#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 6.73 0.00 1.61 1.04 -1.26 -4.70 113.70 117.12 1ab2 s SER 2 Ca 0.00 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1ab2 s SER 2 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1ab2 s SER 2 CO 0.00 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1ab2 n GLY 3 N 2.70 -1.29 3.22 7.32 0.00 -1.26 -5.13 105.19 110.74 1ab2 n GLY 3 Ca -0.10 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 1ab2 n GLY 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ab2 s ASN 4 N -3.90 1.26 0.22 1.61 2.47 -1.26 -5.17 114.94 110.18 1ab2 s ASN 4 Ca 0.00 -1.09 0.04 0.00 0.42 0.00 0.00 52.86 52.23 1ab2 s ASN 4 Cb 0.00 0.09 -0.05 0.00 -1.45 0.00 0.00 41.25 39.84 1ab2 s ASN 4 CO 0.00 -0.50 -0.02 -0.94 -3.72 0.00 0.00 177.10 171.92 1ab2 s SER 5 N -3.13 1.89 -1.79 -4.21 1.04 -1.26 -4.78 113.70 101.46 1ab2 s SER 5 Ca 0.19 -1.19 -0.21 0.00 0.48 0.00 0.00 55.95 55.21 1ab2 s SER 5 Cb 0.05 -0.00 0.20 0.00 0.10 0.00 0.00 66.02 66.36 1ab2 s SER 5 CO 0.00 -0.48 0.70 0.00 0.98 0.00 0.00 173.24 174.45 1ab2 n LEU 6 N -0.40 -1.30 -3.65 2.42 -0.00 -1.26 -4.45 117.00 108.36 1ab2 n LEU 6 Ca -0.06 -1.12 -0.42 0.00 -0.00 0.00 0.00 56.01 54.41 1ab2 n LEU 6 Cb 0.63 -1.86 -0.02 0.00 -0.00 0.00 0.00 43.42 42.17 1ab2 n LEU 6 CO 0.36 0.20 2.47 1.21 -0.00 0.00 0.00 177.39 181.64 1ab2 n GLU 7 N -4.24 2.31 0.00 1.47 2.13 -1.26 -4.35 120.64 116.70 1ab2 n GLU 7 Ca 0.10 -2.24 0.00 0.00 0.66 0.00 0.00 57.16 55.68 1ab2 n GLU 7 Cb 0.47 -3.09 0.00 0.00 0.27 0.00 0.00 31.44 29.09 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1ab2 n LYS 8 N 6.31 0.00 -0.87 5.31 4.81 -1.05 -4.90 118.16 127.77 1ab2 n LYS 8 Ca 0.52 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.68 1ab2 n LYS 8 Cb 0.38 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.67 1ab2 n LYS 8 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ab2 n HIS 9 N 0.00 -3.82 1.80 5.64 8.25 -1.26 -4.82 115.22 121.01 1ab2 n HIS 9 Ca 0.00 -0.91 0.10 0.00 -0.26 0.00 0.00 57.72 56.65 1ab2 n HIS 9 Cb 0.00 -1.08 0.57 0.00 1.12 0.00 0.00 29.99 30.59 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 -4.89 0.00 0.00 0.41 3.41 -1.26 -1.94 113.62 109.35 1ab2 n SER 10 Ca 0.14 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1ab2 n SER 10 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.83 0.00 -4.10 7.33 4.27 -1.26 -3.37 117.44 119.48 1ab2 n TRP 11 Ca 0.14 -0.06 -0.33 0.00 -3.89 0.00 0.00 57.50 53.37 1ab2 n TRP 11 Cb 0.07 -0.01 -0.16 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 -0.12 2.97 0.11 -2.67 6.14 -0.82 -2.11 117.35 120.85 1ab2 s TYR 12 Ca 0.00 -1.93 0.00 0.00 0.64 0.00 0.00 57.07 55.78 1ab2 s TYR 12 Cb 0.00 -1.92 0.00 0.00 0.42 0.00 0.00 41.96 40.46 1ab2 s TYR 12 CO 0.00 -0.84 0.00 -2.39 0.64 0.00 0.00 175.55 172.96 1ab2 n HIS 13 N 4.54 -0.33 -3.51 4.97 1.44 -1.26 -2.54 115.22 118.53 1ab2 n HIS 13 Ca -0.18 0.06 -0.10 0.00 -2.01 0.00 0.00 57.72 55.49 1ab2 n HIS 13 Cb 0.47 0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.63 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1ab2 s GLY 14 N -4.03 -0.46 -0.07 -1.39 0.00 -1.26 -4.08 107.32 96.03 1ab2 s GLY 14 Ca 0.00 1.15 -0.30 0.00 0.00 0.00 0.00 44.72 45.57 1ab2 s GLY 14 CO 0.00 0.48 1.23 2.56 0.00 0.00 0.00 173.10 177.37 1ab2 s PRO 15 N -2.71 4.32 0.20 2.90 0.04 -1.26 -4.82 135.00 133.67 1ab2 s PRO 15 Ca 0.02 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1ab2 s PRO 15 Cb -0.01 -3.60 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 1ab2 s PRO 15 CO -0.06 -0.51 0.39 0.08 0.04 0.00 0.00 177.00 176.94 1ab2 s VAL 16 N 2.50 0.03 0.49 -0.36 1.01 -1.26 -4.92 120.40 117.89 1ab2 s VAL 16 Ca 0.56 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1ab2 s VAL 16 Cb -0.25 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 1ab2 s VAL 16 CO 0.21 -0.15 1.05 -0.55 0.00 0.00 0.00 175.10 175.65 1ab2 s SER 17 N -2.97 6.29 0.53 3.32 0.15 -1.26 -3.43 113.70 116.33 1ab2 s SER 17 Ca 0.18 1.95 0.40 0.00 0.70 0.00 0.00 55.95 59.18 1ab2 s SER 17 Cb 0.01 -2.56 1.58 0.00 -1.71 0.00 0.00 66.02 63.34 1ab2 s SER 17 CO 0.03 -0.82 1.71 0.08 1.20 0.00 0.00 173.24 175.44 1ab2 h ARG 18 N 1.54 0.03 -0.59 5.44 0.11 -1.97 0.72 114.38 119.66 1ab2 h ARG 18 Ca -0.50 -0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.66 1ab2 h ARG 18 Cb 1.22 -0.01 -0.10 0.00 1.11 0.00 0.00 29.97 32.20 1ab2 h ARG 18 CO 0.59 0.02 -0.52 -0.91 0.10 0.00 0.00 179.97 179.25 1ab2 h ASN 19 N 0.03 -1.78 -0.52 0.08 2.35 -2.00 0.31 115.58 114.06 1ab2 h ASN 19 Ca 0.72 0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 56.64 1ab2 h ASN 19 Cb 2.77 0.77 -0.02 0.00 0.05 0.00 0.00 38.32 41.89 1ab2 h ASN 19 CO -0.07 -0.35 -0.01 0.00 -1.65 0.00 0.00 177.43 175.35 1ab2 h ALA 20 N 0.33 0.93 -0.77 -0.83 0.00 -1.22 -2.41 119.26 115.29 1ab2 h ALA 20 Ca 0.13 -0.30 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1ab2 h ALA 20 Cb 0.55 -0.21 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 1ab2 h ALA 20 CO -0.70 0.64 -0.09 0.00 0.00 0.00 0.00 179.25 179.10 1ab2 h ALA 21 N 1.09 0.67 -0.01 0.00 0.00 -0.19 1.84 119.26 122.66 1ab2 h ALA 21 Ca 0.16 0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 1ab2 h ALA 21 Cb 0.54 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1ab2 h ALA 21 CO 0.03 -0.43 -0.56 0.93 0.00 0.00 0.00 179.25 179.22 1ab2 h GLU 22 N 0.05 0.04 0.19 0.00 5.08 -0.51 -2.53 114.58 116.89 1ab2 h GLU 22 Ca 0.40 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1ab2 h GLU 22 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ab2 h GLU 22 CO -0.74 0.59 -0.09 -0.92 -1.00 0.00 0.00 179.01 176.85 1ab2 h TYR 23 N 0.03 -0.23 -0.63 4.33 3.20 0.16 -3.19 116.97 120.64 1ab2 h TYR 23 Ca -0.00 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.04 1ab2 h TYR 23 Cb 1.00 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1ab2 h TYR 23 CO 0.00 -0.14 0.71 1.37 -1.64 0.00 0.00 178.16 178.46 1ab2 h LEU 24 N -0.59 0.00 -9.23 2.82 8.10 0.22 -3.41 115.31 113.22 1ab2 h LEU 24 Ca -0.03 0.00 -0.69 0.00 0.11 0.00 0.00 57.88 57.27 1ab2 h LEU 24 Cb 0.19 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 40.44 1ab2 h LEU 24 CO 0.04 0.00 0.75 -0.11 -4.11 0.00 0.00 178.44 175.01 1ab2 n LEU 25 N -3.54 2.28 0.00 0.17 7.94 -0.95 -4.72 117.00 118.17 1ab2 n LEU 25 Ca 0.13 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 1ab2 n LEU 25 Cb 0.94 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.68 1ab2 n LEU 25 CO 0.26 -0.61 0.00 -1.20 -1.11 0.00 0.00 177.39 174.73 1ab2 n SER 26 N 4.29 0.00 0.07 1.96 7.64 -1.26 -4.90 113.62 121.41 1ab2 n SER 26 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1ab2 n SER 26 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1ab2 n SER 26 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ab2 n SER 27 N 0.00 -1.29 -3.14 6.43 3.41 -1.26 -5.08 113.62 112.69 1ab2 n SER 27 Ca 0.00 0.57 0.02 0.00 -0.26 0.00 0.00 58.87 59.20 1ab2 n SER 27 Cb 0.00 1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 65.45 1ab2 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ab2 s GLY 28 N -2.00 -1.29 0.48 5.00 0.00 -1.26 -4.87 107.32 103.38 1ab2 s GLY 28 Ca 0.00 0.63 0.06 0.00 0.00 0.00 0.00 44.72 45.42 1ab2 s GLY 28 CO 0.00 3.78 0.31 -0.42 0.00 0.00 0.00 173.10 176.77 1ab2 s ILE 29 N 2.13 2.01 -2.00 0.90 1.01 -1.26 -4.98 121.20 119.00 1ab2 s ILE 29 Ca 0.15 -1.55 0.20 0.00 0.00 0.00 0.00 60.65 59.45 1ab2 s ILE 29 Cb -0.04 -2.55 0.57 0.00 0.01 0.00 0.00 42.46 40.44 1ab2 s ILE 29 CO -0.13 0.00 1.62 -3.20 0.00 0.00 0.00 174.94 173.23 1ab2 n ASN 30 N -1.55 0.00 0.00 3.58 2.85 -1.26 -4.61 115.26 114.28 1ab2 n ASN 30 Ca -0.01 -0.86 0.00 0.00 -0.11 0.00 0.00 54.58 53.60 1ab2 n ASN 30 Cb 0.64 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.66 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ab2 n GLY 31 N 0.45 3.45 3.06 8.20 0.00 -1.26 -4.91 105.19 114.17 1ab2 n GLY 31 Ca 0.15 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.14 0.43 1.61 1.04 -1.06 -2.76 113.70 112.81 1ab2 s SER 32 Ca 0.00 0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.74 1ab2 s SER 32 Cb 0.00 0.33 -0.07 0.00 0.10 0.00 0.00 66.02 66.38 1ab2 s SER 32 CO 0.00 -0.12 0.02 -0.36 0.98 0.00 0.00 173.24 173.76 1ab2 s PHE 33 N -0.18 2.41 0.00 5.02 0.40 0.18 0.21 117.98 126.02 1ab2 s PHE 33 Ca -0.03 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1ab2 s PHE 33 Cb -0.02 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.74 1ab2 s PHE 33 CO 0.00 0.39 0.00 1.47 0.70 0.00 0.00 175.22 177.79 1ab2 n LEU 34 N -1.04 0.00 -3.77 -0.37 -0.00 0.17 -0.20 117.00 111.80 1ab2 n LEU 34 Ca -0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.76 1ab2 n LEU 34 Cb 0.67 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.92 1ab2 n LEU 34 CO 0.47 0.00 -0.36 -0.69 -0.00 0.00 0.00 177.39 176.81 1ab2 s VAL 35 N -2.63 0.09 0.37 1.47 1.01 -0.90 -2.59 120.40 117.23 1ab2 s VAL 35 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1ab2 s VAL 35 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 1ab2 s VAL 35 CO 0.00 0.16 0.04 -0.60 0.00 0.00 0.00 175.10 174.70 1ab2 s ARG 36 N 1.42 1.82 -0.12 2.72 6.06 -0.47 -4.78 118.95 125.61 1ab2 s ARG 36 Ca -0.04 -2.03 -0.02 0.00 -2.50 0.00 0.00 55.73 51.14 1ab2 s ARG 36 Cb -0.13 -1.21 -0.03 0.00 0.06 0.00 0.00 34.95 33.65 1ab2 s ARG 36 CO -0.03 -0.15 -0.05 -2.00 -2.50 0.00 0.00 175.30 170.57 1ab2 s GLU 37 N -3.81 3.29 0.68 5.12 2.12 -1.22 0.75 118.70 125.63 1ab2 s GLU 37 Ca 0.34 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.03 1ab2 s GLU 37 Cb 0.09 -2.77 0.17 0.00 0.26 0.00 0.00 34.13 31.87 1ab2 s GLU 37 CO 0.16 0.41 0.37 0.45 -0.54 0.00 0.00 175.26 176.12 1ab2 n SER 38 N 2.99 -2.79 0.00 -1.70 2.88 -1.00 -4.66 113.62 109.34 1ab2 n SER 38 Ca -0.18 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1ab2 n SER 38 Cb 0.53 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -3.08 0.00 -2.04 -1.46 1.02 -1.26 -4.75 120.64 109.07 1ab2 n GLU 39 Ca 0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 1ab2 n GLU 39 Cb 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.62 1ab2 n GLU 39 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ab2 s SER 40 N -1.00 4.96 0.10 1.62 0.01 -1.26 -4.88 113.70 113.25 1ab2 s SER 40 Ca 0.00 -1.47 0.06 0.00 1.31 0.00 0.00 55.95 55.85 1ab2 s SER 40 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1ab2 s SER 40 CO 0.00 -3.12 -0.15 -0.94 0.41 0.00 0.00 173.24 169.44 1ab2 s SER 41 N 6.87 1.93 0.00 2.44 1.04 -1.26 -5.01 113.70 119.70 1ab2 s SER 41 Ca 0.69 -0.71 0.16 0.00 0.48 0.00 0.00 55.95 56.57 1ab2 s SER 41 Cb -0.02 -0.07 0.94 0.00 0.10 0.00 0.00 66.02 66.97 1ab2 s SER 41 CO 0.11 -0.09 1.44 -0.81 0.98 0.00 0.00 173.24 174.87 1ab2 n PRO 42 N 0.94 0.75 0.00 4.02 -0.04 -1.26 -4.49 135.00 134.92 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 0.55 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.42 -0.48 3.86 0.55 0.00 -1.26 -5.17 105.19 103.11 1ab2 n GLY 43 Ca 0.12 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 3.22 0.04 1.61 1.11 -1.26 -5.07 119.66 119.31 1ab2 s GLN 44 Ca 0.00 -0.51 0.05 0.00 0.01 0.00 0.00 55.36 54.91 1ab2 s GLN 44 Cb 0.00 -2.93 -0.02 0.00 -1.01 0.00 0.00 33.01 29.05 1ab2 s GLN 44 CO 0.00 0.61 -0.15 0.50 0.01 0.00 0.00 175.29 176.26 1ab2 s ARG 45 N -2.32 0.96 0.41 2.91 3.00 -1.26 -2.39 118.95 120.25 1ab2 s ARG 45 Ca 0.31 -0.80 0.04 0.00 -1.00 0.00 0.00 55.73 54.28 1ab2 s ARG 45 Cb -0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 34.95 33.80 1ab2 s ARG 45 CO 0.24 0.24 0.04 -1.12 0.00 0.00 0.00 175.30 174.70 1ab2 s SER 46 N -1.23 3.30 -0.05 -2.12 0.01 0.23 -2.57 113.70 111.27 1ab2 s SER 46 Ca 0.02 -1.50 0.03 0.00 1.31 0.00 0.00 55.95 55.80 1ab2 s SER 46 Cb -0.08 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ab2 s SER 46 CO 0.01 -0.69 -0.13 -0.51 0.41 0.00 0.00 173.24 172.34 1ab2 s ILE 47 N -3.02 1.14 -0.36 1.44 1.10 -0.85 -1.36 121.20 119.29 1ab2 s ILE 47 Ca 0.26 -0.51 -0.03 0.00 -0.51 0.00 0.00 60.65 59.86 1ab2 s ILE 47 Cb 0.06 -1.03 0.08 0.00 0.15 0.00 0.00 42.46 41.73 1ab2 s ILE 47 CO 0.13 0.35 0.12 -0.44 -2.11 0.00 0.00 174.94 172.99 1ab2 s SER 48 N 0.47 5.15 -0.14 4.50 0.01 -1.07 -1.45 113.70 121.17 1ab2 s SER 48 Ca -0.11 -1.65 -0.08 0.00 1.31 0.00 0.00 55.95 55.43 1ab2 s SER 48 Cb -0.14 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1ab2 s SER 48 CO 0.03 -0.42 0.13 -0.76 0.41 0.00 0.00 173.24 172.63 1ab2 s LEU 49 N 1.22 4.30 -0.13 2.44 1.02 0.55 0.45 118.68 128.53 1ab2 s LEU 49 Ca 0.02 0.39 -0.03 0.00 0.02 0.00 0.00 54.13 54.54 1ab2 s LEU 49 Cb -0.21 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.90 1ab2 s LEU 49 CO -0.02 0.35 -0.01 -0.60 0.02 0.00 0.00 176.35 176.08 1ab2 s ARG 50 N -0.66 3.38 0.00 1.70 3.52 0.57 0.99 118.95 128.44 1ab2 s ARG 50 Ca 0.13 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1ab2 s ARG 50 Cb -0.12 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1ab2 s ARG 50 CO 0.02 0.45 0.00 0.66 -0.81 0.00 0.00 175.30 175.63 1ab2 n TYR 51 N 2.91 0.00 -0.44 5.12 4.02 0.56 -2.58 117.16 126.75 1ab2 n TYR 51 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.65 1ab2 n TYR 51 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.78 1ab2 n TYR 51 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ab2 n GLU 52 N 0.00 0.91 0.00 -0.72 1.02 -1.26 -3.42 120.64 117.17 1ab2 n GLU 52 Ca 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1ab2 n GLU 52 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 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 2.87 1.26 3.30 0.62 0.00 -1.26 -5.11 105.19 106.86 1ab2 n GLY 53 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1ab2 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ab2 s ARG 54 N -0.21 0.56 -0.16 1.61 6.06 -1.22 -5.15 118.95 120.43 1ab2 s ARG 54 Ca 0.00 0.36 0.01 0.00 -2.50 0.00 0.00 55.73 53.60 1ab2 s ARG 54 Cb 0.00 0.26 0.01 0.00 0.06 0.00 0.00 34.95 35.28 1ab2 s ARG 54 CO 0.00 -0.10 -0.19 0.54 -2.50 0.00 0.00 175.30 173.05 1ab2 s VAL 55 N -0.24 2.28 -0.20 7.11 0.11 -1.26 0.21 120.40 128.41 1ab2 s VAL 55 Ca -0.04 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.07 1ab2 s VAL 55 Cb -0.03 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1ab2 s VAL 55 CO 0.02 0.53 -0.01 -0.31 -3.33 0.00 0.00 175.10 172.01 1ab2 s TYR 56 N 0.99 3.03 -0.37 1.54 1.51 0.28 -4.93 117.35 119.41 1ab2 s TYR 56 Ca -0.02 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1ab2 s TYR 56 Cb -0.15 -2.07 0.08 0.00 -0.11 0.00 0.00 41.96 39.72 1ab2 s TYR 56 CO -0.05 -0.22 0.13 -1.01 -1.11 0.00 0.00 175.55 173.29 1ab2 s HIS 57 N 0.93 3.44 -0.21 2.71 3.76 -1.26 -0.33 115.29 124.34 1ab2 s HIS 57 Ca 0.01 -2.11 0.01 0.00 -0.15 0.00 0.00 55.06 52.83 1ab2 s HIS 57 Cb -0.14 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.82 1ab2 s HIS 57 CO 0.02 -0.89 -0.13 0.71 -0.85 0.00 0.00 174.74 173.60 1ab2 s TYR 58 N 1.21 2.67 0.30 1.40 1.51 -0.53 -4.94 117.35 118.98 1ab2 s TYR 58 Ca 0.03 -1.75 -0.28 0.00 -1.01 0.00 0.00 57.07 54.05 1ab2 s TYR 58 Cb -0.21 -1.76 -0.09 0.00 -0.11 0.00 0.00 41.96 39.78 1ab2 s TYR 58 CO -0.02 -0.78 1.04 -0.98 -1.11 0.00 0.00 175.55 173.69 1ab2 s ARG 59 N 1.31 4.59 0.54 -0.62 1.70 -1.26 -2.01 118.95 123.19 1ab2 s ARG 59 Ca -0.01 1.64 -0.07 0.00 -0.47 0.00 0.00 55.73 56.82 1ab2 s ARG 59 Cb -0.16 -3.04 -0.03 0.00 -0.57 0.00 0.00 34.95 31.15 1ab2 s ARG 59 CO -0.09 0.21 0.86 0.42 -1.08 0.00 0.00 175.30 175.63 1ab2 s ILE 60 N -1.31 4.57 0.46 4.99 1.01 -1.06 -4.96 121.20 124.91 1ab2 s ILE 60 Ca 0.47 0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1ab2 s ILE 60 Cb -0.27 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1ab2 s ILE 60 CO 0.35 -0.82 0.66 0.20 0.00 0.00 0.00 174.94 175.33 1ab2 s ASN 61 N -4.17 5.63 -0.00 3.58 0.01 -1.24 -4.80 114.94 113.94 1ab2 s ASN 61 Ca 0.50 0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.71 1ab2 s ASN 61 Cb -0.10 -1.14 -0.03 0.00 0.41 0.00 0.00 41.25 40.38 1ab2 s ASN 61 CO 0.47 -0.83 -0.09 -0.89 -1.51 0.00 0.00 177.10 174.25 1ab2 s THR 62 N -2.55 3.45 0.00 1.60 2.01 -1.26 -1.66 115.64 117.23 1ab2 s THR 62 Ca 0.52 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1ab2 s THR 62 Cb -0.10 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1ab2 s THR 62 CO 0.36 0.43 0.00 0.00 -0.69 0.00 0.00 174.62 174.72 1ab2 n ALA 63 N 1.71 0.00 -0.00 7.40 0.00 0.26 -4.76 120.51 125.12 1ab2 n ALA 63 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ab2 n ALA 63 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 0.00 -2.71 0.00 2.88 -1.26 -4.67 113.62 107.86 1ab2 n SER 64 Ca 0.00 1.00 -0.08 0.00 -1.33 0.00 0.00 58.87 58.46 1ab2 n SER 64 Cb 0.00 -0.50 0.10 0.00 -0.75 0.00 0.00 64.21 63.06 1ab2 n SER 64 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ab2 n ASP 65 N -2.19 -2.12 0.00 -3.46 -0.08 -1.26 -5.00 116.55 102.44 1ab2 n ASP 65 Ca 0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 54.79 50.15 1ab2 n ASP 65 Cb 0.00 1.54 0.00 0.00 2.34 0.00 0.00 41.12 45.00 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ab2 n GLY 66 N -0.02 -0.83 3.21 0.27 0.00 -1.26 -5.14 105.19 101.42 1ab2 n GLY 66 Ca 0.01 0.40 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.02 1.61 5.02 -1.26 -4.57 118.16 114.99 1ab2 n LYS 67 Ca 0.00 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 1ab2 n LYS 67 Cb 0.00 -1.15 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 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 4.99 2.93 -0.08 -0.35 1.43 0.45 0.90 118.68 128.94 1ab2 s LEU 68 Ca 0.53 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1ab2 s LEU 68 Cb -0.37 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1ab2 s LEU 68 CO 0.70 -0.10 -0.08 -0.72 0.23 0.00 0.00 176.35 176.38 1ab2 s TYR 69 N 1.28 1.32 0.02 0.29 1.13 -0.66 0.20 117.35 120.92 1ab2 s TYR 69 Ca -0.00 -0.56 -0.09 0.00 -1.41 0.00 0.00 57.07 55.01 1ab2 s TYR 69 Cb -0.16 -1.07 -0.31 0.00 -1.10 0.00 0.00 41.96 39.32 1ab2 s TYR 69 CO -0.07 -0.38 0.93 0.28 -2.51 0.00 0.00 175.55 173.81 1ab2 h VAL 70 N 6.11 1.23 0.00 -3.49 2.07 -1.81 -3.30 116.25 117.06 1ab2 h VAL 70 Ca -0.31 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.44 1ab2 h VAL 70 Cb 1.15 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1ab2 h VAL 70 CO 0.43 0.84 0.00 -0.24 0.02 0.00 0.00 177.57 178.62 1ab2 n SER 71 N -3.58 0.00 0.11 0.57 2.88 -1.26 -4.86 113.62 107.48 1ab2 n SER 71 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1ab2 n SER 71 Cb 1.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 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 0.00 -0.76 -1.02 -3.46 3.41 -1.26 -4.86 113.62 105.67 1ab2 n SER 72 Ca 0.00 0.39 0.08 0.00 -0.26 0.00 0.00 58.87 59.08 1ab2 n SER 72 Cb 0.00 0.87 0.24 0.00 -0.26 0.00 0.00 64.21 65.05 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 -3.12 2.38 -2.25 4.33 0.28 -1.26 -4.17 120.64 116.83 1ab2 n GLU 73 Ca 0.00 -1.92 -0.29 0.00 -0.16 0.00 0.00 57.16 54.78 1ab2 n GLU 73 Cb 0.00 -1.47 0.01 0.00 1.43 0.00 0.00 31.44 31.41 1ab2 n GLU 73 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ab2 n SER 74 N 0.97 5.39 -4.83 -1.84 3.41 -1.26 -5.04 113.62 110.42 1ab2 n SER 74 Ca 0.18 -3.75 -0.34 0.00 -0.26 0.00 0.00 58.87 54.69 1ab2 n SER 74 Cb 0.49 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1ab2 n SER 74 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ab2 s ARG 75 N -3.66 4.12 -0.05 4.33 0.52 -1.26 -3.83 118.95 119.13 1ab2 s ARG 75 Ca 0.50 0.75 -0.03 0.00 -0.52 0.00 0.00 55.73 56.43 1ab2 s ARG 75 Cb 0.41 -2.70 0.03 0.00 0.52 0.00 0.00 34.95 33.21 1ab2 s ARG 75 CO -0.18 0.30 0.12 -0.06 0.02 0.00 0.00 175.30 175.50 1ab2 s PHE 76 N -1.71 -0.13 -0.97 -0.53 0.08 0.53 -4.91 117.98 110.34 1ab2 s PHE 76 Ca 0.47 0.38 0.28 0.00 0.12 0.00 0.00 56.93 58.18 1ab2 s PHE 76 Cb -0.14 -0.06 0.98 0.00 -0.57 0.00 0.00 43.02 43.24 1ab2 s PHE 76 CO 0.19 -0.12 1.76 0.09 -0.10 0.00 0.00 175.22 177.04 1ab2 n ASN 77 N 3.80 0.22 -4.28 1.36 4.13 -1.26 0.17 115.26 119.39 1ab2 n ASN 77 Ca -0.22 0.30 -0.20 0.00 1.68 0.00 0.00 54.58 56.13 1ab2 n ASN 77 Cb 0.54 -0.30 -0.11 0.00 -1.54 0.00 0.00 39.78 38.36 1ab2 n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ab2 s THR 78 N -3.01 1.59 0.04 3.41 2.01 -1.26 -4.83 115.64 113.58 1ab2 s THR 78 Ca 0.13 -1.76 -0.32 0.00 0.31 0.00 0.00 61.69 60.05 1ab2 s THR 78 Cb 0.18 -1.65 -0.18 0.00 0.01 0.00 0.00 72.50 70.86 1ab2 s THR 78 CO 0.59 -0.31 1.37 -0.07 -0.69 0.00 0.00 174.62 175.51 1ab2 h LEU 79 N 3.52 -0.92 -0.19 4.42 4.07 -1.99 -2.66 115.31 121.57 1ab2 h LEU 79 Ca -0.42 0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.58 1ab2 h LEU 79 Cb 1.20 0.24 -0.03 0.00 1.08 0.00 0.00 40.66 43.14 1ab2 h LEU 79 CO 0.49 -0.58 -0.20 0.00 -1.08 0.00 0.00 178.44 177.07 1ab2 h ALA 80 N -1.15 -0.40 -1.76 1.53 0.00 -1.98 0.85 119.26 116.36 1ab2 h ALA 80 Ca -0.11 0.01 0.53 0.00 0.00 0.00 0.00 54.91 55.33 1ab2 h ALA 80 Cb 0.84 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 1ab2 h ALA 80 CO 0.18 -0.50 1.24 0.39 0.00 0.00 0.00 179.25 180.56 1ab2 n GLU 81 N -3.66 -0.01 0.04 0.00 4.71 -1.23 0.24 120.64 120.73 1ab2 n GLU 81 Ca -0.01 1.07 -0.02 0.00 -0.01 0.00 0.00 57.16 58.20 1ab2 n GLU 81 Cb 0.11 -2.38 -0.01 0.00 -1.01 0.00 0.00 31.44 28.16 1ab2 n GLU 81 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ab2 h LEU 82 N 0.00 -0.09 -1.34 -4.62 6.46 0.10 -2.85 115.31 112.98 1ab2 h LEU 82 Ca 0.89 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 58.74 1ab2 h LEU 82 Cb 3.40 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 43.30 1ab2 h LEU 82 CO -0.11 -0.02 0.52 0.58 -0.62 0.00 0.00 178.44 178.78 1ab2 h VAL 83 N -0.19 0.96 -0.47 1.05 2.07 0.73 0.13 116.25 120.55 1ab2 h VAL 83 Ca -0.01 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.34 1ab2 h VAL 83 Cb 0.08 0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 29.90 1ab2 h VAL 83 CO 0.02 0.14 -0.29 0.45 0.02 0.00 0.00 177.57 177.91 1ab2 h HIS 84 N 0.75 -0.77 -0.18 1.57 3.86 0.31 2.44 115.15 123.13 1ab2 h HIS 84 Ca 0.36 0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 59.43 1ab2 h HIS 84 Cb 0.41 0.41 0.01 0.00 1.06 0.00 0.00 27.41 29.29 1ab2 h HIS 84 CO -0.00 -0.35 -0.64 1.25 0.86 0.00 0.00 177.93 179.04 1ab2 h HIS 85 N -0.18 0.99 0.00 2.45 -0.00 -1.05 -2.65 115.15 114.71 1ab2 h HIS 85 Ca 0.21 -0.41 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1ab2 h HIS 85 Cb 0.52 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1ab2 h HIS 85 CO -0.54 1.23 0.00 0.72 -0.00 0.00 0.00 177.93 179.34 1ab2 n HIS 86 N -4.04 0.00 0.02 5.26 -0.00 0.38 -0.27 115.22 116.57 1ab2 n HIS 86 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.63 1ab2 n HIS 86 Cb 0.68 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.57 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 -0.51 0.83 0.00 0.41 2.88 0.81 -3.98 113.62 114.06 1ab2 n SER 87 Ca 0.00 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1ab2 n SER 87 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.91 0.00 -3.86 2.46 -2.24 -1.06 -4.63 114.28 102.05 1ab2 n THR 88 Ca -0.12 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.38 1ab2 n THR 88 Cb 0.88 -0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 1ab2 n THR 88 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ab2 n VAL 89 N -2.21 1.75 -2.00 2.28 0.31 0.63 -5.00 118.33 114.09 1ab2 n VAL 89 Ca 0.00 -4.91 -0.35 0.00 -0.01 0.00 0.00 64.34 59.07 1ab2 n VAL 89 Cb 0.34 -2.19 -0.04 0.00 -0.91 0.00 0.00 33.84 31.04 1ab2 n VAL 89 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ab2 n ALA 90 N 1.86 2.64 1.53 3.52 0.00 -1.25 -4.06 120.51 124.74 1ab2 n ALA 90 Ca 0.21 -3.29 0.12 0.00 0.00 0.00 0.00 53.44 50.48 1ab2 n ALA 90 Cb 0.36 -3.54 0.72 0.00 0.00 0.00 0.00 19.45 16.99 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 11.50 0.00 0.09 0.00 -0.08 -1.26 -4.16 116.55 122.64 1ab2 n ASP 91 Ca 0.47 -0.78 0.00 0.00 -1.51 0.00 0.00 54.79 52.97 1ab2 n ASP 91 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ab2 n GLY 92 N 0.53 -0.21 3.77 0.27 0.00 -1.26 -4.53 105.19 103.76 1ab2 n GLY 92 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.54 4.44 0.00 0.99 1.43 -1.26 -4.97 118.68 112.77 1ab2 s LEU 93 Ca 0.00 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1ab2 s LEU 93 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1ab2 s LEU 93 CO 0.00 -0.49 0.27 0.00 0.23 0.00 0.00 176.35 176.36 1ab2 n ILE 94 N 0.95 0.00 -1.85 -0.59 3.06 -1.26 -4.63 119.36 115.03 1ab2 n ILE 94 Ca 0.00 0.77 -0.29 0.00 -2.50 0.00 0.00 62.75 60.73 1ab2 n ILE 94 Cb 0.42 -1.57 0.09 0.00 0.54 0.00 0.00 39.64 39.12 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 -0.54 2.10 -0.36 9.51 -1.32 -1.26 -4.86 115.64 118.90 1ab2 s THR 95 Ca 0.00 0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.44 1ab2 s THR 95 Cb 0.00 -3.00 0.05 0.00 -1.51 0.00 0.00 72.50 68.04 1ab2 s THR 95 CO 0.00 -0.04 0.15 0.42 -2.21 0.00 0.00 174.62 172.94 1ab2 s THR 96 N -3.52 3.93 0.17 5.08 -4.23 -1.26 -4.89 115.64 110.91 1ab2 s THR 96 Ca 0.62 -1.20 -0.15 0.00 -1.18 0.00 0.00 61.69 59.78 1ab2 s THR 96 Cb -0.12 -3.28 -0.10 0.00 1.34 0.00 0.00 72.50 70.35 1ab2 s THR 96 CO 0.50 -0.28 0.20 0.00 -0.54 0.00 0.00 174.62 174.50 1ab2 n LEU 97 N 4.84 -1.16 0.02 4.79 -0.00 -1.26 -4.89 117.00 119.35 1ab2 n LEU 97 Ca -0.11 0.59 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1ab2 n LEU 97 Cb 0.44 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1ab2 n LEU 97 CO 0.34 -2.08 -0.23 1.41 -0.00 0.00 0.00 177.39 176.82 1ab2 n HIS 98 N -0.26 -0.26 -4.01 1.47 -0.00 -1.26 -4.88 115.22 106.02 1ab2 n HIS 98 Ca 0.09 0.05 -0.34 0.00 -0.00 0.00 0.00 57.72 57.52 1ab2 n HIS 98 Cb 0.19 0.19 -0.15 0.00 -0.00 0.00 0.00 29.99 30.22 1ab2 n HIS 98 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1ab2 s TYR 99 N -2.00 3.11 -0.95 4.41 1.51 -1.11 -4.97 117.35 117.35 1ab2 s TYR 99 Ca 0.00 -1.84 -0.24 0.00 -1.01 0.00 0.00 57.07 53.98 1ab2 s TYR 99 Cb 0.00 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1ab2 s TYR 99 CO 0.00 -0.80 1.68 -1.25 -1.11 0.00 0.00 175.55 174.08 1ab2 s PRO 100 N 1.24 3.08 -0.90 -1.71 0.04 -1.26 0.47 135.00 135.96 1ab2 s PRO 100 Ca -0.02 -0.67 -0.25 0.00 0.04 0.00 0.00 61.00 60.10 1ab2 s PRO 100 Cb -0.17 -5.17 -0.22 0.00 0.04 0.00 0.00 34.50 28.98 1ab2 s PRO 100 CO -0.05 -2.76 2.36 0.00 0.04 0.00 0.00 177.00 176.58 1ab2 n ALA 101 N 11.34 0.39 -1.55 8.56 0.00 0.73 -4.30 120.51 135.67 1ab2 n ALA 101 Ca 0.35 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 1ab2 n ALA 101 Cb 0.49 -2.07 0.13 0.00 0.00 0.00 0.00 19.45 18.00 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 7.83 1.34 -1.14 0.00 0.04 -1.22 -4.60 135.00 137.27 1ab2 s PRO 102 Ca 1.22 0.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.41 1ab2 s PRO 102 Cb -1.08 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 31.67 1ab2 s PRO 102 CO 0.45 -2.07 1.56 0.15 0.04 0.00 0.00 177.00 177.13 1ab2 s LYS 103 N -5.26 3.77 0.21 4.56 -0.14 -1.26 -4.86 119.74 116.76 1ab2 s LYS 103 Ca 0.63 -1.55 -0.30 0.00 -1.36 0.00 0.00 55.97 53.39 1ab2 s LYS 103 Cb -0.15 -5.41 -0.08 0.00 -1.68 0.00 0.00 37.83 30.52 1ab2 s LYS 103 CO 0.53 -2.20 1.00 1.03 -0.76 0.00 0.00 175.35 174.95 1ab2 s ARG 104 N 4.47 4.75 0.00 1.68 3.00 -1.26 -5.05 118.95 126.53 1ab2 s ARG 104 Ca 0.49 1.57 0.00 0.00 0.00 0.00 0.00 55.73 57.78 1ab2 s ARG 104 Cb 0.01 -3.29 0.00 0.00 0.00 0.00 0.00 34.95 31.68 1ab2 s ARG 104 CO -0.02 0.33 0.00 0.41 0.00 0.00 0.00 175.30 176.02 1ab2 n GLY 105 N 1.70 1.27 1.77 -3.53 0.00 -1.26 -5.07 105.19 100.08 1ab2 n GLY 105 Ca -0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1ab2 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ab2 n ILE 106 N 0.00 0.09 0.00 -0.61 0.13 -1.26 -5.08 119.36 112.63 1ab2 n ILE 106 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.68 1ab2 n ILE 106 Cb 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 39.64 38.40 1ab2 n ILE 106 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ab2 n HIS 107 N -2.83 0.00 -1.42 9.51 1.44 -1.26 -5.11 115.22 115.55 1ab2 n HIS 107 Ca 0.00 0.00 -0.60 0.00 -2.01 0.00 0.00 57.72 55.11 1ab2 n HIS 107 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 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 0.00 0.00 0.00 -1.40 3.00 -1.26 -5.37 116.66 111.63 1ab2 n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ab2 n ARG 108 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.05 1ab2 n ARG 108 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23