#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab2 h SER 2 N 0.00 -0.02 0.00 1.61 0.87 -2.11 -3.42 113.55 110.48 1ab2 h SER 2 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1ab2 h SER 2 Cb 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1ab2 h SER 2 CO 0.00 0.55 -0.04 1.23 -0.53 0.00 0.00 176.83 178.04 1ab2 h GLY 3 N -1.00 0.00 0.00 5.77 0.00 -2.11 -3.45 103.07 102.27 1ab2 h GLY 3 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ab2 h GLY 3 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1ab2 n ASN 4 N -4.35 0.00 -4.19 0.19 6.94 -1.26 -4.22 115.26 108.37 1ab2 n ASN 4 Ca -0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.42 1ab2 n ASN 4 Cb 0.02 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.33 1ab2 n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1ab2 s SER 5 N -3.98 1.40 0.17 0.53 1.04 -1.26 -5.01 113.70 106.59 1ab2 s SER 5 Ca 0.00 -0.91 -0.24 0.00 0.48 0.00 0.00 55.95 55.28 1ab2 s SER 5 Cb 0.00 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.22 1ab2 s SER 5 CO 0.00 -0.34 0.96 -1.48 0.98 0.00 0.00 173.24 173.36 1ab2 s LEU 6 N -2.76 -0.14 -1.17 2.42 2.34 -1.26 -5.04 118.68 113.07 1ab2 s LEU 6 Ca 0.09 -0.49 -0.13 0.00 0.06 0.00 0.00 54.13 53.66 1ab2 s LEU 6 Cb 0.01 2.19 -0.06 0.00 -0.56 0.00 0.00 46.19 47.76 1ab2 s LEU 6 CO -0.01 -0.96 2.28 -0.62 -1.06 0.00 0.00 176.35 175.97 1ab2 n GLU 7 N -0.51 2.48 0.00 1.48 1.02 -1.26 -4.76 120.64 119.08 1ab2 n GLU 7 Ca -0.06 -2.02 0.00 0.00 -0.02 0.00 0.00 57.16 55.07 1ab2 n GLU 7 Cb 0.60 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 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 5.31 0.00 -2.09 3.49 3.00 -1.24 -4.88 118.16 121.75 1ab2 n LYS 8 Ca 0.55 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.77 1ab2 n LYS 8 Cb 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 35.03 35.05 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 -1.87 1.93 5.64 8.25 -1.26 -4.95 115.22 122.96 1ab2 n HIS 9 Ca 0.00 -0.84 0.01 0.00 -0.26 0.00 0.00 57.72 56.63 1ab2 n HIS 9 Cb 0.00 -0.19 0.09 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.30 0.00 0.00 0.41 3.41 -1.26 -2.01 113.62 111.86 1ab2 n SER 10 Ca 0.02 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 1ab2 n SER 10 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.55 0.00 -3.77 7.33 4.27 -1.26 -2.56 117.44 120.91 1ab2 n TRP 11 Ca 0.02 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.28 1ab2 n TRP 11 Cb 0.01 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.85 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 -0.13 3.43 0.00 -2.67 6.14 -0.85 -2.28 117.35 120.99 1ab2 s TYR 12 Ca 0.00 -2.73 0.00 0.00 0.64 0.00 0.00 57.07 54.98 1ab2 s TYR 12 Cb 0.00 -3.15 0.00 0.00 0.42 0.00 0.00 41.96 39.23 1ab2 s TYR 12 CO 0.00 -0.86 0.20 -2.39 0.64 0.00 0.00 175.55 173.14 1ab2 n HIS 13 N 3.67 0.00 0.00 4.97 1.44 -1.26 -3.69 115.22 120.35 1ab2 n HIS 13 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1ab2 n HIS 13 Cb 0.38 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.49 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 0.45 0.59 3.72 -1.39 0.00 -1.26 -5.05 105.19 102.25 1ab2 n GLY 14 Ca 0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.81 4.48 -0.05 1.61 0.04 -1.26 -4.23 135.00 134.76 1ab2 s PRO 15 Ca 0.00 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.81 1ab2 s PRO 15 Cb 0.00 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.19 1ab2 s PRO 15 CO 0.00 -0.17 -0.18 0.54 0.04 0.00 0.00 177.00 177.22 1ab2 s VAL 16 N 0.80 1.55 0.31 -0.36 0.11 -1.26 -4.82 120.40 116.73 1ab2 s VAL 16 Ca 0.56 -0.77 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 1ab2 s VAL 16 Cb -0.29 -1.34 -0.10 0.00 -1.53 0.00 0.00 36.38 33.12 1ab2 s VAL 16 CO 0.30 0.44 1.37 -0.94 -3.33 0.00 0.00 175.10 172.95 1ab2 s SER 17 N 0.13 6.67 0.22 3.54 1.04 -1.26 -4.72 113.70 119.32 1ab2 s SER 17 Ca -0.07 2.73 -0.06 0.00 0.48 0.00 0.00 55.95 59.03 1ab2 s SER 17 Cb -0.13 -2.64 0.19 0.00 0.10 0.00 0.00 66.02 63.53 1ab2 s SER 17 CO 0.03 -0.63 1.69 0.08 0.98 0.00 0.00 173.24 175.39 1ab2 h ARG 18 N 3.86 0.95 0.37 4.02 0.11 -1.99 0.30 114.38 122.00 1ab2 h ARG 18 Ca -0.48 -0.28 -0.02 0.00 0.10 0.00 0.00 59.98 59.30 1ab2 h ARG 18 Cb 1.23 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1ab2 h ARG 18 CO 0.69 0.94 -0.21 -0.91 0.10 0.00 0.00 179.97 180.58 1ab2 h ASN 19 N 0.88 -0.52 -0.52 0.08 2.35 -2.00 -1.60 115.58 114.26 1ab2 h ASN 19 Ca 0.16 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 56.02 1ab2 h ASN 19 Cb 0.51 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1ab2 h ASN 19 CO 0.03 -0.33 0.35 0.00 -1.65 0.00 0.00 177.43 175.82 1ab2 h ALA 20 N -1.64 2.02 0.00 -0.83 0.00 -1.96 -1.21 119.26 115.63 1ab2 h ALA 20 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ab2 h ALA 20 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ab2 h ALA 20 CO 0.06 -0.13 -0.32 0.00 0.00 0.00 0.00 179.25 178.86 1ab2 h ALA 21 N 1.73 -0.77 -0.44 0.00 0.00 0.02 1.94 119.26 121.74 1ab2 h ALA 21 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ab2 h ALA 21 Cb 0.46 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1ab2 h ALA 21 CO -0.06 -0.87 0.28 1.05 0.00 0.00 0.00 179.25 179.65 1ab2 h GLU 22 N -0.41 0.58 0.03 0.00 4.11 -0.83 -0.58 114.58 117.49 1ab2 h GLU 22 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1ab2 h GLU 22 Cb 0.44 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ab2 h GLU 22 CO -0.21 0.40 -0.02 -0.92 0.07 0.00 0.00 179.01 178.33 1ab2 h TYR 23 N 0.60 -0.04 -0.72 2.06 5.03 0.04 -3.28 116.97 120.66 1ab2 h TYR 23 Ca 0.16 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.61 1ab2 h TYR 23 Cb -0.04 0.01 -0.14 0.00 1.55 0.00 0.00 36.73 38.12 1ab2 h TYR 23 CO 0.00 -0.03 -0.23 1.25 -1.32 0.00 0.00 178.16 177.83 1ab2 h LEU 24 N -0.06 -0.85 -7.22 2.82 6.46 0.30 -2.98 115.31 113.78 1ab2 h LEU 24 Ca -0.00 0.23 -0.46 0.00 -0.12 0.00 0.00 57.88 57.52 1ab2 h LEU 24 Cb 0.04 0.51 0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1ab2 h LEU 24 CO 0.01 -0.26 1.46 -0.11 -0.62 0.00 0.00 178.44 178.92 1ab2 n LEU 25 N -5.48 2.81 -4.38 2.25 0.00 -0.23 -4.83 117.00 107.14 1ab2 n LEU 25 Ca 0.09 -2.64 -0.45 0.00 0.00 0.00 0.00 56.01 53.01 1ab2 n LEU 25 Cb 0.38 -1.25 -0.06 0.00 0.00 0.00 0.00 43.42 42.49 1ab2 n LEU 25 CO -0.01 -1.55 0.18 -0.55 0.00 0.00 0.00 177.39 175.46 1ab2 s SER 26 N 6.29 6.18 0.00 1.96 0.15 -1.13 -4.83 113.70 122.32 1ab2 s SER 26 Ca 0.66 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1ab2 s SER 26 Cb 0.08 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1ab2 s SER 26 CO 0.18 -0.83 0.00 -0.24 1.20 0.00 0.00 173.24 173.55 1ab2 n SER 27 N 5.60 0.00 0.00 5.45 2.88 -1.26 -4.83 113.62 121.46 1ab2 n SER 27 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ab2 n SER 27 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1ab2 n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ab2 n GLY 28 N 0.00 0.39 3.67 0.46 0.00 -1.26 -4.42 105.19 104.02 1ab2 n GLY 28 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 1ab2 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ab2 s ILE 29 N 0.00 3.77 -1.93 -0.61 -4.36 -1.26 -4.99 121.20 111.82 1ab2 s ILE 29 Ca 0.00 -1.34 0.26 0.00 -0.26 0.00 0.00 60.65 59.32 1ab2 s ILE 29 Cb 0.00 -2.87 0.71 0.00 1.25 0.00 0.00 42.46 41.55 1ab2 s ILE 29 CO 0.00 -0.06 1.92 0.59 0.24 0.00 0.00 174.94 177.63 1ab2 n ASN 30 N 0.03 0.00 -3.25 4.36 3.02 -1.26 -4.54 115.26 113.61 1ab2 n ASN 30 Ca -0.10 -0.73 0.03 0.00 -0.03 0.00 0.00 54.58 53.75 1ab2 n ASN 30 Cb 0.54 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 1ab2 n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ab2 s GLY 31 N -2.07 -0.72 -0.14 7.41 0.00 -1.26 -4.00 107.32 106.54 1ab2 s GLY 31 Ca 0.38 2.26 -0.18 0.00 0.00 0.00 0.00 44.72 47.18 1ab2 s GLY 31 CO 0.32 3.41 0.48 -0.45 0.00 0.00 0.00 173.10 176.86 1ab2 s SER 32 N 2.84 -0.47 0.24 1.64 0.15 -1.06 -3.46 113.70 113.58 1ab2 s SER 32 Ca 0.09 0.79 0.10 0.00 0.70 0.00 0.00 55.95 57.64 1ab2 s SER 32 Cb -0.13 0.82 -0.05 0.00 -1.71 0.00 0.00 66.02 64.96 1ab2 s SER 32 CO -0.18 -0.27 -0.18 -0.36 1.20 0.00 0.00 173.24 173.45 1ab2 s PHE 33 N -0.18 2.02 -0.22 3.44 0.40 0.30 0.63 117.98 124.36 1ab2 s PHE 33 Ca -0.04 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 1ab2 s PHE 33 Cb -0.03 -0.91 0.07 0.00 0.51 0.00 0.00 43.02 42.66 1ab2 s PHE 33 CO 0.02 0.53 0.54 -0.48 0.70 0.00 0.00 175.22 176.54 1ab2 s LEU 34 N -3.32 -0.51 0.21 -0.37 2.34 0.64 -1.81 118.68 115.85 1ab2 s LEU 34 Ca 0.25 1.20 -0.16 0.00 0.06 0.00 0.00 54.13 55.48 1ab2 s LEU 34 Cb -0.03 1.85 -0.08 0.00 -0.56 0.00 0.00 46.19 47.37 1ab2 s LEU 34 CO 0.11 -0.22 0.63 -0.69 -1.06 0.00 0.00 176.35 175.12 1ab2 s VAL 35 N 1.54 4.74 0.26 1.48 1.01 -0.96 0.21 120.40 128.68 1ab2 s VAL 35 Ca -0.10 0.95 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1ab2 s VAL 35 Cb -0.07 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1ab2 s VAL 35 CO -0.16 0.13 0.07 -2.11 0.00 0.00 0.00 175.10 173.03 1ab2 n ARG 36 N 0.50 0.82 -3.77 2.72 1.85 -0.47 -4.65 116.66 113.67 1ab2 n ARG 36 Ca -0.02 -2.10 -0.13 0.00 -1.00 0.00 0.00 57.85 54.59 1ab2 n ARG 36 Cb 0.52 1.04 -0.14 0.00 -1.05 0.00 0.00 32.46 32.82 1ab2 n ARG 36 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1ab2 s GLU 37 N -2.96 0.12 0.92 2.89 2.12 -1.26 -1.52 118.70 119.00 1ab2 s GLU 37 Ca 0.10 0.34 -0.13 0.00 0.36 0.00 0.00 54.97 55.64 1ab2 s GLU 37 Cb 0.01 -0.11 0.15 0.00 0.26 0.00 0.00 34.13 34.43 1ab2 s GLU 37 CO 0.07 -0.13 1.16 0.45 -0.54 0.00 0.00 175.26 176.27 1ab2 s SER 38 N 0.91 3.41 0.22 -1.70 0.15 -1.07 -4.56 113.70 111.05 1ab2 s SER 38 Ca -0.07 0.87 0.07 0.00 0.70 0.00 0.00 55.95 57.52 1ab2 s SER 38 Cb -0.09 -1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 1ab2 s SER 38 CO -0.05 -2.60 0.11 -0.70 1.20 0.00 0.00 173.24 171.20 1ab2 s GLU 39 N -5.37 2.71 -1.59 5.44 2.56 -1.26 -4.58 118.70 116.61 1ab2 s GLU 39 Ca 0.65 -1.08 -0.04 0.00 0.00 0.00 0.00 54.97 54.49 1ab2 s GLU 39 Cb -0.13 -2.47 0.04 0.00 2.00 0.00 0.00 34.13 33.57 1ab2 s GLU 39 CO 0.53 0.43 0.19 -1.13 -0.56 0.00 0.00 175.26 174.71 1ab2 n SER 40 N -0.71 0.17 -4.51 -1.70 3.41 -1.26 -4.93 113.62 104.09 1ab2 n SER 40 Ca -0.08 -1.22 -0.25 0.00 -0.26 0.00 0.00 58.87 57.06 1ab2 n SER 40 Cb 0.57 -1.86 -0.10 0.00 -0.26 0.00 0.00 64.21 62.56 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 -4.17 3.85 0.00 4.04 1.04 -1.26 -5.00 113.70 112.20 1ab2 s SER 41 Ca 0.16 -0.86 0.20 0.00 0.48 0.00 0.00 55.95 55.93 1ab2 s SER 41 Cb -0.09 -0.46 1.20 0.00 0.10 0.00 0.00 66.02 66.77 1ab2 s SER 41 CO 0.98 0.05 1.63 -0.81 0.98 0.00 0.00 173.24 176.08 1ab2 n PRO 42 N -0.45 0.75 0.00 4.02 -0.04 -1.26 -4.66 135.00 133.36 1ab2 n PRO 42 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ab2 n PRO 42 Cb 0.59 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.46 0.74 3.79 0.55 0.00 -1.26 -5.12 105.19 104.34 1ab2 n GLY 43 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 3.10 0.22 1.61 -0.21 -1.26 -5.09 119.66 118.03 1ab2 s GLN 44 Ca 0.00 -0.46 0.09 0.00 0.02 0.00 0.00 55.36 55.01 1ab2 s GLN 44 Cb 0.00 -2.89 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 1ab2 s GLN 44 CO 0.00 0.66 -0.16 1.03 -2.12 0.00 0.00 175.29 174.70 1ab2 s ARG 45 N -1.69 1.39 0.47 2.91 3.00 -1.26 -2.61 118.95 121.17 1ab2 s ARG 45 Ca 0.22 -1.61 0.04 0.00 0.00 0.00 0.00 55.73 54.38 1ab2 s ARG 45 Cb -0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 34.95 33.55 1ab2 s ARG 45 CO 0.13 0.22 0.06 -1.54 0.00 0.00 0.00 175.30 174.17 1ab2 s SER 46 N -3.31 4.14 -0.03 0.23 1.04 -0.58 -2.67 113.70 112.52 1ab2 s SER 46 Ca 0.23 -1.47 0.01 0.00 0.48 0.00 0.00 55.95 55.21 1ab2 s SER 46 Cb -0.02 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1ab2 s SER 46 CO 0.08 -0.73 -0.05 -0.63 0.98 0.00 0.00 173.24 172.89 1ab2 s ILE 47 N -2.79 0.56 -0.33 -1.02 -1.09 -0.48 -1.37 121.20 114.68 1ab2 s ILE 47 Ca 0.21 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.48 1ab2 s ILE 47 Cb 0.04 -0.55 0.10 0.00 -1.58 0.00 0.00 42.46 40.46 1ab2 s ILE 47 CO 0.11 0.21 0.04 -0.44 -1.23 0.00 0.00 174.94 173.63 1ab2 s SER 48 N 0.61 4.75 0.18 3.58 0.01 0.58 -2.36 113.70 121.06 1ab2 s SER 48 Ca -0.08 -2.10 0.05 0.00 1.31 0.00 0.00 55.95 55.13 1ab2 s SER 48 Cb -0.12 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 1ab2 s SER 48 CO 0.00 -0.37 0.21 -0.22 0.41 0.00 0.00 173.24 173.28 1ab2 s LEU 49 N 0.92 4.01 -0.01 2.44 2.96 -0.70 0.23 118.68 128.54 1ab2 s LEU 49 Ca 0.09 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1ab2 s LEU 49 Cb -0.19 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1ab2 s LEU 49 CO -0.08 0.03 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.35 1ab2 s ARG 50 N -3.37 0.37 0.00 1.98 3.00 0.20 0.13 118.95 121.26 1ab2 s ARG 50 Ca 0.33 -0.11 0.00 0.00 -1.00 0.00 0.00 55.73 54.95 1ab2 s ARG 50 Cb -0.10 -0.39 0.00 0.00 0.00 0.00 0.00 34.95 34.47 1ab2 s ARG 50 CO 0.26 0.04 0.00 0.98 0.00 0.00 0.00 175.30 176.58 1ab2 n TYR 51 N 3.24 0.00 -0.70 5.12 9.36 0.10 -2.56 117.16 131.72 1ab2 n TYR 51 Ca -0.16 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 60.94 1ab2 n TYR 51 Cb 0.57 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.19 1ab2 n TYR 51 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ab2 n GLU 52 N 0.00 1.59 0.00 2.98 1.02 -1.26 -4.26 120.64 120.72 1ab2 n GLU 52 Ca 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 1ab2 n GLU 52 Cb 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ab2 n GLY 53 N 2.95 3.07 3.79 0.62 0.00 -1.26 -5.04 105.19 109.32 1ab2 n GLY 53 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.23 4.13 -0.18 1.61 1.70 -1.26 -4.96 118.95 119.76 1ab2 s ARG 54 Ca 0.00 1.43 0.01 0.00 -0.47 0.00 0.00 55.73 56.69 1ab2 s ARG 54 Cb 0.00 -2.44 0.02 0.00 -0.57 0.00 0.00 34.95 31.96 1ab2 s ARG 54 CO 0.00 -0.15 -0.19 0.08 -1.08 0.00 0.00 175.30 173.96 1ab2 s VAL 55 N -1.77 2.14 -0.11 4.99 1.01 -1.26 0.02 120.40 125.42 1ab2 s VAL 55 Ca 0.59 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 1ab2 s VAL 55 Cb -0.19 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1ab2 s VAL 55 CO 0.24 0.53 0.51 -0.31 0.00 0.00 0.00 175.10 176.07 1ab2 s TYR 56 N 1.30 3.53 -0.52 5.22 2.02 0.12 -4.94 117.35 124.07 1ab2 s TYR 56 Ca 0.05 0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 57.68 1ab2 s TYR 56 Cb -0.13 -2.59 0.14 0.00 -0.40 0.00 0.00 41.96 38.98 1ab2 s TYR 56 CO -0.12 0.17 0.33 -1.01 -1.57 0.00 0.00 175.55 173.34 1ab2 s HIS 57 N 0.60 3.48 -0.07 2.71 3.76 -1.26 -1.72 115.29 122.79 1ab2 s HIS 57 Ca 0.28 -2.61 0.01 0.00 -0.15 0.00 0.00 55.06 52.59 1ab2 s HIS 57 Cb -0.16 -3.19 0.02 0.00 1.11 0.00 0.00 32.58 30.36 1ab2 s HIS 57 CO 0.12 -0.90 -0.08 0.71 -0.85 0.00 0.00 174.74 173.74 1ab2 s TYR 58 N 0.46 1.19 0.59 1.40 2.02 -1.00 -5.00 117.35 117.01 1ab2 s TYR 58 Ca 0.13 -0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 56.22 1ab2 s TYR 58 Cb -0.22 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1ab2 s TYR 58 CO -0.04 -0.31 1.06 -0.98 -1.57 0.00 0.00 175.55 173.71 1ab2 s ARG 59 N 1.10 3.32 0.17 -0.62 1.70 -1.26 -1.38 118.95 121.98 1ab2 s ARG 59 Ca -0.07 1.19 0.20 0.00 -0.47 0.00 0.00 55.73 56.58 1ab2 s ARG 59 Cb -0.14 -2.03 0.84 0.00 -0.57 0.00 0.00 34.95 33.05 1ab2 s ARG 59 CO -0.01 -0.81 1.61 -0.89 -1.08 0.00 0.00 175.30 174.12 1ab2 n ILE 60 N -2.05 0.93 -1.64 4.99 5.41 -1.09 -4.82 119.36 121.09 1ab2 n ILE 60 Ca 0.09 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.11 1ab2 n ILE 60 Cb 0.53 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 1ab2 n ILE 60 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1ab2 n ASN 61 N -1.98 -8.64 -4.42 4.38 5.15 -1.26 -3.05 115.26 105.44 1ab2 n ASN 61 Ca 0.02 1.72 -0.24 0.00 -0.60 0.00 0.00 54.58 55.48 1ab2 n ASN 61 Cb 0.19 -5.19 -0.11 0.00 -0.53 0.00 0.00 39.78 34.15 1ab2 n ASN 61 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ab2 s THR 62 N -4.88 2.27 -0.26 -0.44 2.01 -1.26 -1.65 115.64 111.43 1ab2 s THR 62 Ca 0.00 -2.20 -0.03 0.00 0.31 0.00 0.00 61.69 59.77 1ab2 s THR 62 Cb 0.00 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1ab2 s THR 62 CO 0.00 -0.32 2.61 0.00 -0.69 0.00 0.00 174.62 176.22 1ab2 n ALA 63 N -0.19 5.71 -2.79 7.40 0.00 0.16 -4.75 120.51 126.06 1ab2 n ALA 63 Ca -0.09 -1.98 -0.12 0.00 0.00 0.00 0.00 53.44 51.26 1ab2 n ALA 63 Cb 0.58 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 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 1.12 -1.06 0.07 0.00 3.41 -1.26 -4.28 113.62 111.62 1ab2 n SER 64 Ca 0.36 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1ab2 n SER 64 Cb 0.63 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1ab2 n SER 64 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ab2 n ASP 65 N -1.48 -0.65 0.00 4.04 8.00 -1.26 -5.09 116.55 120.11 1ab2 n ASP 65 Ca 0.03 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1ab2 n ASP 65 Cb 0.41 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ab2 n GLY 66 N 0.40 -1.53 3.42 0.44 0.00 -1.26 -5.14 105.19 101.53 1ab2 n GLY 66 Ca 0.00 0.55 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ab2 n LYS 67 N 0.00 0.43 -3.60 1.61 0.00 -1.26 -4.56 118.16 110.78 1ab2 n LYS 67 Ca 0.00 0.16 -0.40 0.00 -0.00 0.00 0.00 58.31 58.07 1ab2 n LYS 67 Cb 0.00 -1.35 -0.11 0.00 -0.00 0.00 0.00 35.03 33.57 1ab2 n LYS 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ab2 s LEU 68 N 2.38 4.36 -0.09 -5.58 1.02 0.55 -0.66 118.68 120.66 1ab2 s LEU 68 Ca 0.62 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 54.18 1ab2 s LEU 68 Cb -0.67 -2.05 0.02 0.00 0.02 0.00 0.00 46.19 43.51 1ab2 s LEU 68 CO 0.59 -0.25 -0.08 -0.72 0.02 0.00 0.00 176.35 175.91 1ab2 s TYR 69 N 1.63 1.38 -0.18 0.29 -0.85 -0.66 0.19 117.35 119.15 1ab2 s TYR 69 Ca 0.05 -0.62 0.18 0.00 -0.52 0.00 0.00 57.07 56.15 1ab2 s TYR 69 Cb -0.18 -1.13 -0.00 0.00 0.38 0.00 0.00 41.96 41.04 1ab2 s TYR 69 CO 0.08 -0.42 1.14 0.28 -1.52 0.00 0.00 175.55 175.11 1ab2 h VAL 70 N 6.12 0.50 0.00 -3.49 2.07 -1.75 -3.40 116.25 116.30 1ab2 h VAL 70 Ca -0.30 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1ab2 h VAL 70 Cb 1.15 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1ab2 h VAL 70 CO 0.42 0.28 0.00 -0.24 0.02 0.00 0.00 177.57 178.06 1ab2 n SER 71 N -2.99 0.00 0.00 0.57 2.88 -1.23 -4.73 113.62 108.12 1ab2 n SER 71 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1ab2 n SER 71 Cb 0.73 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.32 0.00 -0.41 -3.46 3.41 -1.26 -4.91 113.62 104.67 1ab2 n SER 72 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1ab2 n SER 72 Cb 0.00 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.50 1ab2 n SER 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ab2 n GLU 73 N 0.00 1.50 -2.49 4.33 2.13 -1.26 -3.96 120.64 120.89 1ab2 n GLU 73 Ca 0.00 -0.82 -0.25 0.00 0.66 0.00 0.00 57.16 56.75 1ab2 n GLU 73 Cb 0.00 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1ab2 n GLU 73 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ab2 n SER 74 N -0.04 4.34 -4.80 4.31 7.64 -1.26 -5.07 113.62 118.75 1ab2 n SER 74 Ca 0.19 -3.60 -0.33 0.00 1.01 0.00 0.00 58.87 56.13 1ab2 n SER 74 Cb 0.33 -0.47 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1ab2 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ab2 s ARG 75 N -3.49 3.45 -0.02 1.43 1.70 -1.25 -4.45 118.95 116.31 1ab2 s ARG 75 Ca 0.46 1.32 0.00 0.00 -0.47 0.00 0.00 55.73 57.04 1ab2 s ARG 75 Cb 0.41 -2.04 0.03 0.00 -0.57 0.00 0.00 34.95 32.77 1ab2 s ARG 75 CO -0.16 -0.72 0.03 -0.06 -1.08 0.00 0.00 175.30 173.31 1ab2 s PHE 76 N -2.20 0.07 0.21 5.89 0.40 0.50 -4.90 117.98 117.94 1ab2 s PHE 76 Ca 0.66 0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 57.05 1ab2 s PHE 76 Cb -0.17 -0.26 0.16 0.00 0.51 0.00 0.00 43.02 43.26 1ab2 s PHE 76 CO 0.30 -0.09 1.63 -0.91 0.70 0.00 0.00 175.22 176.85 1ab2 h ASN 77 N 7.27 0.86 -3.34 1.36 2.35 -1.92 1.61 115.58 123.76 1ab2 h ASN 77 Ca -0.45 -0.29 -0.66 0.00 -0.55 0.00 0.00 56.30 54.35 1ab2 h ASN 77 Cb 1.12 -0.23 -0.27 0.00 0.05 0.00 0.00 38.32 38.99 1ab2 h ASN 77 CO 0.48 1.02 -0.74 0.42 -1.65 0.00 0.00 177.43 176.96 1ab2 s THR 78 N -4.70 3.22 0.24 2.81 -4.23 -1.26 -4.58 115.64 107.14 1ab2 s THR 78 Ca -0.10 -0.57 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 1ab2 s THR 78 Cb 0.13 -2.42 0.32 0.00 1.34 0.00 0.00 72.50 71.87 1ab2 s THR 78 CO 0.84 0.47 1.60 0.17 -0.54 0.00 0.00 174.62 177.16 1ab2 h LEU 79 N 7.49 -0.75 -0.64 4.79 -0.00 -1.94 0.39 115.31 124.65 1ab2 h LEU 79 Ca -0.35 0.23 0.12 0.00 -0.00 0.00 0.00 57.88 57.87 1ab2 h LEU 79 Cb 1.18 0.49 -0.12 0.00 -0.00 0.00 0.00 40.66 42.21 1ab2 h LEU 79 CO 0.59 -0.26 -0.30 0.00 -0.00 0.00 0.00 178.44 178.47 1ab2 h ALA 80 N 1.75 0.08 -0.89 0.17 0.00 -1.97 1.09 119.26 119.50 1ab2 h ALA 80 Ca 0.37 0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.67 1ab2 h ALA 80 Cb 0.57 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1ab2 h ALA 80 CO -0.80 -0.61 0.59 1.49 0.00 0.00 0.00 179.25 179.92 1ab2 h GLU 81 N -0.12 0.39 0.58 0.00 4.81 -0.66 0.21 114.58 119.78 1ab2 h GLU 81 Ca 0.26 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1ab2 h GLU 81 Cb 0.55 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ab2 h GLU 81 CO -0.71 0.26 -0.28 1.25 -0.73 0.00 0.00 179.01 178.80 1ab2 h LEU 82 N 0.40 -0.66 -1.84 1.64 6.46 0.18 -2.23 115.31 119.26 1ab2 h LEU 82 Ca 0.46 -0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.39 1ab2 h LEU 82 Cb 1.15 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 41.21 1ab2 h LEU 82 CO -0.17 -0.28 0.53 0.58 -0.62 0.00 0.00 178.44 178.48 1ab2 h VAL 83 N -1.10 0.67 -0.10 1.05 2.07 0.08 0.64 116.25 119.57 1ab2 h VAL 83 Ca -0.08 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1ab2 h VAL 83 Cb 0.65 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1ab2 h VAL 83 CO 0.13 0.03 0.05 0.45 0.02 0.00 0.00 177.57 178.25 1ab2 h HIS 84 N 0.15 0.13 -0.10 1.57 3.86 -0.39 0.23 115.15 120.60 1ab2 h HIS 84 Ca 0.37 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.51 1ab2 h HIS 84 Cb 1.25 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1ab2 h HIS 84 CO -0.00 0.16 -0.21 1.25 0.86 0.00 0.00 177.93 179.99 1ab2 h HIS 85 N 0.06 0.40 0.00 2.45 6.17 -0.12 -2.61 115.15 121.50 1ab2 h HIS 85 Ca 0.03 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 60.96 1ab2 h HIS 85 Cb 0.08 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 29.93 1ab2 h HIS 85 CO -0.04 0.82 0.00 0.72 0.71 0.00 0.00 177.93 180.14 1ab2 n HIS 86 N -4.52 0.00 0.02 5.26 8.25 0.19 0.49 115.22 124.92 1ab2 n HIS 86 Ca -0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.22 1ab2 n HIS 86 Cb 0.42 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 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 0.83 0.00 0.41 4.64 -0.12 -3.17 113.55 116.14 1ab2 h SER 87 Ca 0.00 -0.60 -0.09 0.00 -0.47 0.00 0.00 61.79 60.63 1ab2 h SER 87 Cb 0.03 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1ab2 h SER 87 CO 0.00 1.39 -1.32 0.35 -0.87 0.00 0.00 176.83 176.38 1ab2 n THR 88 N -3.87 0.32 -3.69 2.95 -2.24 -0.79 -4.44 114.28 102.53 1ab2 n THR 88 Ca -0.08 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 1ab2 n THR 88 Cb 0.80 -0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.11 1.55 -0.97 2.28 1.01 0.18 -5.02 120.40 117.31 1ab2 s VAL 89 Ca -0.03 -3.01 -0.20 0.00 0.00 0.00 0.00 61.98 58.74 1ab2 s VAL 89 Cb 0.01 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.24 1ab2 s VAL 89 CO 0.19 -1.00 1.98 0.00 0.00 0.00 0.00 175.10 176.27 1ab2 n ALA 90 N 2.99 3.61 -0.65 5.51 0.00 -1.24 -3.51 120.51 127.22 1ab2 n ALA 90 Ca 0.16 -3.42 -0.05 0.00 0.00 0.00 0.00 53.44 50.13 1ab2 n ALA 90 Cb 0.38 -3.60 -0.07 0.00 0.00 0.00 0.00 19.45 16.16 1ab2 n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab2 n ASP 91 N 7.96 4.84 0.01 0.00 8.00 -1.26 -3.96 116.55 132.13 1ab2 n ASP 91 Ca 0.50 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1ab2 n ASP 91 Cb 0.41 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ab2 n GLY 92 N 1.98 -1.78 3.76 0.44 0.00 -1.26 -3.53 105.19 104.79 1ab2 n GLY 92 Ca 0.17 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.72 4.48 0.00 0.99 1.43 -1.25 -4.95 118.68 114.66 1ab2 s LEU 93 Ca 0.00 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1ab2 s LEU 93 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1ab2 s LEU 93 CO 0.00 -0.35 0.38 0.00 0.23 0.00 0.00 176.35 176.60 1ab2 n ILE 94 N 1.38 0.00 -1.77 -0.59 3.06 -1.26 -4.68 119.36 115.49 1ab2 n ILE 94 Ca 0.01 0.88 -0.30 0.00 -2.50 0.00 0.00 62.75 60.84 1ab2 n ILE 94 Cb 0.43 -1.51 0.17 0.00 0.54 0.00 0.00 39.64 39.27 1ab2 n ILE 94 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1ab2 s THR 95 N -0.76 1.95 -0.16 9.51 2.01 -1.26 -4.92 115.64 122.02 1ab2 s THR 95 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1ab2 s THR 95 Cb 0.00 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1ab2 s THR 95 CO 0.00 0.00 0.00 0.42 -0.69 0.00 0.00 174.62 174.35 1ab2 s THR 96 N -3.65 4.24 0.36 -0.82 -4.23 -1.26 -4.84 115.64 105.45 1ab2 s THR 96 Ca 0.70 -0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.75 1ab2 s THR 96 Cb -0.07 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 70.74 1ab2 s THR 96 CO 0.53 0.50 0.21 0.18 -0.54 0.00 0.00 174.62 175.49 1ab2 n LEU 97 N 3.36 -2.35 0.00 4.79 4.32 -1.20 -4.91 117.00 121.01 1ab2 n LEU 97 Ca -0.17 0.89 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 1ab2 n LEU 97 Cb 0.52 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1ab2 n LEU 97 CO 0.33 -3.86 0.00 1.57 -1.22 0.00 0.00 177.39 174.21 1ab2 n HIS 98 N -0.79 0.00 -3.79 -1.77 -0.00 -1.26 -4.84 115.22 102.78 1ab2 n HIS 98 Ca 0.13 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.94 1ab2 n HIS 98 Cb 0.37 0.07 -0.12 0.00 -0.12 0.00 0.00 29.99 30.18 1ab2 n HIS 98 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1ab2 s TYR 99 N -0.16 3.47 -1.21 1.57 1.51 -1.22 -4.97 117.35 116.34 1ab2 s TYR 99 Ca 0.00 -2.15 -0.20 0.00 -1.01 0.00 0.00 57.07 53.71 1ab2 s TYR 99 Cb 0.00 -2.88 -0.02 0.00 -0.11 0.00 0.00 41.96 38.95 1ab2 s TYR 99 CO 0.00 -0.91 1.89 -0.35 -1.11 0.00 0.00 175.55 175.07 1ab2 n PRO 100 N 4.64 2.36 -1.60 -1.71 -0.04 -1.26 -0.54 135.00 136.86 1ab2 n PRO 100 Ca -0.06 -2.73 -0.61 0.00 -0.04 0.00 0.00 63.50 60.05 1ab2 n PRO 100 Cb 0.42 -3.49 -0.09 0.00 -0.04 0.00 0.00 33.50 30.30 1ab2 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ab2 n ALA 101 N 10.26 -0.41 -1.00 0.55 0.00 -0.75 -4.10 120.51 125.06 1ab2 n ALA 101 Ca 0.48 0.34 0.00 0.00 0.00 0.00 0.00 53.44 54.26 1ab2 n ALA 101 Cb 0.45 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1ab2 n ALA 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ab2 n PRO 102 N 5.61 0.48 -3.84 0.00 -0.04 -1.06 -4.64 135.00 131.52 1ab2 n PRO 102 Ca 0.36 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.46 1ab2 n PRO 102 Cb 0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.37 1ab2 n PRO 102 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ab2 s LYS 103 N -1.04 3.75 -0.78 0.54 -2.85 -1.26 -5.03 119.74 113.08 1ab2 s LYS 103 Ca 0.00 -0.44 -0.15 0.00 -1.00 0.00 0.00 55.97 54.38 1ab2 s LYS 103 Cb 0.00 -3.30 0.20 0.00 -2.06 0.00 0.00 37.83 32.66 1ab2 s LYS 103 CO 0.00 -0.06 0.74 1.03 0.10 0.00 0.00 175.35 177.16 1ab2 s ARG 104 N 1.28 3.48 -0.02 1.78 0.52 -1.26 -5.04 118.95 119.69 1ab2 s ARG 104 Ca 0.05 -2.27 -0.29 0.00 -0.52 0.00 0.00 55.73 52.71 1ab2 s ARG 104 Cb -0.15 -4.43 -0.03 0.00 0.52 0.00 0.00 34.95 30.87 1ab2 s ARG 104 CO 0.04 -1.33 0.92 0.20 0.02 0.00 0.00 175.30 175.15 1ab2 s GLY 105 N 2.52 2.80 -0.12 -3.53 0.00 -1.26 -4.94 107.32 102.79 1ab2 s GLY 105 Ca 0.16 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.20 1ab2 s GLY 105 CO -0.06 1.60 -0.24 1.39 0.00 0.00 0.00 173.10 175.78 1ab2 n ILE 106 N 3.94 1.33 -1.85 0.90 5.41 -1.26 -4.95 119.36 122.88 1ab2 n ILE 106 Ca 0.05 0.11 -0.08 0.00 1.00 0.00 0.00 62.75 63.83 1ab2 n ILE 106 Cb 0.51 -2.03 -0.02 0.00 -0.71 0.00 0.00 39.64 37.39 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 -4.09 -1.14 0.00 1.39 1.44 -1.26 -4.46 115.22 107.10 1ab2 n HIS 107 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1ab2 n HIS 107 Cb 0.46 -1.99 0.00 0.00 0.12 0.00 0.00 29.99 28.58 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 -2.10 0.00 -0.08 -1.40 3.00 -1.26 -5.37 116.66 109.46 1ab2 n ARG 108 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.76 1ab2 n ARG 108 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16