#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab2 s SER 2 N 0.00 0.13 0.20 1.61 0.01 -1.26 -5.06 113.70 109.33 1ab2 s SER 2 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1ab2 s SER 2 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1ab2 s SER 2 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ab2 n GLY 3 N 2.05 -0.20 2.82 3.44 0.00 -1.26 -5.12 105.19 106.92 1ab2 n GLY 3 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 1ab2 n GLY 3 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ab2 n ASN 4 N -3.41 -5.43 -4.49 1.61 5.15 -1.26 -4.93 115.26 102.50 1ab2 n ASN 4 Ca 0.00 1.17 -0.29 0.00 -0.60 0.00 0.00 54.58 54.86 1ab2 n ASN 4 Cb 0.02 -4.17 0.25 0.00 -0.53 0.00 0.00 39.78 35.36 1ab2 n ASN 4 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ab2 s SER 5 N -1.02 1.00 -0.43 1.20 1.04 -1.26 -5.02 113.70 109.21 1ab2 s SER 5 Ca -0.09 1.63 0.03 0.00 0.48 0.00 0.00 55.95 58.00 1ab2 s SER 5 Cb 0.01 -2.37 0.25 0.00 0.10 0.00 0.00 66.02 64.00 1ab2 s SER 5 CO 0.55 -4.21 1.01 0.18 0.98 0.00 0.00 173.24 171.75 1ab2 n LEU 6 N -4.93 -2.32 -2.97 2.42 4.77 -1.22 -5.03 117.00 107.72 1ab2 n LEU 6 Ca 0.04 -2.66 -0.26 0.00 -0.03 0.00 0.00 56.01 53.10 1ab2 n LEU 6 Cb 0.54 0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 42.30 1ab2 n LEU 6 CO 0.56 1.82 2.54 -0.62 -1.33 0.00 0.00 177.39 180.36 1ab2 n GLU 7 N 1.72 2.59 0.00 3.23 1.02 -1.26 -4.33 120.64 123.61 1ab2 n GLU 7 Ca 0.07 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 1ab2 n GLU 7 Cb 0.65 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 3.58 0.00 -1.68 3.49 0.00 -1.22 -4.82 118.16 117.50 1ab2 n LYS 8 Ca 0.55 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.57 1ab2 n LYS 8 Cb 0.31 -0.14 0.14 0.00 0.00 0.00 0.00 35.03 35.35 1ab2 n LYS 8 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1ab2 s HIS 9 N 0.00 2.24 -0.03 5.64 3.76 -1.26 -4.90 115.29 120.74 1ab2 s HIS 9 Ca 0.00 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 55.58 1ab2 s HIS 9 Cb 0.00 -3.59 0.04 0.00 1.11 0.00 0.00 32.58 30.14 1ab2 s HIS 9 CO 0.00 -2.41 1.05 0.45 -0.85 0.00 0.00 174.74 172.98 1ab2 n SER 10 N -3.73 3.03 0.00 1.40 2.88 -1.26 -2.13 113.62 113.81 1ab2 n SER 10 Ca 0.09 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1ab2 n SER 10 Cb 0.60 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1ab2 n SER 10 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1ab2 n TRP 11 N 0.41 0.00 -4.02 0.66 4.27 -1.26 -0.03 117.44 117.47 1ab2 n TRP 11 Ca 0.03 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.31 1ab2 n TRP 11 Cb 0.56 0.04 -0.15 0.00 -1.36 0.00 0.00 31.31 30.40 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 0.00 3.09 -0.01 -2.67 5.04 -0.90 -4.78 117.35 117.12 1ab2 s TYR 12 Ca 0.00 -1.84 -0.07 0.00 -2.44 0.00 0.00 57.07 52.72 1ab2 s TYR 12 Cb 0.00 -2.00 -0.02 0.00 0.35 0.00 0.00 41.96 40.29 1ab2 s TYR 12 CO 0.00 -0.80 -0.14 -2.39 -1.34 0.00 0.00 175.55 170.88 1ab2 n HIS 13 N 4.58 0.00 -3.07 4.97 -0.00 -1.26 -3.43 115.22 117.01 1ab2 n HIS 13 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1ab2 n HIS 13 Cb 0.46 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.25 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ab2 n GLY 14 N 2.66 1.48 3.70 -1.39 0.00 -1.26 -3.40 105.19 106.98 1ab2 n GLY 14 Ca -0.06 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.70 4.38 -0.07 1.61 0.04 -1.26 -4.80 135.00 134.19 1ab2 s PRO 15 Ca 0.00 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.76 1ab2 s PRO 15 Cb 0.00 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1ab2 s PRO 15 CO 0.00 -0.38 -0.12 0.08 0.04 0.00 0.00 177.00 176.62 1ab2 s VAL 16 N 1.86 1.14 0.56 -0.36 1.01 -1.24 -4.99 120.40 118.38 1ab2 s VAL 16 Ca 0.57 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1ab2 s VAL 16 Cb -0.26 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1ab2 s VAL 16 CO 0.24 0.36 1.03 -0.94 0.00 0.00 0.00 175.10 175.79 1ab2 s SER 17 N 0.75 6.09 0.06 3.32 1.04 -1.26 -4.51 113.70 119.18 1ab2 s SER 17 Ca -0.13 1.75 -0.27 0.00 0.48 0.00 0.00 55.95 57.78 1ab2 s SER 17 Cb -0.16 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.27 1ab2 s SER 17 CO 0.03 -0.96 1.59 -0.09 0.98 0.00 0.00 173.24 174.79 1ab2 h ARG 18 N 0.68 -0.39 -0.54 4.02 2.43 -1.97 0.61 114.38 119.22 1ab2 h ARG 18 Ca -0.47 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.82 1ab2 h ARG 18 Cb 1.21 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.74 1ab2 h ARG 18 CO 0.59 -0.20 -0.35 -2.95 -1.51 0.00 0.00 179.97 175.54 1ab2 h ASN 19 N -0.48 -1.21 -0.41 -3.80 7.08 -2.00 0.15 115.58 114.90 1ab2 h ASN 19 Ca -0.04 0.22 -0.02 0.00 -3.08 0.00 0.00 56.30 53.38 1ab2 h ASN 19 Cb 0.36 0.58 -0.02 0.00 -2.08 0.00 0.00 38.32 37.16 1ab2 h ASN 19 CO 0.07 -0.32 0.18 0.00 -2.08 0.00 0.00 177.43 175.28 1ab2 h ALA 20 N 0.86 0.53 -0.88 4.14 0.00 -1.92 -2.74 119.26 119.25 1ab2 h ALA 20 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ab2 h ALA 20 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ab2 h ALA 20 CO -0.64 0.12 0.00 0.00 0.00 0.00 0.00 179.25 178.72 1ab2 n ALA 21 N -2.29 -0.04 -0.38 0.00 0.00 0.21 0.38 120.51 118.39 1ab2 n ALA 21 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1ab2 n ALA 21 Cb 0.13 0.38 0.57 0.00 0.00 0.00 0.00 19.45 20.53 1ab2 n ALA 21 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ab2 h GLU 22 N 0.00 0.16 0.00 0.00 4.11 -1.13 1.46 114.58 119.18 1ab2 h GLU 22 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1ab2 h GLU 22 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ab2 h GLU 22 CO 0.00 0.11 0.00 0.98 0.07 0.00 0.00 179.01 180.17 1ab2 n TYR 23 N -4.90 0.00 -0.29 2.06 4.19 0.16 -4.01 117.16 114.36 1ab2 n TYR 23 Ca 0.35 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.66 1ab2 n TYR 23 Cb 1.23 -0.39 0.24 0.00 0.49 0.00 0.00 39.34 40.90 1ab2 n TYR 23 CO 0.00 0.00 0.00 1.37 0.91 0.00 0.00 176.86 179.14 1ab2 h LEU 24 N 0.00 -0.27 -8.09 2.98 8.10 0.75 -3.29 115.31 115.49 1ab2 h LEU 24 Ca 0.00 0.22 -0.01 0.00 0.11 0.00 0.00 57.88 58.20 1ab2 h LEU 24 Cb 0.00 0.36 -0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1ab2 h LEU 24 CO 0.00 -0.22 0.31 -0.11 -4.11 0.00 0.00 178.44 174.31 1ab2 n LEU 25 N -5.35 0.49 -4.40 0.17 0.00 0.50 -4.76 117.00 103.65 1ab2 n LEU 25 Ca 0.19 -2.06 -0.43 0.00 0.00 0.00 0.00 56.01 53.71 1ab2 n LEU 25 Cb 0.62 -1.42 0.00 0.00 0.00 0.00 0.00 43.42 42.62 1ab2 n LEU 25 CO 0.02 -3.02 1.77 -0.24 0.00 0.00 0.00 177.39 175.92 1ab2 n SER 26 N 15.78 5.01 0.00 1.96 2.88 -1.24 -4.83 113.62 133.18 1ab2 n SER 26 Ca 0.33 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1ab2 n SER 26 Cb 0.46 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ab2 n SER 27 N 6.55 0.00 0.00 -3.46 2.88 -1.26 -4.88 113.62 113.44 1ab2 n SER 27 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 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 1.51 3.57 0.46 0.00 -1.26 -4.85 105.19 104.62 1ab2 n GLY 28 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 1.15 -0.61 -5.35 -1.26 -4.98 119.36 108.31 1ab2 n ILE 29 Ca 0.00 -2.01 0.10 0.00 -0.27 0.00 0.00 62.75 60.58 1ab2 n ILE 29 Cb 0.00 -0.12 0.58 0.00 -1.74 0.00 0.00 39.64 38.36 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 -1.91 0.00 -3.15 7.28 0.23 -1.26 -4.50 115.26 111.95 1ab2 n ASN 30 Ca 0.00 -0.33 0.06 0.00 -0.53 0.00 0.00 54.58 53.78 1ab2 n ASN 30 Cb 0.58 -0.15 -0.01 0.00 -2.08 0.00 0.00 39.78 38.12 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 -2.30 -0.55 0.02 4.83 0.00 -1.26 -4.00 107.32 104.07 1ab2 s GLY 31 Ca 0.26 2.58 0.04 0.00 0.00 0.00 0.00 44.72 47.59 1ab2 s GLY 31 CO 0.28 4.00 -0.11 -0.56 0.00 0.00 0.00 173.10 176.71 1ab2 s SER 32 N 2.97 1.32 0.03 1.64 0.01 -0.81 -4.14 113.70 114.72 1ab2 s SER 32 Ca 0.11 -0.35 0.07 0.00 1.31 0.00 0.00 55.95 57.09 1ab2 s SER 32 Cb -0.06 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1ab2 s SER 32 CO -0.16 0.04 -0.18 -0.36 0.41 0.00 0.00 173.24 172.99 1ab2 s PHE 33 N -0.66 2.55 0.23 2.43 0.40 -1.26 0.57 117.98 122.25 1ab2 s PHE 33 Ca 0.01 -0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.16 1ab2 s PHE 33 Cb -0.06 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1ab2 s PHE 33 CO 0.00 0.24 -0.00 -0.51 0.70 0.00 0.00 175.22 175.65 1ab2 s LEU 34 N -1.36 3.24 0.10 -0.37 1.43 0.53 -4.87 118.68 117.39 1ab2 s LEU 34 Ca 0.14 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1ab2 s LEU 34 Cb -0.10 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1ab2 s LEU 34 CO 0.05 0.04 -0.15 0.54 0.23 0.00 0.00 176.35 177.05 1ab2 s VAL 35 N -2.07 3.04 0.33 -1.59 0.11 -1.26 0.25 120.40 119.21 1ab2 s VAL 35 Ca 0.30 -1.38 0.04 0.00 -2.93 0.00 0.00 61.98 58.00 1ab2 s VAL 35 Cb -0.08 -2.40 -0.06 0.00 -1.53 0.00 0.00 36.38 32.32 1ab2 s VAL 35 CO 0.19 0.13 0.07 -0.13 -3.33 0.00 0.00 175.10 172.02 1ab2 s ARG 36 N -2.10 1.66 0.27 1.54 0.52 -0.67 -3.61 118.95 116.55 1ab2 s ARG 36 Ca 0.19 -1.93 0.04 0.00 -0.52 0.00 0.00 55.73 53.51 1ab2 s ARG 36 Cb -0.11 -0.81 -0.06 0.00 0.52 0.00 0.00 34.95 34.49 1ab2 s ARG 36 CO 0.11 -0.22 0.01 -2.00 0.02 0.00 0.00 175.30 173.22 1ab2 s GLU 37 N -3.89 1.48 0.25 3.54 2.12 -1.26 -2.75 118.70 118.18 1ab2 s GLU 37 Ca 0.36 -1.77 -0.27 0.00 0.36 0.00 0.00 54.97 53.64 1ab2 s GLU 37 Cb 0.08 -0.78 -0.16 0.00 0.26 0.00 0.00 34.13 33.53 1ab2 s GLU 37 CO 0.15 -0.11 0.50 -1.13 -0.54 0.00 0.00 175.26 174.13 1ab2 n SER 38 N -0.53 -1.27 -3.01 -1.70 3.41 0.51 -4.65 113.62 106.37 1ab2 n SER 38 Ca -0.04 1.08 0.01 0.00 -0.26 0.00 0.00 58.87 59.66 1ab2 n SER 38 Cb 0.65 -0.97 -0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1ab2 n SER 38 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ab2 s GLU 39 N -1.07 0.57 -0.00 4.33 -6.30 -1.26 -4.90 118.70 110.07 1ab2 s GLU 39 Ca 0.63 -0.21 0.00 0.00 -2.50 0.00 0.00 54.97 52.88 1ab2 s GLU 39 Cb -0.85 0.06 0.00 0.00 0.00 0.00 0.00 34.13 33.34 1ab2 s GLU 39 CO 0.57 -0.82 0.00 0.43 0.02 0.00 0.00 175.26 175.46 1ab2 n SER 40 N 4.05 -3.02 -4.88 -1.70 7.64 -1.26 -5.02 113.62 109.42 1ab2 n SER 40 Ca 0.09 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 1ab2 n SER 40 Cb 0.60 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ab2 n SER 41 N 0.08 2.98 -1.45 6.43 2.88 -1.26 -4.98 113.62 118.30 1ab2 n SER 41 Ca -0.00 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 1ab2 n SER 41 Cb 0.00 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1ab2 n SER 41 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ab2 n PRO 42 N -1.69 0.75 -2.39 -1.46 -0.04 -1.26 -4.64 135.00 124.26 1ab2 n PRO 42 Ca -0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.35 1ab2 n PRO 42 Cb 0.65 -1.13 0.02 0.00 -0.04 0.00 0.00 33.50 33.00 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 1.35 -0.55 1.48 0.55 0.00 -1.26 -5.07 105.19 101.69 1ab2 n GLY 43 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1ab2 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ab2 n GLN 44 N -1.86 1.10 -4.38 1.61 10.64 -1.26 -4.91 117.38 118.32 1ab2 n GLN 44 Ca -0.02 -1.52 -0.22 0.00 -1.83 0.00 0.00 57.00 53.42 1ab2 n GLN 44 Cb 0.53 0.63 -0.10 0.00 -0.86 0.00 0.00 30.24 30.43 1ab2 n GLN 44 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1ab2 s ARG 45 N -2.72 1.43 0.41 2.61 3.00 -1.26 0.19 118.95 122.61 1ab2 s ARG 45 Ca 0.05 -1.59 0.05 0.00 0.00 0.00 0.00 55.73 54.24 1ab2 s ARG 45 Cb 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 34.95 33.46 1ab2 s ARG 45 CO 0.03 0.27 0.03 -1.54 0.00 0.00 0.00 175.30 174.09 1ab2 s SER 46 N -3.14 3.46 0.06 0.23 1.04 -1.11 -1.74 113.70 112.50 1ab2 s SER 46 Ca 0.23 -1.46 0.04 0.00 0.48 0.00 0.00 55.95 55.24 1ab2 s SER 46 Cb -0.04 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1ab2 s SER 46 CO 0.09 -0.61 -0.12 -0.51 0.98 0.00 0.00 173.24 173.07 1ab2 s ILE 47 N -2.93 0.91 -0.05 -1.02 1.10 -0.77 -1.68 121.20 116.76 1ab2 s ILE 47 Ca 0.28 -1.20 0.03 0.00 -0.51 0.00 0.00 60.65 59.25 1ab2 s ILE 47 Cb 0.07 -0.90 0.01 0.00 0.15 0.00 0.00 42.46 41.79 1ab2 s ILE 47 CO 0.14 -0.26 -0.11 -0.44 -2.11 0.00 0.00 174.94 172.16 1ab2 s SER 48 N -1.63 1.59 0.07 4.50 0.01 0.71 -1.51 113.70 117.43 1ab2 s SER 48 Ca -0.04 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.05 1ab2 s SER 48 Cb -0.10 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1ab2 s SER 48 CO 0.02 0.06 -0.23 -0.76 0.41 0.00 0.00 173.24 172.73 1ab2 s LEU 49 N 0.43 2.40 -0.11 2.44 2.01 0.15 0.20 118.68 126.21 1ab2 s LEU 49 Ca -0.09 -0.56 -0.01 0.00 0.01 0.00 0.00 54.13 53.48 1ab2 s LEU 49 Cb -0.13 -1.38 0.03 0.00 0.01 0.00 0.00 46.19 44.72 1ab2 s LEU 49 CO 0.02 0.24 -0.01 -0.60 1.01 0.00 0.00 176.35 177.01 1ab2 s ARG 50 N -1.54 0.79 0.35 1.70 3.00 0.19 0.93 118.95 124.37 1ab2 s ARG 50 Ca 0.14 -0.09 0.02 0.00 -1.00 0.00 0.00 55.73 54.80 1ab2 s ARG 50 Cb -0.10 -1.36 0.02 0.00 0.00 0.00 0.00 34.95 33.51 1ab2 s ARG 50 CO 0.05 -0.38 0.18 0.66 0.00 0.00 0.00 175.30 175.82 1ab2 n TYR 51 N 5.08 -0.40 -0.27 5.12 4.01 -0.43 -1.93 117.16 128.34 1ab2 n TYR 51 Ca -0.08 -1.54 0.00 0.00 -0.16 0.00 0.00 57.90 56.11 1ab2 n TYR 51 Cb 0.49 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1ab2 n TYR 51 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1ab2 n GLU 52 N -1.18 0.83 0.02 -0.72 0.00 -1.26 -3.82 120.64 114.51 1ab2 n GLU 52 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1ab2 n GLU 52 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 31.44 30.76 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ab2 n GLY 53 N 1.47 -1.27 1.70 -1.84 0.00 -1.26 -5.17 105.19 98.82 1ab2 n GLY 53 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1ab2 n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ab2 n ARG 54 N -2.60 0.28 -4.10 1.61 0.00 -1.25 -5.15 116.66 105.46 1ab2 n ARG 54 Ca 0.00 -1.60 -0.34 0.00 -0.00 0.00 0.00 57.85 55.91 1ab2 n ARG 54 Cb 0.00 1.41 -0.14 0.00 -0.00 0.00 0.00 32.46 33.73 1ab2 n ARG 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ab2 s VAL 55 N -2.67 3.17 0.09 8.89 1.01 -1.26 -1.32 120.40 128.31 1ab2 s VAL 55 Ca 0.18 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1ab2 s VAL 55 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 1ab2 s VAL 55 CO 0.13 0.46 0.45 -0.31 0.00 0.00 0.00 175.10 175.82 1ab2 s TYR 56 N 1.23 3.61 -0.25 5.22 2.02 0.26 -4.89 117.35 124.56 1ab2 s TYR 56 Ca 0.03 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.64 1ab2 s TYR 56 Cb -0.14 -2.24 0.04 0.00 -0.40 0.00 0.00 41.96 39.22 1ab2 s TYR 56 CO -0.03 0.51 -0.11 -1.01 -1.57 0.00 0.00 175.55 173.35 1ab2 s HIS 57 N -1.37 3.13 -0.26 2.71 3.76 -1.26 0.34 115.29 122.34 1ab2 s HIS 57 Ca 0.33 -1.98 -0.00 0.00 -0.15 0.00 0.00 55.06 53.25 1ab2 s HIS 57 Cb -0.15 -1.97 0.08 0.00 1.11 0.00 0.00 32.58 31.64 1ab2 s HIS 57 CO 0.18 -0.83 0.02 -0.47 -0.85 0.00 0.00 174.74 172.79 1ab2 s TYR 58 N 1.20 2.08 0.58 1.40 6.14 -0.57 -5.02 117.35 123.17 1ab2 s TYR 58 Ca -0.04 -1.71 -0.20 0.00 0.64 0.00 0.00 57.07 55.76 1ab2 s TYR 58 Cb -0.18 -1.66 -0.04 0.00 0.42 0.00 0.00 41.96 40.51 1ab2 s TYR 58 CO -0.06 -0.79 1.30 -0.98 0.64 0.00 0.00 175.55 175.66 1ab2 s ARG 59 N 1.49 2.98 0.52 4.97 1.70 -1.26 -1.85 118.95 127.50 1ab2 s ARG 59 Ca 0.01 2.09 -0.20 0.00 -0.47 0.00 0.00 55.73 57.16 1ab2 s ARG 59 Cb -0.18 -2.09 -0.07 0.00 -0.57 0.00 0.00 34.95 32.04 1ab2 s ARG 59 CO -0.12 -1.27 1.11 0.42 -1.08 0.00 0.00 175.30 174.36 1ab2 s ILE 60 N -1.39 3.31 -0.12 4.99 1.01 -0.71 -4.78 121.20 123.51 1ab2 s ILE 60 Ca 0.75 0.84 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 1ab2 s ILE 60 Cb -0.37 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1ab2 s ILE 60 CO 0.42 -0.15 -0.09 0.21 0.00 0.00 0.00 174.94 175.33 1ab2 s ASN 61 N -1.76 4.39 -0.06 3.58 2.47 -1.26 -4.85 114.94 117.44 1ab2 s ASN 61 Ca 0.70 -0.20 0.01 0.00 0.42 0.00 0.00 52.86 53.79 1ab2 s ASN 61 Cb -0.23 -1.54 -0.03 0.00 -1.45 0.00 0.00 41.25 38.01 1ab2 s ASN 61 CO 0.26 0.21 -0.07 -0.89 -3.72 0.00 0.00 177.10 172.90 1ab2 s THR 62 N 0.08 3.70 0.82 -5.21 2.01 -1.26 -1.67 115.64 114.11 1ab2 s THR 62 Ca -0.03 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1ab2 s THR 62 Cb -0.14 -2.52 0.20 0.00 0.01 0.00 0.00 72.50 70.04 1ab2 s THR 62 CO 0.04 0.57 0.89 0.00 -0.69 0.00 0.00 174.62 175.43 1ab2 n ALA 63 N 2.13 -1.89 -1.03 7.40 0.00 -0.84 -4.86 120.51 121.43 1ab2 n ALA 63 Ca -0.18 -1.24 -0.14 0.00 0.00 0.00 0.00 53.44 51.88 1ab2 n ALA 63 Cb 0.53 -0.08 -0.16 0.00 0.00 0.00 0.00 19.45 19.74 1ab2 n ALA 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ab2 n SER 64 N -4.04 5.51 0.09 0.00 2.88 -1.26 -3.39 113.62 113.40 1ab2 n SER 64 Ca 0.12 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 1ab2 n SER 64 Cb 0.43 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1ab2 n SER 64 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ab2 n ASP 65 N 2.57 -1.04 0.00 -3.46 8.00 -1.26 -5.05 116.55 116.31 1ab2 n ASP 65 Ca 0.46 0.32 0.00 0.00 0.71 0.00 0.00 54.79 56.27 1ab2 n ASP 65 Cb 0.87 1.16 0.00 0.00 -0.02 0.00 0.00 41.12 43.12 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 -0.06 0.53 3.77 0.44 0.00 -1.22 -5.14 105.19 103.51 1ab2 n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ab2 s LYS 67 N 0.00 2.32 -0.38 1.61 1.02 -1.26 -4.81 119.74 118.24 1ab2 s LYS 67 Ca 0.00 1.17 -0.12 0.00 0.02 0.00 0.00 55.97 57.04 1ab2 s LYS 67 Cb 0.00 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.43 1ab2 s LYS 67 CO 0.00 -1.60 0.22 -0.51 -0.92 0.00 0.00 175.35 172.54 1ab2 s LEU 68 N -5.85 4.76 -0.30 3.17 1.43 0.53 -1.98 118.68 120.43 1ab2 s LEU 68 Ca 0.61 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1ab2 s LEU 68 Cb -0.17 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.10 1ab2 s LEU 68 CO 0.55 -0.39 0.09 -0.72 0.23 0.00 0.00 176.35 176.11 1ab2 s TYR 69 N 1.58 1.77 -0.47 0.29 1.13 -0.67 0.12 117.35 121.09 1ab2 s TYR 69 Ca 0.03 -1.75 0.24 0.00 -1.41 0.00 0.00 57.07 54.18 1ab2 s TYR 69 Cb -0.19 -1.73 0.99 0.00 -1.10 0.00 0.00 41.96 39.92 1ab2 s TYR 69 CO 0.07 -0.87 1.72 0.28 -2.51 0.00 0.00 175.55 174.25 1ab2 n VAL 70 N 4.83 0.81 -3.79 -3.49 0.31 -1.20 -4.60 118.33 111.19 1ab2 n VAL 70 Ca -0.02 0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 64.37 1ab2 n VAL 70 Cb 0.42 -1.14 -0.15 0.00 -0.91 0.00 0.00 33.84 32.06 1ab2 n VAL 70 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ab2 s SER 71 N -4.30 0.01 0.57 4.52 0.15 -1.06 -4.58 113.70 109.00 1ab2 s SER 71 Ca 0.04 0.09 0.29 0.00 0.70 0.00 0.00 55.95 57.07 1ab2 s SER 71 Cb 0.09 0.01 1.56 0.00 -1.71 0.00 0.00 66.02 65.97 1ab2 s SER 71 CO 0.41 -0.10 1.86 0.77 1.20 0.00 0.00 173.24 177.38 1ab2 h SER 72 N 6.93 0.00 -0.01 5.45 4.64 -1.91 1.42 113.55 130.08 1ab2 h SER 72 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1ab2 h SER 72 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ab2 h SER 72 CO 0.47 0.00 -0.78 -1.84 -0.87 0.00 0.00 176.83 173.81 1ab2 n GLU 73 N -2.70 0.54 -3.69 4.77 0.28 -1.26 -4.80 120.64 113.77 1ab2 n GLU 73 Ca -0.02 -0.39 -0.28 0.00 -0.16 0.00 0.00 57.16 56.31 1ab2 n GLU 73 Cb 0.28 -1.48 -0.16 0.00 1.43 0.00 0.00 31.44 31.50 1ab2 n GLU 73 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1ab2 s SER 74 N -2.77 2.97 0.00 -1.84 0.01 0.49 -5.13 113.70 107.43 1ab2 s SER 74 Ca 0.12 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 56.54 1ab2 s SER 74 Cb 0.17 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 1ab2 s SER 74 CO 0.74 -0.34 -0.20 -0.13 0.41 0.00 0.00 173.24 173.72 1ab2 s ARG 75 N 1.91 1.55 0.22 12.44 0.52 -1.25 -2.55 118.95 131.79 1ab2 s ARG 75 Ca 0.02 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.43 1ab2 s ARG 75 Cb -0.17 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1ab2 s ARG 75 CO -0.13 0.42 0.12 -0.06 0.02 0.00 0.00 175.30 175.67 1ab2 s PHE 76 N -0.58 1.28 -0.02 -0.53 0.08 0.31 -4.93 117.98 113.60 1ab2 s PHE 76 Ca 0.08 -1.32 0.06 0.00 0.12 0.00 0.00 56.93 55.87 1ab2 s PHE 76 Cb -0.08 -0.67 -0.09 0.00 -0.57 0.00 0.00 43.02 41.61 1ab2 s PHE 76 CO 0.00 -0.54 0.12 0.09 -0.10 0.00 0.00 175.22 174.79 1ab2 n ASN 77 N -0.33 3.56 -4.14 1.36 3.02 -1.26 0.20 115.26 117.66 1ab2 n ASN 77 Ca 0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.30 1ab2 n ASN 77 Cb 0.66 1.19 -0.16 0.00 -0.61 0.00 0.00 39.78 40.86 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 -2.39 1.48 0.23 3.41 2.01 -1.26 -4.71 115.64 114.40 1ab2 s THR 78 Ca -0.02 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 1ab2 s THR 78 Cb 0.04 -1.27 0.23 0.00 0.01 0.00 0.00 72.50 71.51 1ab2 s THR 78 CO 0.26 0.42 1.66 0.17 -0.69 0.00 0.00 174.62 176.45 1ab2 h LEU 79 N 6.25 -0.17 -0.22 4.42 -0.00 -1.96 -0.75 115.31 122.88 1ab2 h LEU 79 Ca -0.32 0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.74 1ab2 h LEU 79 Cb 1.17 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 42.05 1ab2 h LEU 79 CO 0.48 -0.10 -0.28 0.00 -0.00 0.00 0.00 178.44 178.54 1ab2 h ALA 80 N 1.62 -0.53 -0.98 0.17 0.00 -1.98 0.53 119.26 118.09 1ab2 h ALA 80 Ca 0.38 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.53 1ab2 h ALA 80 Cb 0.65 0.93 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 1ab2 h ALA 80 CO -0.55 -0.67 0.55 0.93 0.00 0.00 0.00 179.25 179.51 1ab2 h GLU 81 N -0.19 0.54 -0.72 0.00 4.39 -1.71 0.72 114.58 117.61 1ab2 h GLU 81 Ca 0.04 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1ab2 h GLU 81 Cb 0.29 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1ab2 h GLU 81 CO -0.30 0.36 0.47 1.25 -1.16 0.00 0.00 179.01 179.63 1ab2 h LEU 82 N 0.56 0.81 -0.15 1.33 6.46 0.80 -1.84 115.31 123.27 1ab2 h LEU 82 Ca 0.62 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 58.30 1ab2 h LEU 82 Cb 1.15 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1ab2 h LEU 82 CO -0.48 0.58 -0.14 0.58 -0.62 0.00 0.00 178.44 178.36 1ab2 h VAL 83 N 0.95 1.34 -0.79 1.05 2.07 0.48 0.12 116.25 121.48 1ab2 h VAL 83 Ca 0.27 -1.30 0.15 0.00 0.82 0.00 0.00 66.70 66.65 1ab2 h VAL 83 Cb -0.08 1.86 -0.15 0.00 -1.52 0.00 0.00 31.29 31.40 1ab2 h VAL 83 CO -0.07 0.38 -0.22 0.45 0.02 0.00 0.00 177.57 178.13 1ab2 h HIS 84 N -0.00 -0.50 -0.19 1.57 3.86 0.59 1.92 115.15 122.39 1ab2 h HIS 84 Ca 0.02 0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.17 1ab2 h HIS 84 Cb 0.67 0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1ab2 h HIS 84 CO 0.08 -0.35 -0.42 1.25 0.86 0.00 0.00 177.93 179.36 1ab2 h HIS 85 N -0.02 0.79 0.00 2.45 -0.00 -1.30 -2.59 115.15 114.48 1ab2 h HIS 85 Ca 0.37 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1ab2 h HIS 85 Cb 0.58 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1ab2 h HIS 85 CO -0.64 1.05 0.00 0.72 -0.00 0.00 0.00 177.93 179.06 1ab2 n HIS 86 N -4.23 0.00 -0.00 5.26 -0.00 0.84 -0.66 115.22 116.42 1ab2 n HIS 86 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1ab2 n HIS 86 Cb 0.55 -0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 30.39 1ab2 n HIS 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ab2 n SER 87 N -0.29 0.50 0.00 0.41 2.88 0.62 -1.22 113.62 116.52 1ab2 n SER 87 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ab2 n SER 87 Cb 0.08 0.71 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1ab2 n SER 87 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ab2 n THR 88 N -2.73 0.00 -3.74 2.46 -2.24 -1.06 -4.61 114.28 102.36 1ab2 n THR 88 Ca -0.13 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1ab2 n THR 88 Cb 0.85 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.65 1.81 -1.23 2.28 1.01 0.17 -5.02 120.40 117.75 1ab2 s VAL 89 Ca 0.00 -3.21 -0.19 0.00 0.00 0.00 0.00 61.98 58.58 1ab2 s VAL 89 Cb 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1ab2 s VAL 89 CO 0.00 -0.99 1.88 0.00 0.00 0.00 0.00 175.10 176.00 1ab2 n ALA 90 N 2.86 3.27 1.76 5.51 0.00 -1.25 -4.03 120.51 128.62 1ab2 n ALA 90 Ca 0.16 -3.54 0.08 0.00 0.00 0.00 0.00 53.44 50.13 1ab2 n ALA 90 Cb 0.37 -3.56 0.46 0.00 0.00 0.00 0.00 19.45 16.72 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 9.84 0.00 0.01 0.00 8.00 -1.26 -4.20 116.55 128.94 1ab2 n ASP 91 Ca 0.48 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1ab2 n ASP 91 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.59 -0.07 3.77 0.44 0.00 -1.26 -4.49 105.19 104.17 1ab2 n GLY 92 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.25 3.87 0.00 0.99 1.43 -1.26 -4.97 118.68 113.48 1ab2 s LEU 93 Ca 0.00 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1ab2 s LEU 93 Cb 0.00 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1ab2 s LEU 93 CO 0.00 -1.10 0.36 0.00 0.23 0.00 0.00 176.35 175.84 1ab2 n ILE 94 N -0.93 0.00 -0.70 -0.59 3.06 -1.26 -4.69 119.36 114.24 1ab2 n ILE 94 Ca 0.10 0.86 0.00 0.00 -2.50 0.00 0.00 62.75 61.20 1ab2 n ILE 94 Cb 0.49 -1.54 0.00 0.00 0.54 0.00 0.00 39.64 39.14 1ab2 n ILE 94 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 1ab2 n THR 95 N -0.59 0.00 -4.10 9.51 5.66 -1.26 -4.85 114.28 118.66 1ab2 n THR 95 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1ab2 n THR 95 Cb 0.00 -1.93 -0.16 0.00 -1.55 0.00 0.00 70.33 66.69 1ab2 n THR 95 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ab2 s THR 96 N -0.73 2.04 -0.46 1.09 -4.23 -1.26 -4.65 115.64 107.45 1ab2 s THR 96 Ca 0.00 -1.09 -0.44 0.00 -1.18 0.00 0.00 61.69 58.99 1ab2 s THR 96 Cb 0.00 -1.93 -0.19 0.00 1.34 0.00 0.00 72.50 71.72 1ab2 s THR 96 CO 0.00 0.39 1.48 0.18 -0.54 0.00 0.00 174.62 176.13 1ab2 n LEU 97 N 4.59 1.11 -3.16 4.79 4.32 -0.36 -4.85 117.00 123.44 1ab2 n LEU 97 Ca -0.19 1.11 -0.19 0.00 -0.02 0.00 0.00 56.01 56.71 1ab2 n LEU 97 Cb 0.48 -0.82 -0.04 0.00 -1.62 0.00 0.00 43.42 41.43 1ab2 n LEU 97 CO 0.24 -0.79 -0.22 1.57 -1.22 0.00 0.00 177.39 176.98 1ab2 n HIS 98 N 3.70 -0.22 -2.70 -1.77 -0.00 -1.26 -4.57 115.22 108.40 1ab2 n HIS 98 Ca 0.29 -3.61 -0.06 0.00 0.46 0.00 0.00 57.72 54.79 1ab2 n HIS 98 Cb -0.05 -0.26 0.09 0.00 -0.12 0.00 0.00 29.99 29.64 1ab2 n HIS 98 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1ab2 n TYR 99 N 0.69 -1.08 0.02 1.57 4.11 -1.26 -4.35 117.16 116.87 1ab2 n TYR 99 Ca 0.22 -2.15 0.00 0.00 -0.00 0.00 0.00 57.90 55.97 1ab2 n TYR 99 Cb 0.62 0.89 0.00 0.00 -0.00 0.00 0.00 39.34 40.84 1ab2 n TYR 99 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1ab2 n PRO 100 N -0.59 0.75 -2.40 -3.48 -0.04 -1.26 -4.34 135.00 123.64 1ab2 n PRO 100 Ca -0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 1ab2 n PRO 100 Cb 0.84 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 33.15 1ab2 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ab2 s ALA 101 N 0.41 3.52 -0.80 0.55 0.00 0.96 -4.57 121.76 121.83 1ab2 s ALA 101 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 1ab2 s ALA 101 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ab2 s ALA 101 CO 0.00 -0.82 1.62 -1.25 0.00 0.00 0.00 175.76 175.31 1ab2 s PRO 102 N 2.32 2.99 0.36 0.00 0.04 -1.19 -4.05 135.00 135.47 1ab2 s PRO 102 Ca 0.58 -0.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.14 1ab2 s PRO 102 Cb -0.26 -4.70 -0.09 0.00 0.04 0.00 0.00 34.50 29.49 1ab2 s PRO 102 CO 0.23 -2.59 1.02 -1.59 0.04 0.00 0.00 177.00 174.11 1ab2 s LYS 103 N 6.20 4.36 -0.62 4.56 0.00 -1.26 -4.99 119.74 127.99 1ab2 s LYS 103 Ca 0.54 1.50 -0.20 0.00 0.00 0.00 0.00 55.97 57.81 1ab2 s LYS 103 Cb -0.07 -2.72 0.10 0.00 0.00 0.00 0.00 37.83 35.14 1ab2 s LYS 103 CO 0.07 0.04 0.77 -0.98 0.00 0.00 0.00 175.35 175.25 1ab2 s ARG 104 N -2.21 3.07 0.06 1.78 1.70 -1.26 -5.00 118.95 117.09 1ab2 s ARG 104 Ca 0.53 -1.23 -0.28 0.00 -0.47 0.00 0.00 55.73 54.28 1ab2 s ARG 104 Cb -0.22 -4.27 -0.15 0.00 -0.57 0.00 0.00 34.95 29.73 1ab2 s ARG 104 CO 0.28 -1.61 0.68 0.41 -1.08 0.00 0.00 175.30 173.99 1ab2 n GLY 105 N 5.28 -0.67 0.24 3.88 0.00 -1.26 -4.83 105.19 107.84 1ab2 n GLY 105 Ca -0.07 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 1ab2 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ab2 h ILE 106 N 1.78 1.28 -3.24 -0.61 -0.00 -1.95 -3.47 117.51 111.30 1ab2 h ILE 106 Ca -0.34 -1.44 -0.03 0.00 -0.00 0.00 0.00 64.86 63.05 1ab2 h ILE 106 Cb 1.14 1.41 -0.12 0.00 -0.00 0.00 0.00 36.82 39.25 1ab2 h ILE 106 CO 0.49 0.48 0.05 -1.38 -0.00 0.00 0.00 178.15 177.78 1ab2 s HIS 107 N -4.47 -0.28 -0.32 2.19 -3.43 -1.26 -5.04 115.29 102.66 1ab2 s HIS 107 Ca -0.12 -0.01 -0.08 0.00 -0.80 0.00 0.00 55.06 54.05 1ab2 s HIS 107 Cb 0.10 0.39 0.01 0.00 -1.43 0.00 0.00 32.58 31.66 1ab2 s HIS 107 CO 0.85 -0.81 0.30 0.54 -2.00 0.00 0.00 174.74 173.61 1ab2 n ARG 108 N -0.31 -2.45 -0.37 -0.38 3.00 -1.26 -4.98 116.66 109.91 1ab2 n ARG 108 Ca -0.15 2.14 0.00 0.00 -0.01 0.00 0.00 57.85 59.83 1ab2 n ARG 108 Cb 0.64 -4.95 0.00 0.00 0.00 0.00 0.00 32.46 28.14 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16