#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 -7.07 -0.09 1.61 2.88 -1.26 -5.03 113.62 104.66 1ab2 n SER 2 Ca 0.00 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1ab2 n SER 2 Cb 0.00 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.35 1ab2 n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ab2 n GLY 3 N -0.49 1.75 0.34 0.46 0.00 -1.26 -4.99 105.19 101.01 1ab2 n GLY 3 Ca 0.02 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.17 1ab2 n GLY 3 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ab2 h ASN 4 N 0.00 -0.77 -3.13 1.61 -0.73 -2.07 -3.40 115.58 107.09 1ab2 h ASN 4 Ca 0.00 0.05 -0.66 0.00 1.87 0.00 0.00 56.30 57.56 1ab2 h ASN 4 Cb 0.00 0.23 -0.35 0.00 0.27 0.00 0.00 38.32 38.48 1ab2 h ASN 4 CO 0.00 -0.47 -0.86 -0.44 -0.37 0.00 0.00 177.43 175.29 1ab2 s SER 5 N -4.57 3.02 -0.35 1.15 0.01 -1.26 -5.00 113.70 106.71 1ab2 s SER 5 Ca -0.17 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.47 1ab2 s SER 5 Cb 0.05 -1.40 0.15 0.00 0.21 0.00 0.00 66.02 65.02 1ab2 s SER 5 CO 0.63 0.02 2.32 0.00 0.41 0.00 0.00 173.24 176.62 1ab2 n LEU 6 N 4.43 6.42 -3.66 2.44 -0.00 -1.26 -4.79 117.00 120.57 1ab2 n LEU 6 Ca -0.20 -3.53 -0.42 0.00 -0.00 0.00 0.00 56.01 51.85 1ab2 n LEU 6 Cb 0.51 -1.13 -0.03 0.00 -0.00 0.00 0.00 43.42 42.77 1ab2 n LEU 6 CO 0.26 1.40 2.42 -0.62 -0.00 0.00 0.00 177.39 180.85 1ab2 n GLU 7 N 0.60 2.21 0.00 1.47 -0.58 -1.26 -4.55 120.64 118.53 1ab2 n GLU 7 Ca 0.36 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.88 1ab2 n GLU 7 Cb 0.58 -3.09 0.00 0.00 -0.57 0.00 0.00 31.44 28.36 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ab2 n LYS 8 N 6.46 0.00 -1.00 3.49 0.00 -1.26 -4.90 118.16 120.96 1ab2 n LYS 8 Ca 0.51 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.52 1ab2 n LYS 8 Cb 0.39 0.00 0.26 0.00 0.00 0.00 0.00 35.03 35.68 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 0.04 -2.00 5.64 3.76 -1.26 -4.83 115.29 116.64 1ab2 s HIS 9 Ca 0.00 0.40 0.16 0.00 -0.15 0.00 0.00 55.06 55.47 1ab2 s HIS 9 Cb 0.00 -3.43 0.95 0.00 1.11 0.00 0.00 32.58 31.20 1ab2 s HIS 9 CO 0.00 -4.18 1.55 0.45 -0.85 0.00 0.00 174.74 171.71 1ab2 n SER 10 N -4.96 0.00 0.00 1.40 2.88 -1.26 -2.01 113.62 109.67 1ab2 n SER 10 Ca 0.15 -1.33 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1ab2 n SER 10 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.77 0.00 -4.21 0.66 4.27 -1.26 -0.37 117.44 115.76 1ab2 n TRP 11 Ca 0.12 -0.24 -0.34 0.00 -3.89 0.00 0.00 57.50 53.15 1ab2 n TRP 11 Cb 0.05 -0.02 -0.11 0.00 -1.36 0.00 0.00 31.31 29.87 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 -0.48 3.12 0.00 -2.67 6.14 -0.85 -4.56 117.35 118.05 1ab2 s TYR 12 Ca 0.00 -0.16 0.00 0.00 0.64 0.00 0.00 57.07 57.55 1ab2 s TYR 12 Cb 0.00 -2.02 0.00 0.00 0.42 0.00 0.00 41.96 40.36 1ab2 s TYR 12 CO 0.00 0.03 0.06 -2.39 0.64 0.00 0.00 175.55 173.89 1ab2 n HIS 13 N 3.59 0.00 0.00 4.97 1.44 -1.26 -4.15 115.22 119.81 1ab2 n HIS 13 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 1ab2 n HIS 13 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 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 0.05 2.34 3.72 -1.39 0.00 -1.26 -4.92 105.19 103.72 1ab2 n GLY 14 Ca 0.00 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.72 4.47 0.22 1.61 0.04 -1.26 -4.79 135.00 133.58 1ab2 s PRO 15 Ca 0.00 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.86 1ab2 s PRO 15 Cb 0.00 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1ab2 s PRO 15 CO 0.00 -0.17 -0.19 0.08 0.04 0.00 0.00 177.00 176.75 1ab2 s VAL 16 N 0.82 2.16 0.34 -0.36 1.01 -1.24 -4.73 120.40 118.39 1ab2 s VAL 16 Ca 0.56 -2.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.09 1ab2 s VAL 16 Cb -0.28 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 1ab2 s VAL 16 CO 0.30 -0.37 0.97 -0.44 0.00 0.00 0.00 175.10 175.56 1ab2 s SER 17 N -3.14 7.22 0.32 3.32 0.01 -1.26 0.41 113.70 120.58 1ab2 s SER 17 Ca 0.24 1.89 0.15 0.00 1.31 0.00 0.00 55.95 59.55 1ab2 s SER 17 Cb -0.05 -2.58 0.46 0.00 0.21 0.00 0.00 66.02 64.06 1ab2 s SER 17 CO 0.11 -0.15 1.64 0.08 0.41 0.00 0.00 173.24 175.32 1ab2 h ARG 18 N 3.07 0.00 0.52 12.44 0.11 -1.95 -1.19 114.38 127.36 1ab2 h ARG 18 Ca -0.47 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 1ab2 h ARG 18 Cb 1.20 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.28 1ab2 h ARG 18 CO 0.65 0.49 -0.25 -2.95 0.10 0.00 0.00 179.97 178.01 1ab2 h ASN 19 N 0.00 -0.59 0.84 0.08 7.08 -1.95 -2.46 115.58 118.58 1ab2 h ASN 19 Ca -0.00 -0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 1ab2 h ASN 19 Cb 1.07 0.15 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 1ab2 h ASN 19 CO 0.06 -0.28 0.00 0.00 -2.08 0.00 0.00 177.43 175.13 1ab2 h ALA 20 N -0.53 1.00 -0.07 4.14 0.00 -1.97 -2.90 119.26 118.93 1ab2 h ALA 20 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ab2 h ALA 20 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ab2 h ALA 20 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1ab2 n ALA 21 N -1.81 -0.46 -0.28 0.00 0.00 -0.45 0.31 120.51 117.81 1ab2 n ALA 21 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1ab2 n ALA 21 Cb 0.26 0.03 0.25 0.00 0.00 0.00 0.00 19.45 19.99 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 0.98 0.00 0.00 4.11 -1.55 0.23 114.58 118.35 1ab2 h GLU 22 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1ab2 h GLU 22 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1ab2 h GLU 22 CO 0.00 0.65 0.00 0.98 0.07 0.00 0.00 179.01 180.71 1ab2 n TYR 23 N -4.48 0.00 -0.48 2.06 4.19 -1.10 -3.34 117.16 114.02 1ab2 n TYR 23 Ca 0.13 0.00 0.42 0.00 3.31 0.00 0.00 57.90 61.76 1ab2 n TYR 23 Cb 0.18 -0.38 0.78 0.00 0.49 0.00 0.00 39.34 40.41 1ab2 n TYR 23 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1ab2 h LEU 24 N 0.00 0.01 -8.22 2.98 6.46 0.48 -3.34 115.31 113.69 1ab2 h LEU 24 Ca 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1ab2 h LEU 24 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1ab2 h LEU 24 CO 0.00 -0.00 0.35 -0.11 -0.62 0.00 0.00 178.44 178.06 1ab2 n LEU 25 N -4.10 1.02 -4.93 2.25 7.94 0.80 -4.87 117.00 115.11 1ab2 n LEU 25 Ca 0.33 -1.57 -0.25 0.00 -1.11 0.00 0.00 56.01 53.41 1ab2 n LEU 25 Cb 1.55 -1.46 0.02 0.00 0.53 0.00 0.00 43.42 44.07 1ab2 n LEU 25 CO 0.41 -2.64 0.43 -0.55 -1.11 0.00 0.00 177.39 173.94 1ab2 s SER 26 N 8.24 5.67 -0.86 1.96 0.15 -1.26 -4.90 113.70 122.70 1ab2 s SER 26 Ca 0.91 0.53 -0.26 0.00 0.70 0.00 0.00 55.95 57.84 1ab2 s SER 26 Cb -0.21 -1.62 -0.20 0.00 -1.71 0.00 0.00 66.02 62.28 1ab2 s SER 26 CO 0.17 -0.93 2.52 -0.24 1.20 0.00 0.00 173.24 175.96 1ab2 n SER 27 N -2.39 0.58 0.00 5.45 2.88 -1.26 -4.78 113.62 114.10 1ab2 n SER 27 Ca 0.03 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1ab2 n SER 27 Cb 0.58 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 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 6.24 1.17 3.82 0.46 0.00 -1.26 -5.13 105.19 110.49 1ab2 n GLY 28 Ca 0.58 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.39 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 3.34 3.71 -0.02 -0.61 -4.36 -1.26 -4.99 121.20 117.01 1ab2 s ILE 29 Ca 0.00 -1.43 -0.02 0.00 -0.26 0.00 0.00 60.65 58.94 1ab2 s ILE 29 Cb 0.00 -3.21 -0.07 0.00 1.25 0.00 0.00 42.46 40.43 1ab2 s ILE 29 CO 0.00 -0.23 2.51 -3.20 0.24 0.00 0.00 174.94 174.26 1ab2 n ASN 30 N -1.28 5.38 0.00 4.36 5.15 -1.26 -4.40 115.26 123.22 1ab2 n ASN 30 Ca -0.04 -2.47 0.00 0.00 -0.60 0.00 0.00 54.58 51.47 1ab2 n ASN 30 Cb 0.59 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ab2 n GLY 31 N 1.75 -0.33 3.31 8.20 0.00 -1.23 -4.85 105.19 112.03 1ab2 n GLY 31 Ca 0.15 0.75 -0.11 0.00 0.00 0.00 0.00 46.02 46.81 1ab2 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ab2 s SER 32 N 0.00 -0.50 0.03 1.61 1.04 -0.82 -4.37 113.70 110.68 1ab2 s SER 32 Ca 0.00 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1ab2 s SER 32 Cb 0.00 0.84 -0.02 0.00 0.10 0.00 0.00 66.02 66.94 1ab2 s SER 32 CO 0.00 -0.18 -0.03 -0.36 0.98 0.00 0.00 173.24 173.65 1ab2 s PHE 33 N 0.91 0.33 0.27 5.02 0.40 -1.26 0.15 117.98 123.79 1ab2 s PHE 33 Ca -0.05 -0.60 -0.20 0.00 -0.60 0.00 0.00 56.93 55.48 1ab2 s PHE 33 Cb -0.06 -0.23 0.02 0.00 0.51 0.00 0.00 43.02 43.26 1ab2 s PHE 33 CO -0.07 -0.20 0.67 -0.48 0.70 0.00 0.00 175.22 175.84 1ab2 s LEU 34 N -1.66 -0.19 -0.07 -0.37 -0.00 0.95 -4.65 118.68 112.69 1ab2 s LEU 34 Ca -0.13 -0.61 -0.11 0.00 -0.00 0.00 0.00 54.13 53.29 1ab2 s LEU 34 Cb -0.08 2.58 -0.05 0.00 -0.00 0.00 0.00 46.19 48.64 1ab2 s LEU 34 CO -0.02 -1.29 0.26 -0.69 -0.00 0.00 0.00 176.35 174.62 1ab2 s VAL 35 N -3.92 5.29 0.09 1.48 1.01 -1.26 0.52 120.40 123.61 1ab2 s VAL 35 Ca 0.12 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.68 1ab2 s VAL 35 Cb -0.05 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1ab2 s VAL 35 CO 0.06 0.58 -0.21 -0.13 0.00 0.00 0.00 175.10 175.40 1ab2 s ARG 36 N -0.90 1.18 -0.11 2.72 0.52 0.10 -3.69 118.95 118.78 1ab2 s ARG 36 Ca 0.19 -1.10 -0.10 0.00 -0.52 0.00 0.00 55.73 54.19 1ab2 s ARG 36 Cb -0.14 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.88 1ab2 s ARG 36 CO 0.08 0.33 0.23 -2.00 0.02 0.00 0.00 175.30 173.96 1ab2 s GLU 37 N -1.72 3.78 0.56 3.54 2.12 0.17 0.20 118.70 127.35 1ab2 s GLU 37 Ca 0.06 0.03 -0.20 0.00 0.36 0.00 0.00 54.97 55.23 1ab2 s GLU 37 Cb -0.10 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1ab2 s GLU 37 CO 0.04 0.61 1.22 0.45 -0.54 0.00 0.00 175.26 177.04 1ab2 s SER 38 N -0.63 5.40 0.52 -1.70 0.15 -1.09 -4.39 113.70 111.96 1ab2 s SER 38 Ca 0.17 2.42 -0.23 0.00 0.70 0.00 0.00 55.95 59.01 1ab2 s SER 38 Cb -0.13 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 1ab2 s SER 38 CO 0.06 -1.46 1.39 -0.70 1.20 0.00 0.00 173.24 173.73 1ab2 s GLU 39 N -3.16 3.28 0.00 5.44 -6.30 -1.26 -3.81 118.70 112.90 1ab2 s GLU 39 Ca 0.74 2.31 0.00 0.00 -2.50 0.00 0.00 54.97 55.52 1ab2 s GLU 39 Cb -0.31 -2.37 0.00 0.00 0.00 0.00 0.00 34.13 31.45 1ab2 s GLU 39 CO 0.35 -1.10 0.00 -1.13 0.02 0.00 0.00 175.26 173.40 1ab2 n SER 40 N -0.79 0.00 -4.21 -1.70 3.41 -1.26 -4.89 113.62 104.18 1ab2 n SER 40 Ca 0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 1ab2 n SER 40 Cb 0.44 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.00 1.76 0.00 4.04 1.04 -1.25 -5.01 113.70 114.28 1ab2 s SER 41 Ca 0.00 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1ab2 s SER 41 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1ab2 s SER 41 CO 0.00 -0.17 0.40 -0.81 0.98 0.00 0.00 173.24 173.64 1ab2 n PRO 42 N 0.70 0.75 0.00 4.02 -0.04 -1.26 -4.50 135.00 134.67 1ab2 n PRO 42 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ab2 n PRO 42 Cb 0.57 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.13 0.44 3.79 0.55 0.00 -1.26 -5.15 105.19 103.70 1ab2 n GLY 43 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.18 3.02 0.03 1.61 -1.52 -1.26 -5.06 119.66 116.30 1ab2 s GLN 44 Ca 0.00 -0.57 0.06 0.00 -1.95 0.00 0.00 55.36 52.90 1ab2 s GLN 44 Cb 0.00 -2.82 -0.02 0.00 -0.22 0.00 0.00 33.01 29.95 1ab2 s GLN 44 CO 0.00 0.61 -0.16 1.03 -0.25 0.00 0.00 175.29 176.52 1ab2 s ARG 45 N -2.07 1.13 0.15 2.91 3.00 -1.26 -2.68 118.95 120.14 1ab2 s ARG 45 Ca 0.27 -0.76 0.02 0.00 0.00 0.00 0.00 55.73 55.25 1ab2 s ARG 45 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 34.95 33.62 1ab2 s ARG 45 CO 0.18 0.30 -0.01 -1.12 0.00 0.00 0.00 175.30 174.65 1ab2 s SER 46 N -0.97 1.12 -0.08 0.23 0.01 0.54 -2.18 113.70 112.37 1ab2 s SER 46 Ca 0.04 -1.14 0.01 0.00 1.31 0.00 0.00 55.95 56.16 1ab2 s SER 46 Cb -0.08 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 1ab2 s SER 46 CO 0.01 -0.56 -0.07 -0.51 0.41 0.00 0.00 173.24 172.52 1ab2 s ILE 47 N -3.68 3.67 -0.09 1.44 1.10 -0.87 0.00 121.20 122.77 1ab2 s ILE 47 Ca 0.22 -0.48 0.03 0.00 -0.51 0.00 0.00 60.65 59.90 1ab2 s ILE 47 Cb 0.06 -2.51 0.01 0.00 0.15 0.00 0.00 42.46 40.17 1ab2 s ILE 47 CO 0.02 0.59 -0.18 -0.94 -2.11 0.00 0.00 174.94 172.32 1ab2 s SER 48 N -0.67 2.52 -0.03 4.50 1.04 0.19 -1.71 113.70 119.54 1ab2 s SER 48 Ca 0.10 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1ab2 s SER 48 Cb -0.11 -1.15 -0.00 0.00 0.10 0.00 0.00 66.02 64.85 1ab2 s SER 48 CO 0.02 0.08 -0.12 -0.76 0.98 0.00 0.00 173.24 173.44 1ab2 s LEU 49 N 0.61 1.88 -0.03 2.42 2.01 -0.91 -0.03 118.68 124.62 1ab2 s LEU 49 Ca -0.14 -0.24 0.06 0.00 0.01 0.00 0.00 54.13 53.81 1ab2 s LEU 49 Cb -0.16 -0.69 -0.01 0.00 0.01 0.00 0.00 46.19 45.33 1ab2 s LEU 49 CO 0.04 0.11 -0.21 -0.60 1.01 0.00 0.00 176.35 176.70 1ab2 s ARG 50 N 0.03 1.94 -0.12 1.70 6.06 0.39 -0.84 118.95 128.12 1ab2 s ARG 50 Ca -0.01 -0.76 -0.09 0.00 -2.50 0.00 0.00 55.73 52.37 1ab2 s ARG 50 Cb -0.08 -1.76 -0.05 0.00 0.06 0.00 0.00 34.95 33.11 1ab2 s ARG 50 CO 0.01 0.39 -0.20 0.66 -2.50 0.00 0.00 175.30 173.66 1ab2 n TYR 51 N 2.78 0.00 0.00 5.12 4.01 -1.08 -1.94 117.16 126.05 1ab2 n TYR 51 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1ab2 n TYR 51 Cb 0.52 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1ab2 n GLU 52 N -3.86 0.00 -0.37 -0.72 0.00 -1.26 -3.58 120.64 110.85 1ab2 n GLU 52 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.02 1ab2 n GLU 52 Cb 0.54 0.00 0.14 0.00 0.00 0.00 0.00 31.44 32.11 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 -0.18 4.18 3.07 8.31 0.00 -1.26 -4.82 105.19 114.49 1ab2 n GLY 53 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1ab2 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ab2 s ARG 54 N -2.45 0.38 -0.10 1.61 0.52 -1.26 -5.15 118.95 112.51 1ab2 s ARG 54 Ca 0.30 -0.25 -0.01 0.00 -0.52 0.00 0.00 55.73 55.26 1ab2 s ARG 54 Cb 0.28 0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.94 1ab2 s ARG 54 CO -0.02 -0.08 -0.04 0.54 0.02 0.00 0.00 175.30 175.72 1ab2 s VAL 55 N -0.97 0.75 -0.03 3.52 0.11 -1.26 -2.64 120.40 119.88 1ab2 s VAL 55 Ca -0.11 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.61 1ab2 s VAL 55 Cb -0.06 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1ab2 s VAL 55 CO 0.01 0.30 0.53 -0.31 -3.33 0.00 0.00 175.10 172.30 1ab2 s TYR 56 N 1.82 3.66 -0.34 1.54 2.02 -0.02 -4.91 117.35 121.12 1ab2 s TYR 56 Ca 0.05 1.09 -0.04 0.00 -0.37 0.00 0.00 57.07 57.80 1ab2 s TYR 56 Cb -0.13 -2.54 0.06 0.00 -0.40 0.00 0.00 41.96 38.95 1ab2 s TYR 56 CO -0.07 0.37 0.09 -1.01 -1.57 0.00 0.00 175.55 173.35 1ab2 s HIS 57 N -0.18 3.31 -0.41 2.71 3.76 -1.26 -2.15 115.29 121.06 1ab2 s HIS 57 Ca 0.28 -1.74 -0.04 0.00 -0.15 0.00 0.00 55.06 53.41 1ab2 s HIS 57 Cb -0.17 -2.39 0.11 0.00 1.11 0.00 0.00 32.58 31.24 1ab2 s HIS 57 CO 0.15 -0.80 0.22 0.71 -0.85 0.00 0.00 174.74 174.17 1ab2 s TYR 58 N 1.31 3.53 0.49 1.40 1.51 -0.69 -4.97 117.35 119.93 1ab2 s TYR 58 Ca -0.01 -2.25 -0.21 0.00 -1.01 0.00 0.00 57.07 53.58 1ab2 s TYR 58 Cb -0.20 -3.19 -0.10 0.00 -0.11 0.00 0.00 41.96 38.36 1ab2 s TYR 58 CO 0.00 -0.96 0.76 0.54 -1.11 0.00 0.00 175.55 174.78 1ab2 n ARG 59 N 4.66 0.86 -0.99 -0.62 1.74 -1.26 -2.05 116.66 118.99 1ab2 n ARG 59 Ca -0.04 0.32 -0.30 0.00 -0.77 0.00 0.00 57.85 57.06 1ab2 n ARG 59 Cb 0.41 -1.83 0.16 0.00 -1.02 0.00 0.00 32.46 30.18 1ab2 n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ab2 s ILE 60 N -1.48 2.44 -0.04 0.55 -1.09 -0.93 -4.81 121.20 115.84 1ab2 s ILE 60 Ca 0.67 0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 59.22 1ab2 s ILE 60 Cb -0.52 -2.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.92 1ab2 s ILE 60 CO 0.55 -0.19 0.02 0.21 -1.23 0.00 0.00 174.94 174.30 1ab2 s ASN 61 N -3.12 0.95 -0.03 3.58 3.84 -1.26 -5.04 114.94 113.85 1ab2 s ASN 61 Ca 0.65 -0.01 0.06 0.00 0.21 0.00 0.00 52.86 53.77 1ab2 s ASN 61 Cb -0.20 -0.25 -0.02 0.00 -0.55 0.00 0.00 41.25 40.23 1ab2 s ASN 61 CO 0.59 -0.17 -0.19 -0.89 -2.79 0.00 0.00 177.10 173.64 1ab2 s THR 62 N 1.64 2.64 0.66 -5.21 2.01 -1.26 -0.99 115.64 115.14 1ab2 s THR 62 Ca -0.01 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1ab2 s THR 62 Cb -0.13 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 1ab2 s THR 62 CO -0.03 0.58 1.05 0.00 -0.69 0.00 0.00 174.62 175.53 1ab2 s ALA 63 N -0.69 2.82 0.57 7.40 0.00 0.81 -4.89 121.76 127.77 1ab2 s ALA 63 Ca 0.11 0.05 0.28 0.00 0.00 0.00 0.00 51.96 52.39 1ab2 s ALA 63 Cb -0.10 -3.15 1.51 0.00 0.00 0.00 0.00 23.12 21.38 1ab2 s ALA 63 CO 0.00 -1.02 2.00 0.66 0.00 0.00 0.00 175.76 177.40 1ab2 h SER 64 N -0.52 0.00 0.16 0.00 4.64 -2.00 -1.02 113.55 114.81 1ab2 h SER 64 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1ab2 h SER 64 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ab2 h SER 64 CO 0.58 0.00 -0.08 -2.24 -0.87 0.00 0.00 176.83 174.23 1ab2 h ASP 65 N 0.00 -0.18 0.00 4.97 3.04 -2.05 -3.48 116.42 118.71 1ab2 h ASP 65 Ca 0.18 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 1ab2 h ASP 65 Cb 0.88 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.22 1ab2 h ASP 65 CO -0.00 0.36 0.00 0.61 -2.04 0.00 0.00 179.24 178.16 1ab2 n GLY 66 N 0.53 1.11 3.39 7.15 0.00 -0.39 -5.14 105.19 111.83 1ab2 n GLY 66 Ca -0.08 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 0.06 -3.54 1.61 5.02 -1.26 -4.42 118.16 115.63 1ab2 n LYS 67 Ca 0.00 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 1ab2 n LYS 67 Cb 0.00 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.69 5.27 -0.05 -0.35 1.43 0.60 -0.14 118.68 126.12 1ab2 s LEU 68 Ca 0.59 -1.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1ab2 s LEU 68 Cb -0.29 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 1ab2 s LEU 68 CO 0.64 -0.56 -0.17 -0.72 0.23 0.00 0.00 176.35 175.77 1ab2 s TYR 69 N 1.50 1.78 -0.08 0.29 1.13 -0.16 -0.10 117.35 121.72 1ab2 s TYR 69 Ca 0.03 -0.55 0.06 0.00 -1.41 0.00 0.00 57.07 55.20 1ab2 s TYR 69 Cb -0.23 -1.21 -0.24 0.00 -1.10 0.00 0.00 41.96 39.18 1ab2 s TYR 69 CO 0.04 -0.20 0.53 0.28 -2.51 0.00 0.00 175.55 173.68 1ab2 n VAL 70 N 3.25 1.66 0.00 -3.49 0.31 -1.26 -4.29 118.33 114.52 1ab2 n VAL 70 Ca -0.19 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.40 1ab2 n VAL 70 Cb 0.53 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 -3.19 0.00 0.00 4.52 2.88 -1.26 -4.89 113.62 111.68 1ab2 n SER 71 Ca -0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1ab2 n SER 71 Cb 1.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 1ab2 n SER 71 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ab2 n SER 72 N -0.27 0.00 -0.28 -3.46 7.64 -1.26 -4.92 113.62 111.07 1ab2 n SER 72 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1ab2 n SER 72 Cb 0.00 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 63.90 1ab2 n SER 72 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ab2 n GLU 73 N 0.00 1.38 -3.17 1.43 0.28 -1.26 -4.07 120.64 115.23 1ab2 n GLU 73 Ca 0.00 -0.56 -0.23 0.00 -0.16 0.00 0.00 57.16 56.21 1ab2 n GLU 73 Cb 0.00 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.33 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 -0.32 1.95 -4.84 -1.84 7.64 -1.26 -5.10 113.62 109.85 1ab2 n SER 74 Ca 0.21 -3.15 -0.35 0.00 1.01 0.00 0.00 58.87 56.59 1ab2 n SER 74 Cb 0.25 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.78 1ab2 n SER 74 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ab2 s ARG 75 N -2.36 4.05 0.28 1.43 0.52 -1.26 -4.20 118.95 117.42 1ab2 s ARG 75 Ca 0.41 0.61 0.05 0.00 -0.52 0.00 0.00 55.73 56.28 1ab2 s ARG 75 Cb 0.26 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 1ab2 s ARG 75 CO -0.09 0.38 0.19 1.19 0.02 0.00 0.00 175.30 176.99 1ab2 n PHE 76 N 0.48 -0.41 -0.08 -0.53 3.72 0.86 -4.95 117.46 116.55 1ab2 n PHE 76 Ca -0.02 -2.19 -0.16 0.00 -0.05 0.00 0.00 57.45 55.03 1ab2 n PHE 76 Cb 0.52 0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 39.16 1ab2 n PHE 76 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1ab2 n ASN 77 N -1.86 1.57 -4.56 4.37 0.23 -1.26 0.22 115.26 113.97 1ab2 n ASN 77 Ca 0.03 0.13 -0.33 0.00 -0.53 0.00 0.00 54.58 53.88 1ab2 n ASN 77 Cb 0.48 -0.43 -0.11 0.00 -2.08 0.00 0.00 39.78 37.64 1ab2 n ASN 77 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1ab2 s THR 78 N -2.31 3.55 0.29 5.53 2.01 -1.26 -4.33 115.64 119.12 1ab2 s THR 78 Ca -0.23 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1ab2 s THR 78 Cb 0.08 -2.45 0.34 0.00 0.01 0.00 0.00 72.50 70.48 1ab2 s THR 78 CO 0.31 0.56 1.62 0.17 -0.69 0.00 0.00 174.62 176.59 1ab2 h LEU 79 N 5.13 -0.23 -0.10 4.42 -0.00 -1.94 -0.30 115.31 122.29 1ab2 h LEU 79 Ca -0.48 0.23 0.01 0.00 -0.00 0.00 0.00 57.88 57.64 1ab2 h LEU 79 Cb 1.17 0.36 -0.02 0.00 -0.00 0.00 0.00 40.66 42.17 1ab2 h LEU 79 CO 0.52 -0.24 -0.13 0.00 -0.00 0.00 0.00 178.44 178.59 1ab2 h ALA 80 N 1.84 -0.39 -0.97 0.17 0.00 -1.99 0.85 119.26 118.76 1ab2 h ALA 80 Ca 0.55 0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.74 1ab2 h ALA 80 Cb 1.10 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1ab2 h ALA 80 CO -0.75 -0.45 0.97 0.93 0.00 0.00 0.00 179.25 179.94 1ab2 h GLU 81 N -0.09 0.00 0.51 0.00 4.39 -1.48 0.52 114.58 118.43 1ab2 h GLU 81 Ca 0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1ab2 h GLU 81 Cb 0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1ab2 h GLU 81 CO -0.14 0.00 -0.25 1.25 -1.16 0.00 0.00 179.01 178.71 1ab2 h LEU 82 N 0.00 -0.58 -1.05 1.33 6.46 0.12 -2.73 115.31 118.86 1ab2 h LEU 82 Ca 0.46 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 1ab2 h LEU 82 Cb 2.39 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 42.44 1ab2 h LEU 82 CO -0.00 -0.18 0.43 0.58 -0.62 0.00 0.00 178.44 178.65 1ab2 h VAL 83 N -1.11 1.23 -0.32 1.05 2.07 0.13 -1.50 116.25 117.80 1ab2 h VAL 83 Ca -0.07 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1ab2 h VAL 83 Cb 0.58 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 1ab2 h VAL 83 CO 0.12 0.26 -0.48 0.45 0.02 0.00 0.00 177.57 177.94 1ab2 h HIS 84 N 1.11 -1.46 -0.72 1.57 3.86 -0.20 0.45 115.15 119.76 1ab2 h HIS 84 Ca 0.28 0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1ab2 h HIS 84 Cb 0.02 0.68 -0.04 0.00 1.06 0.00 0.00 27.41 29.14 1ab2 h HIS 84 CO 0.01 -0.43 0.44 1.25 0.86 0.00 0.00 177.93 180.06 1ab2 h HIS 85 N -0.37 0.93 0.00 2.45 6.17 -1.28 0.24 115.15 123.29 1ab2 h HIS 85 Ca 0.06 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1ab2 h HIS 85 Cb 0.52 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1ab2 h HIS 85 CO -0.69 0.61 0.00 0.72 0.71 0.00 0.00 177.93 179.28 1ab2 n HIS 86 N -4.40 0.00 0.09 5.26 8.25 0.49 -1.31 115.22 123.60 1ab2 n HIS 86 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.36 1ab2 n HIS 86 Cb 0.06 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.06 1ab2 n HIS 86 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ab2 h SER 87 N 0.00 0.61 0.00 0.41 0.87 0.33 -3.33 113.55 112.44 1ab2 h SER 87 Ca 0.00 -0.58 -0.05 0.00 -1.23 0.00 0.00 61.79 59.92 1ab2 h SER 87 Cb 0.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1ab2 h SER 87 CO 0.00 1.42 -1.20 1.07 -0.53 0.00 0.00 176.83 177.58 1ab2 n THR 88 N -3.68 0.20 -3.65 2.23 5.66 -1.10 -4.62 114.28 109.33 1ab2 n THR 88 Ca -0.10 -0.12 -0.28 0.00 -3.05 0.00 0.00 64.05 60.50 1ab2 n THR 88 Cb 0.97 -0.88 -0.12 0.00 -1.55 0.00 0.00 70.33 68.74 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1ab2 s VAL 89 N -2.07 1.37 -0.69 1.08 1.01 -0.43 -5.01 120.40 115.66 1ab2 s VAL 89 Ca -0.02 -2.95 -0.15 0.00 0.00 0.00 0.00 61.98 58.86 1ab2 s VAL 89 Cb 0.01 -1.93 -0.12 0.00 0.00 0.00 0.00 36.38 34.33 1ab2 s VAL 89 CO 0.12 -1.03 1.88 0.00 0.00 0.00 0.00 175.10 176.06 1ab2 n ALA 90 N 2.98 3.40 0.49 5.51 0.00 -1.25 -3.81 120.51 127.82 1ab2 n ALA 90 Ca 0.18 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1ab2 n ALA 90 Cb 0.39 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.53 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 6.19 3.64 0.00 0.00 2.03 -1.26 -4.20 116.55 122.95 1ab2 n ASP 91 Ca 0.43 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.67 1ab2 n ASP 91 Cb 0.27 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 0.84 -1.66 3.77 0.27 0.00 -1.26 -4.05 105.19 103.10 1ab2 n GLY 92 Ca 0.00 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 1ab2 n GLY 92 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ab2 s LEU 93 N -3.02 4.28 0.00 0.99 2.34 -1.26 -4.90 118.68 117.11 1ab2 s LEU 93 Ca 0.00 2.51 0.00 0.00 0.06 0.00 0.00 54.13 56.70 1ab2 s LEU 93 Cb 0.00 -3.87 0.00 0.00 -0.56 0.00 0.00 46.19 41.76 1ab2 s LEU 93 CO 0.00 -0.65 0.43 0.00 -1.06 0.00 0.00 176.35 175.07 1ab2 n ILE 94 N 0.35 0.00 -1.06 1.48 3.06 -1.26 -4.68 119.36 117.24 1ab2 n ILE 94 Ca 0.03 0.93 -0.07 0.00 -2.50 0.00 0.00 62.75 61.14 1ab2 n ILE 94 Cb 0.44 -1.52 0.05 0.00 0.54 0.00 0.00 39.64 39.16 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 -0.78 0.00 0.00 9.51 5.66 -1.26 -4.92 114.28 122.49 1ab2 n THR 95 Ca 0.00 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1ab2 n THR 95 Cb 0.00 -1.67 0.00 0.00 -1.55 0.00 0.00 70.33 67.11 1ab2 n THR 95 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1ab2 n THR 96 N -2.58 0.00 -3.61 1.09 -2.24 -1.26 -4.82 114.28 100.86 1ab2 n THR 96 Ca 0.04 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 1ab2 n THR 96 Cb 0.13 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 1ab2 n THR 96 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1ab2 s LEU 97 N 0.00 -0.73 -0.39 3.22 0.05 -1.26 -4.90 118.68 114.67 1ab2 s LEU 97 Ca 0.00 1.11 0.11 0.00 0.05 0.00 0.00 54.13 55.40 1ab2 s LEU 97 Cb 0.00 1.99 0.35 0.00 -2.05 0.00 0.00 46.19 46.48 1ab2 s LEU 97 CO 0.00 -0.17 0.87 1.57 -0.55 0.00 0.00 176.35 178.07 1ab2 n HIS 98 N 4.30 -0.62 -2.72 3.48 -0.00 -1.26 -4.91 115.22 113.49 1ab2 n HIS 98 Ca -0.17 -3.22 -0.04 0.00 0.46 0.00 0.00 57.72 54.75 1ab2 n HIS 98 Cb 0.56 0.19 0.09 0.00 -0.12 0.00 0.00 29.99 30.71 1ab2 n HIS 98 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 1ab2 n TYR 99 N 0.24 -0.84 0.44 1.57 9.36 -1.26 -4.26 117.16 122.41 1ab2 n TYR 99 Ca 0.18 -2.03 0.00 0.00 3.32 0.00 0.00 57.90 59.37 1ab2 n TYR 99 Cb 0.69 0.83 0.00 0.00 -0.63 0.00 0.00 39.34 40.24 1ab2 n TYR 99 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ab2 n PRO 100 N -0.88 0.75 -2.63 2.98 -0.04 -1.26 -4.17 135.00 129.75 1ab2 n PRO 100 Ca -0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 1ab2 n PRO 100 Cb 0.84 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.32 3.43 -0.90 0.55 0.00 0.51 -4.34 121.76 121.32 1ab2 s ALA 101 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 1ab2 s ALA 101 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1ab2 s ALA 101 CO 0.00 -1.64 1.66 -1.25 0.00 0.00 0.00 175.76 174.53 1ab2 s PRO 102 N 3.82 3.05 1.15 0.00 0.04 -0.58 -4.34 135.00 138.15 1ab2 s PRO 102 Ca 0.46 -0.53 -0.18 0.00 0.04 0.00 0.00 61.00 60.80 1ab2 s PRO 102 Cb -0.11 -5.02 0.26 0.00 0.04 0.00 0.00 34.50 29.67 1ab2 s PRO 102 CO 0.19 -2.70 1.11 -1.59 0.04 0.00 0.00 177.00 174.04 1ab2 s LYS 103 N 6.05 -0.84 -0.01 4.56 0.00 -1.26 -5.01 119.74 123.23 1ab2 s LYS 103 Ca 0.56 0.07 0.02 0.00 0.00 0.00 0.00 55.97 56.62 1ab2 s LYS 103 Cb -0.05 -1.63 -0.02 0.00 0.00 0.00 0.00 37.83 36.13 1ab2 s LYS 103 CO -0.01 -3.48 0.01 0.54 0.00 0.00 0.00 175.35 172.41 1ab2 n ARG 104 N -4.62 3.03 0.00 1.78 1.74 -1.26 -5.04 116.66 112.29 1ab2 n ARG 104 Ca 0.11 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1ab2 n ARG 104 Cb 0.59 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 1ab2 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ab2 n GLY 105 N 2.80 0.00 3.75 -0.13 0.00 -1.26 -4.77 105.19 105.58 1ab2 n GLY 105 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1ab2 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ab2 s ILE 106 N 0.00 4.05 -1.27 -0.61 -1.16 -1.26 -4.96 121.20 115.99 1ab2 s ILE 106 Ca 0.00 2.07 -0.16 0.00 -0.51 0.00 0.00 60.65 62.05 1ab2 s ILE 106 Cb 0.00 -4.32 0.11 0.00 0.61 0.00 0.00 42.46 38.86 1ab2 s ILE 106 CO 0.00 0.50 1.66 0.00 -2.81 0.00 0.00 174.94 174.28 1ab2 n HIS 107 N 1.48 4.68 0.10 3.50 -0.00 -1.26 -4.20 115.22 119.53 1ab2 n HIS 107 Ca -0.02 -3.03 0.00 0.00 -0.00 0.00 0.00 57.72 54.67 1ab2 n HIS 107 Cb 0.47 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.00 1ab2 n HIS 107 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1ab2 n ARG 108 N 7.18 0.00 0.00 -1.40 0.00 -1.26 -5.23 116.66 115.95 1ab2 n ARG 108 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 1ab2 n ARG 108 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.90 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16