 -2.93 120.40 120.68 1ab2 s VAL 55 Ca -0.02 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1ab2 s VAL 55 Cb 0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1ab2 s VAL 55 CO -0.06 0.45 0.19 -0.31 0.00 0.00 0.00 175.10 175.37 1ab2 s TYR 56 N -0.05 3.53 -0.32 5.22 1.51 0.62 -4.94 117.35 122.92 1ab2 s TYR 56 Ca -0.03 0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 56.51 1ab2 s TYR 56 Cb -0.12 -2.11 0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1ab2 s TYR 56 CO 0.02 0.51 0.06 -1.01 -1.11 0.00 0.00 175.55 174.02 1ab2 s HIS 57 N -0.37 3.25 -0.15 2.71 3.76 -1.26 -1.15 115.29 122.08 1ab2 s HIS 57 Ca 0.14 -1.59 -0.00 0.00 -0.15 0.00 0.00 55.06 53.45 1ab2 s HIS 57 Cb -0.12 -2.20 0.03 0.00 1.11 0.00 0.00 32.58 31.40 1ab2 s HIS 57 CO 0.03 -0.75 -0.08 0.71 -0.85 0.00 0.00 174.74 173.79 1ab2 s TYR 58 N 1.34 1.80 0.80 1.40 1.51 -0.18 -4.99 117.35 119.04 1ab2 s TYR 58 Ca -0.03 -1.06 -0.13 0.00 -1.01 0.00 0.00 57.07 54.84 1ab2 s TYR 58 Cb -0.19 -1.38 0.08 0.00 -0.11 0.00 0.00 41.96 40.36 1ab2 s TYR 58 CO 0.01 -0.61 1.18 -0.98 -1.11 0.00 0.00 175.55 174.04 1ab2 s ARG 59 N 1.60 1.72 0.08 -0.62 1.70 -1.26 -1.04 118.95 121.13 1ab2 s ARG 59 Ca 0.03 1.66 -0.31 0.00 -0.47 0.00 0.00 55.73 56.64 1ab2 s ARG 59 Cb -0.14 -1.80 -0.08 0.00 -0.57 0.00 0.00 34.95 32.37 1ab2 s ARG 59 CO -0.08 -2.13 1.54 0.42 -1.08 0.00 0.00 175.30 173.96 1ab2 s ILE 60 N -2.27 3.17 -0.18 4.99 -1.09 0.79 -4.77 121.20 121.84 1ab2 s ILE 60 Ca 0.71 0.69 -0.23 0.00 -2.23 0.00 0.00 60.65 59.59 1ab2 s ILE 60 Cb -0.26 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1ab2 s ILE 60 CO 0.51 0.02 0.74 0.21 -1.23 0.00 0.00 174.94 175.18 1ab2 s ASN 61 N 1.87 6.84 -0.06 3.58 2.47 -1.26 -4.93 114.94 123.44 1ab2 s ASN 61 Ca 0.69 1.02 0.02 0.00 0.42 0.00 0.00 52.86 55.02 1ab2 s ASN 61 Cb -0.38 -2.41 -0.03 0.00 -1.45 0.00 0.00 41.25 36.99 1ab2 s ASN 61 CO 0.30 -0.33 -0.12 -0.89 -3.72 0.00 0.00 177.10 172.34 1ab2 s THR 62 N 1.98 3.24 1.05 -5.21 2.01 -1.26 -0.53 115.64 116.92 1ab2 s THR 62 Ca 0.34 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 1ab2 s THR 62 Cb -0.16 -2.29 0.26 0.00 0.01 0.00 0.00 72.50 70.32 1ab2 s THR 62 CO 0.12 0.59 0.93 0.00 -0.69 0.00 0.00 174.62 175.57 1ab2 n ALA 63 N 2.40 -2.94 -0.91 7.40 0.00 -0.46 -4.86 120.51 121.14 1ab2 n ALA 63 Ca -0.17 -1.39 -0.12 0.00 0.00 0.00 0.00 53.44 51.76 1ab2 n ALA 63 Cb 0.52 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1ab2 n ALA 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ab2 n SER 64 N -4.61 5.73 0.12 0.00 3.41 -1.26 -3.70 113.62 113.32 1ab2 n SER 64 Ca 0.13 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1ab2 n SER 64 Cb 0.50 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1ab2 n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ab2 n ASP 65 N 1.49 -1.52 0.00 4.04 2.03 -1.26 -5.06 116.55 116.27 1ab2 n ASP 65 Ca 0.28 0.46 0.00 0.00 0.52 0.00 0.00 54.79 56.05 1ab2 n ASP 65 Cb 0.66 1.58 0.00 0.00 -0.72 0.00 0.00 41.12 42.64 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ab2 n GLY 66 N -0.12 0.41 3.53 0.27 0.00 -1.24 -5.15 105.19 102.88 1ab2 n GLY 66 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ab2 n LYS 67 N 0.00 -0.05 -3.69 1.61 5.02 -1.26 -4.68 118.16 115.11 1ab2 n LYS 67 Ca 0.00 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 1ab2 n LYS 67 Cb 0.00 -2.06 -0.12 0.00 -0.02 0.00 0.00 35.03 32.83 1ab2 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ab2 s LEU 68 N -2.65 4.11 -0.04 -0.35 1.02 0.50 -1.35 118.68 119.91 1ab2 s LEU 68 Ca 0.64 -0.66 0.00 0.00 0.02 0.00 0.00 54.13 54.13 1ab2 s LEU 68 Cb -0.27 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.01 1ab2 s LEU 68 CO 0.60 -0.22 -0.01 -0.72 0.02 0.00 0.00 176.35 176.01 1ab2 s TYR 69 N 1.56 0.50 -0.14 0.29 1.13 0.31 0.25 117.35 121.24 1ab2 s TYR 69 Ca 0.03 -0.08 0.20 0.00 -1.41 0.00 0.00 57.07 55.81 1ab2 s TYR 69 Cb -0.17 -0.55 -0.16 0.00 -1.10 0.00 0.00 41.96 39.98 1ab2 s TYR 69 CO 0.05 -0.18 0.72 0.28 -2.51 0.00 0.00 175.55 173.91 1ab2 n VAL 70 N 4.29 0.78 0.00 -3.49 0.31 -1.26 -4.31 118.33 114.64 1ab2 n VAL 70 Ca -0.22 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.48 1ab2 n VAL 70 Cb 0.50 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1ab2 n VAL 70 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ab2 n SER 71 N -2.67 0.00 0.00 4.52 2.88 -1.26 -4.84 113.62 112.25 1ab2 n SER 71 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ab2 n SER 71 Cb 0.73 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1ab2 n SER 71 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ab2 n SER 72 N -1.57 0.00 0.00 -3.46 3.41 -1.26 -4.92 113.62 105.82 1ab2 n SER 72 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1ab2 n SER 72 Cb 0.00 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.45 1ab2 n SER 72 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ab2 n GLU 73 N 0.00 0.36 -2.49 4.33 0.28 -1.26 -2.74 120.64 119.12 1ab2 n GLU 73 Ca 0.00 0.08 -0.18 0.00 -0.16 0.00 0.00 57.16 56.90 1ab2 n GLU 73 Cb 0.00 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.39 1ab2 n GLU 73 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1ab2 n SER 74 N -1.21 3.45 -4.74 -1.84 7.64 -1.26 -5.09 113.62 110.57 1ab2 n SER 74 Ca 0.10 -3.22 -0.30 0.00 1.01 0.00 0.00 58.87 56.46 1ab2 n SER 74 Cb 0.13 -0.46 0.12 0.00 -1.01 0.00 0.00 64.21 62.99 1ab2 n SER 74 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1ab2 s ARG 75 N -3.48 1.57 0.31 1.43 3.52 -1.11 -4.52 118.95 116.68 1ab2 s ARG 75 Ca 0.40 0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 56.82 1ab2 s ARG 75 Cb 0.41 -1.84 -0.01 0.00 -1.56 0.00 0.00 34.95 31.94 1ab2 s ARG 75 CO -0.06 -2.03 0.40 -0.06 -0.81 0.00 0.00 175.30 172.74 1ab2 s PHE 76 N -2.97 1.11 -0.02 5.12 0.08 0.69 -4.93 117.98 117.06 1ab2 s PHE 76 Ca 0.63 -1.30 0.02 0.00 0.12 0.00 0.00 56.93 56.40 1ab2 s PHE 76 Cb -0.17 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 1ab2 s PHE 76 CO 0.56 -1.01 0.02 0.09 -0.10 0.00 0.00 175.22 174.78 1ab2 n ASN 77 N -1.16 4.45 -4.16 1.36 3.02 -1.26 0.19 115.26 117.70 1ab2 n ASN 77 Ca 0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.34 1ab2 n ASN 77 Cb 0.62 0.72 -0.14 0.00 -0.61 0.00 0.00 39.78 40.37 1ab2 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ab2 s THR 78 N -2.09 1.27 0.19 3.41 2.01 -1.26 -4.60 115.64 114.57 1ab2 s THR 78 Ca -0.01 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.89 1ab2 s THR 78 Cb 0.01 -1.10 0.12 0.00 0.01 0.00 0.00 72.50 71.54 1ab2 s THR 78 CO 0.09 0.20 1.58 0.17 -0.69 0.00 0.00 174.62 175.97 1ab2 h LEU 79 N 5.29 -1.29 -0.42 4.42 -0.00 -1.96 -0.47 115.31 120.89 1ab2 h LEU 79 Ca -0.38 0.25 0.04 0.00 -0.00 0.00 0.00 57.88 57.79 1ab2 h LEU 79 Cb 1.17 0.63 -0.06 0.00 -0.00 0.00 0.00 40.66 42.39 1ab2 h LEU 79 CO 0.46 -0.31 -0.39 0.00 -0.00 0.00 0.00 178.44 178.20 1ab2 h ALA 80 N 0.97 -0.54 -0.80 0.17 0.00 -2.00 1.52 119.26 118.58 1ab2 h ALA 80 Ca 0.24 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.41 1ab2 h ALA 80 Cb 0.56 1.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1ab2 h ALA 80 CO -0.73 -0.76 0.92 0.93 0.00 0.00 0.00 179.25 179.61 1ab2 h GLU 81 N -0.18 0.00 0.56 0.00 4.39 -1.53 0.65 114.58 118.47 1ab2 h GLU 81 Ca 0.07 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1ab2 h GLU 81 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1ab2 h GLU 81 CO -0.49 0.00 -0.27 1.25 -1.16 0.00 0.00 179.01 178.34 1ab2 h LEU 82 N 0.00 -0.64 -0.75 1.33 6.46 0.30 -2.60 115.31 119.40 1ab2 h LEU 82 Ca 0.38 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 58.05 1ab2 h LEU 82 Cb 2.22 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 42.29 1ab2 h LEU 82 CO -0.00 -0.25 0.09 0.58 -0.62 0.00 0.00 178.44 178.24 1ab2 h VAL 83 N -1.15 1.26 -0.55 1.05 2.07 0.25 -0.76 116.25 118.42 1ab2 h VAL 83 Ca -0.08 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.51 1ab2 h VAL 83 Cb 0.62 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.95 1ab2 h VAL 83 CO 0.13 0.38 -0.43 0.45 0.02 0.00 0.00 177.57 178.12 1ab2 h HIS 84 N 0.98 -1.26 -0.13 1.57 3.86 0.04 2.42 115.15 122.63 1ab2 h HIS 84 Ca 0.19 0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1ab2 h HIS 84 Cb 0.43 0.63 -0.00 0.00 1.06 0.00 0.00 27.41 29.53 1ab2 h HIS 84 CO 0.03 -0.42 -0.02 1.25 0.86 0.00 0.00 177.93 179.62 1ab2 h HIS 85 N -0.24 0.28 0.00 2.45 6.17 -1.31 -1.88 115.15 120.63 1ab2 h HIS 85 Ca 0.18 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1ab2 h HIS 85 Cb 0.57 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.43 1ab2 h HIS 85 CO -0.69 0.52 0.00 0.72 0.71 0.00 0.00 177.93 179.19 1ab2 n HIS 86 N -4.74 0.00 0.08 5.26 8.25 -0.30 0.12 115.22 123.89 1ab2 n HIS 86 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 1ab2 n HIS 86 Cb 0.24 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.17 1ab2 n HIS 86 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ab2 h SER 87 N 0.00 0.79 0.00 0.41 4.64 0.49 -3.23 113.55 116.66 1ab2 h SER 87 Ca 0.00 -0.71 -0.04 0.00 -0.47 0.00 0.00 61.79 60.57 1ab2 h SER 87 Cb 0.02 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1ab2 h SER 87 CO 0.00 1.52 -1.22 0.35 -0.87 0.00 0.00 176.83 176.61 1ab2 n THR 88 N -3.77 0.16 -3.56 2.95 -2.24 -0.73 -4.75 114.28 102.34 1ab2 n THR 88 Ca -0.12 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 1ab2 n THR 88 Cb 0.96 -0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ab2 s VAL 89 N -2.15 0.74 -0.88 2.28 1.01 0.32 -5.00 120.40 116.72 1ab2 s VAL 89 Ca -0.02 -2.25 -0.07 0.00 0.00 0.00 0.00 61.98 59.65 1ab2 s VAL 89 Cb 0.02 -1.52 -0.13 0.00 0.00 0.00 0.00 36.38 34.75 1ab2 s VAL 89 CO 0.15 -0.99 2.78 0.00 0.00 0.00 0.00 175.10 177.04 1ab2 n ALA 90 N 3.62 6.08 -0.77 5.51 0.00 -1.25 -3.32 120.51 130.37 1ab2 n ALA 90 Ca 0.14 -2.42 -0.08 0.00 0.00 0.00 0.00 53.44 51.07 1ab2 n ALA 90 Cb 0.38 -2.91 -0.12 0.00 0.00 0.00 0.00 19.45 16.80 1ab2 n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ab2 n ASP 91 N 3.40 4.55 0.05 0.00 2.03 -1.26 -3.78 116.55 121.55 1ab2 n ASP 91 Ca 0.55 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 53.54 1ab2 n ASP 91 Cb 0.39 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ab2 n GLY 92 N 2.36 -1.86 3.74 0.27 0.00 -1.26 -4.31 105.19 104.12 1ab2 n GLY 92 Ca 0.29 0.54 -0.41 0.00 0.00 0.00 0.00 46.02 46.44 1ab2 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ab2 s LEU 93 N -4.97 4.54 0.00 0.99 1.43 -1.25 -4.82 118.68 114.61 1ab2 s LEU 93 Ca 0.00 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1ab2 s LEU 93 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1ab2 s LEU 93 CO 0.00 -0.03 0.31 0.00 0.23 0.00 0.00 176.35 176.86 1ab2 n ILE 94 N 2.27 0.00 -1.95 -0.59 3.06 -1.26 -4.53 119.36 116.36 1ab2 n ILE 94 Ca 0.01 0.81 -0.34 0.00 -2.50 0.00 0.00 62.75 60.74 1ab2 n ILE 94 Cb 0.48 -1.36 0.03 0.00 0.54 0.00 0.00 39.64 39.32 1ab2 n ILE 94 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1ab2 s THR 95 N -0.62 3.30 -0.30 9.51 -1.32 -1.26 -4.97 115.64 119.98 1ab2 s THR 95 Ca 0.00 0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 61.03 1ab2 s THR 95 Cb 0.00 -3.20 -0.04 0.00 -1.51 0.00 0.00 72.50 67.75 1ab2 s THR 95 CO 0.00 -0.32 0.21 0.42 -2.21 0.00 0.00 174.62 172.72 1ab2 s THR 96 N -2.18 5.29 0.03 5.08 -4.23 -1.26 -4.95 115.64 113.41 1ab2 s THR 96 Ca 0.68 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1ab2 s THR 96 Cb -0.21 -3.58 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 1ab2 s THR 96 CO 0.36 0.17 0.06 0.18 -0.54 0.00 0.00 174.62 174.85 1ab2 n LEU 97 N 5.07 -0.16 0.00 4.79 4.77 -1.22 -4.92 117.00 125.34 1ab2 n LEU 97 Ca -0.14 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ab2 n LEU 97 Cb 0.51 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1ab2 n LEU 97 CO 0.34 -0.37 0.00 1.57 -1.33 0.00 0.00 177.39 177.60 1ab2 n HIS 98 N -0.01 0.00 -3.73 -1.77 -0.00 -1.26 -4.92 115.22 103.53 1ab2 n HIS 98 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.62 1ab2 n HIS 98 Cb 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.90 1ab2 n HIS 98 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1ab2 s TYR 99 N -0.37 -0.35 -1.11 1.57 1.13 -1.26 -5.08 117.35 111.88 1ab2 s TYR 99 Ca 0.00 0.82 -0.22 0.00 -1.41 0.00 0.00 57.07 56.26 1ab2 s TYR 99 Cb 0.00 0.08 -0.00 0.00 -1.10 0.00 0.00 41.96 40.94 1ab2 s TYR 99 CO 0.00 -0.23 1.77 -1.25 -2.51 0.00 0.00 175.55 173.33 1ab2 s PRO 100 N 1.09 3.18 0.61 -3.49 0.04 -1.26 -4.64 135.00 130.53 1ab2 s PRO 100 Ca -0.08 -1.19 -0.18 0.00 0.04 0.00 0.00 61.00 59.60 1ab2 s PRO 100 Cb -0.09 -5.31 -0.11 0.00 0.04 0.00 0.00 34.50 29.03 1ab2 s PRO 100 CO -0.08 -2.96 0.15 0.00 0.04 0.00 0.00 177.00 174.16 1ab2 n ALA 101 N 11.35 -2.36 -1.70 8.56 0.00 -1.26 -4.54 120.51 130.57 1ab2 n ALA 101 Ca 0.42 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 1ab2 n ALA 101 Cb 0.48 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1ab2 n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ab2 s PRO 102 N -1.77 3.43 -0.61 0.00 0.04 -1.26 -4.54 135.00 130.29 1ab2 s PRO 102 Ca 0.61 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.56 1ab2 s PRO 102 Cb -0.43 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.10 1ab2 s PRO 102 CO 0.62 -0.72 1.19 0.15 0.04 0.00 0.00 177.00 178.28 1ab2 s LYS 103 N -4.01 3.44 0.09 4.56 -0.14 -1.26 -4.98 119.74 117.44 1ab2 s LYS 103 Ca 0.63 0.11 -0.31 0.00 -1.36 0.00 0.00 55.97 55.05 1ab2 s LYS 103 Cb -0.15 -4.05 -0.07 0.00 -1.68 0.00 0.00 37.83 31.88 1ab2 s LYS 103 CO 0.35 -1.76 1.29 -0.98 -0.76 0.00 0.00 175.35 173.49 1ab2 s ARG 104 N 5.02 4.38 0.21 1.68 1.70 -1.26 -5.02 118.95 125.66 1ab2 s ARG 104 Ca 0.40 1.92 0.06 0.00 -0.47 0.00 0.00 55.73 57.64 1ab2 s ARG 104 Cb -0.08 -3.29 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 1ab2 s ARG 104 CO 0.23 -0.33 -0.08 0.20 -1.08 0.00 0.00 175.30 174.23 1ab2 s GLY 105 N 1.02 1.44 -0.45 3.88 0.00 -1.26 -5.09 107.32 106.87 1ab2 s GLY 105 Ca 0.61 -1.69 0.08 0.00 0.00 0.00 0.00 44.72 43.73 1ab2 s GLY 105 CO 0.30 -1.71 0.67 1.39 0.00 0.00 0.00 173.10 173.75 1ab2 n ILE 106 N -0.38 0.42 -4.11 0.90 5.41 -1.26 -4.94 119.36 115.40 1ab2 n ILE 106 Ca -0.07 -4.57 -0.43 0.00 1.00 0.00 0.00 62.75 58.68 1ab2 n ILE 106 Cb 0.62 -1.46 -0.00 0.00 -0.71 0.00 0.00 39.64 38.09 1ab2 n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ab2 n HIS 107 N 0.81 -1.28 -1.53 1.39 1.44 -1.26 -4.64 115.22 110.15 1ab2 n HIS 107 Ca 0.25 0.13 -0.44 0.00 -2.01 0.00 0.00 57.72 55.66 1ab2 n HIS 107 Cb 0.53 -2.64 -0.05 0.00 0.12 0.00 0.00 29.99 27.95 1ab2 n HIS 107 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1ab2 n ARG 108 N -4.85 1.27 0.00 -1.40 5.12 -1.26 -5.34 116.66 110.20 1ab2 n ARG 108 Ca -0.14 0.27 0.14 0.00 -1.93 0.00 0.00 57.85 56.18 1ab2 n ARG 108 Cb 0.56 -2.90 0.48 0.00 -1.16 0.00 0.00 32.46 29.44 1ab2 n ARG 108 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45