#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 -0.65 -0.29 1.61 4.64 -1.94 -3.32 113.55 113.60 1ab2 h SER 2 Ca 0.00 -0.03 -0.72 0.00 -0.47 0.00 0.00 61.79 60.57 1ab2 h SER 2 Cb 0.00 0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 1ab2 h SER 2 CO 0.00 -0.27 2.90 0.61 -0.87 0.00 0.00 176.83 179.20 1ab2 n GLY 3 N -0.50 4.43 0.00 -0.77 0.00 -1.26 -4.77 105.19 102.32 1ab2 n GLY 3 Ca -0.11 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 5.74 0.00 0.08 1.61 2.85 -1.25 -4.59 115.26 119.70 1ab2 n ASN 4 Ca 0.50 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.81 1ab2 n ASN 4 Cb 0.39 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.31 1ab2 n ASN 4 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1ab2 h SER 5 N 0.00 -1.53 -0.30 1.20 0.02 -1.86 -3.44 113.55 107.65 1ab2 h SER 5 Ca 0.00 0.17 0.22 0.00 -0.84 0.00 0.00 61.79 61.34 1ab2 h SER 5 Cb 0.00 0.57 -0.20 0.00 0.14 0.00 0.00 62.40 62.92 1ab2 h SER 5 CO 0.00 -0.51 0.04 -0.22 -1.14 0.00 0.00 176.83 175.00 1ab2 s LEU 6 N -9.86 -0.46 -1.24 5.07 2.96 -1.26 -5.06 118.68 108.84 1ab2 s LEU 6 Ca -0.15 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.75 1ab2 s LEU 6 Cb 0.06 1.32 -0.04 0.00 0.50 0.00 0.00 46.19 48.03 1ab2 s LEU 6 CO 0.57 -0.08 2.23 -0.62 -1.32 0.00 0.00 176.35 177.13 1ab2 n GLU 7 N 5.26 2.51 0.00 1.98 1.02 -1.26 -4.61 120.64 125.54 1ab2 n GLU 7 Ca 0.03 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 1ab2 n GLU 7 Cb 0.56 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 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 5.83 0.00 -1.89 3.49 0.00 -1.26 -4.92 118.16 119.40 1ab2 n LYS 8 Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.63 1ab2 n LYS 8 Cb 0.35 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.52 1ab2 n LYS 8 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ab2 n HIS 9 N 0.00 -3.54 0.42 5.64 8.25 -1.26 -4.92 115.22 119.80 1ab2 n HIS 9 Ca 0.00 -1.21 -0.04 0.00 -0.26 0.00 0.00 57.72 56.21 1ab2 n HIS 9 Cb 0.00 -0.75 0.02 0.00 1.12 0.00 0.00 29.99 30.39 1ab2 n HIS 9 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ab2 n SER 10 N -3.35 3.62 -0.42 0.41 7.64 -1.26 -2.53 113.62 117.73 1ab2 n SER 10 Ca 0.14 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1ab2 n SER 10 Cb 0.49 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1ab2 n SER 10 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1ab2 n TRP 11 N 0.45 0.00 -5.06 1.43 4.27 -1.21 -0.30 117.44 117.02 1ab2 n TRP 11 Ca 0.09 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.37 1ab2 n TRP 11 Cb 0.64 0.12 -0.15 0.00 -1.36 0.00 0.00 31.31 30.56 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 2.56 0.00 -2.67 5.04 -1.05 -4.25 117.35 116.98 1ab2 s TYR 12 Ca 0.00 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1ab2 s TYR 12 Cb 0.00 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.71 1ab2 s TYR 12 CO 0.00 0.03 0.00 -2.39 -1.34 0.00 0.00 175.55 171.85 1ab2 n HIS 13 N 2.53 0.00 -3.63 4.97 1.44 -1.26 -4.51 115.22 114.76 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 0.39 0.00 0.00 0.12 0.00 0.00 29.99 31.02 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 1.67 0.62 3.71 -1.39 0.00 -1.26 -4.35 105.19 104.18 1ab2 n GLY 14 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.11 4.43 -0.04 1.61 0.04 -1.26 -3.96 135.00 134.70 1ab2 s PRO 15 Ca 0.00 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 1ab2 s PRO 15 Cb 0.00 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1ab2 s PRO 15 CO 0.00 -0.27 0.35 0.08 0.04 0.00 0.00 177.00 177.20 1ab2 s VAL 16 N 1.24 0.04 0.20 -0.36 1.01 -1.26 -4.91 120.40 116.36 1ab2 s VAL 16 Ca 0.58 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1ab2 s VAL 16 Cb -0.28 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1ab2 s VAL 16 CO 0.28 -0.19 1.01 -0.94 0.00 0.00 0.00 175.10 175.26 1ab2 s SER 17 N -1.02 7.46 0.45 3.32 1.04 -1.26 -4.65 113.70 119.05 1ab2 s SER 17 Ca -0.11 2.00 0.30 0.00 0.48 0.00 0.00 55.95 58.63 1ab2 s SER 17 Cb -0.04 -2.61 1.41 0.00 0.10 0.00 0.00 66.02 64.88 1ab2 s SER 17 CO 0.04 -0.03 1.67 0.08 0.98 0.00 0.00 173.24 175.97 1ab2 h ARG 18 N 4.63 0.12 -0.90 4.02 0.11 -1.99 0.22 114.38 120.60 1ab2 h ARG 18 Ca -0.45 -0.01 0.15 0.00 0.10 0.00 0.00 59.98 59.77 1ab2 h ARG 18 Cb 1.21 -0.03 -0.15 0.00 1.11 0.00 0.00 29.97 32.11 1ab2 h ARG 18 CO 0.70 0.08 -0.36 -0.91 0.10 0.00 0.00 179.97 179.58 1ab2 h ASN 19 N 0.13 -1.32 -0.38 0.08 2.35 -1.99 0.75 115.58 115.19 1ab2 h ASN 19 Ca 0.76 0.29 -0.12 0.00 -0.55 0.00 0.00 56.30 56.68 1ab2 h ASN 19 Cb 2.45 0.70 -0.01 0.00 0.05 0.00 0.00 38.32 41.52 1ab2 h ASN 19 CO -0.31 -0.29 -0.24 0.00 -1.65 0.00 0.00 177.43 174.94 1ab2 h ALA 20 N 1.35 0.55 -0.17 -0.83 0.00 -0.94 -1.58 119.26 117.64 1ab2 h ALA 20 Ca 0.33 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ab2 h ALA 20 Cb 0.60 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1ab2 h ALA 20 CO -0.92 0.54 -0.28 0.00 0.00 0.00 0.00 179.25 178.58 1ab2 h ALA 21 N 0.79 -0.58 -0.00 0.00 0.00 0.56 2.51 119.26 122.54 1ab2 h ALA 21 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ab2 h ALA 21 Cb 0.81 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ab2 h ALA 21 CO 0.07 -0.70 0.00 1.05 0.00 0.00 0.00 179.25 179.66 1ab2 h GLU 22 N -0.23 0.00 0.01 0.00 4.11 -0.42 0.58 114.58 118.63 1ab2 h GLU 22 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1ab2 h GLU 22 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ab2 h GLU 22 CO -0.28 0.00 -0.00 -0.92 0.07 0.00 0.00 179.01 177.88 1ab2 h TYR 23 N 0.00 -0.01 0.00 2.06 5.03 0.57 -3.24 116.97 121.38 1ab2 h TYR 23 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1ab2 h TYR 23 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1ab2 h TYR 23 CO 0.00 -0.01 0.00 1.37 -1.32 0.00 0.00 178.16 178.20 1ab2 h LEU 24 N -0.02 0.00 -9.67 2.82 8.10 0.42 -3.43 115.31 113.52 1ab2 h LEU 24 Ca -0.00 0.00 -0.57 0.00 0.11 0.00 0.00 57.88 57.42 1ab2 h LEU 24 Cb 0.01 0.00 0.18 0.00 -0.44 0.00 0.00 40.66 40.41 1ab2 h LEU 24 CO 0.00 0.00 -0.29 -0.11 -4.11 0.00 0.00 178.44 173.93 1ab2 n LEU 25 N -2.41 1.39 0.00 0.17 7.94 0.20 -4.92 117.00 119.37 1ab2 n LEU 25 Ca -0.02 0.65 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1ab2 n LEU 25 Cb 0.05 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 42.75 1ab2 n LEU 25 CO 0.12 -2.86 0.00 -1.54 -1.11 0.00 0.00 177.39 171.99 1ab2 n SER 26 N -0.31 0.00 0.00 1.96 3.41 -1.26 -4.97 113.62 112.45 1ab2 n SER 26 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1ab2 n SER 26 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1ab2 n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ab2 n SER 27 N 0.00 0.00 -2.73 4.04 3.41 -1.26 -5.01 113.62 112.06 1ab2 n SER 27 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1ab2 n SER 27 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1ab2 n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ab2 n GLY 28 N 0.00 0.67 3.90 5.00 0.00 -1.26 -4.85 105.19 108.65 1ab2 n GLY 28 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ab2 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ab2 s ILE 29 N 0.24 3.42 -2.00 -0.61 -1.09 -1.26 -4.93 121.20 114.97 1ab2 s ILE 29 Ca 0.22 0.17 0.23 0.00 -2.23 0.00 0.00 60.65 59.04 1ab2 s ILE 29 Cb 0.30 -3.41 0.65 0.00 -1.58 0.00 0.00 42.46 38.42 1ab2 s ILE 29 CO -0.05 -0.47 1.78 -3.20 -1.23 0.00 0.00 174.94 171.76 1ab2 n ASN 30 N -2.80 0.00 0.00 3.58 2.85 -1.26 -4.61 115.26 113.01 1ab2 n ASN 30 Ca 0.06 -0.95 0.00 0.00 -0.11 0.00 0.00 54.58 53.58 1ab2 n ASN 30 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 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 0.62 0.61 2.81 8.20 0.00 -1.26 -4.98 105.19 111.19 1ab2 n GLY 31 Ca 0.17 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.57 1ab2 n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ab2 s SER 32 N 0.00 0.02 0.25 1.61 0.01 -1.05 -3.90 113.70 110.65 1ab2 s SER 32 Ca 0.00 0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.39 1ab2 s SER 32 Cb 0.00 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.17 1ab2 s SER 32 CO 0.00 -0.13 0.05 0.72 0.41 0.00 0.00 173.24 174.29 1ab2 s PHE 33 N 1.05 1.60 -0.23 2.43 -0.71 -1.26 0.64 117.98 121.49 1ab2 s PHE 33 Ca -0.09 -1.03 -0.03 0.00 -1.04 0.00 0.00 56.93 54.74 1ab2 s PHE 33 Cb -0.12 -0.96 0.12 0.00 -1.21 0.00 0.00 43.02 40.86 1ab2 s PHE 33 CO -0.04 -0.16 0.35 -0.51 -1.34 0.00 0.00 175.22 173.53 1ab2 s LEU 34 N -3.33 -0.54 0.29 -1.99 1.43 0.72 -4.66 118.68 110.60 1ab2 s LEU 34 Ca 0.33 0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1ab2 s LEU 34 Cb 0.07 0.99 -0.10 0.00 0.03 0.00 0.00 46.19 47.18 1ab2 s LEU 34 CO 0.11 -0.30 1.20 -0.69 0.23 0.00 0.00 176.35 176.90 1ab2 s VAL 35 N 2.51 3.16 0.40 -1.59 1.01 -1.26 -2.20 120.40 122.42 1ab2 s VAL 35 Ca 0.11 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.26 1ab2 s VAL 35 Cb -0.15 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1ab2 s VAL 35 CO -0.15 0.26 0.11 0.54 0.00 0.00 0.00 175.10 175.87 1ab2 n ARG 36 N 1.16 0.65 -4.75 2.72 3.00 -0.41 -4.77 116.66 114.25 1ab2 n ARG 36 Ca -0.00 -3.26 -0.24 0.00 -0.01 0.00 0.00 57.85 54.33 1ab2 n ARG 36 Cb 0.43 1.59 -0.15 0.00 0.00 0.00 0.00 32.46 34.34 1ab2 n ARG 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ab2 s GLU 37 N -3.50 1.36 0.09 5.56 2.02 -1.25 -0.14 118.70 122.83 1ab2 s GLU 37 Ca 0.16 -0.68 -0.32 0.00 0.02 0.00 0.00 54.97 54.15 1ab2 s GLU 37 Cb 0.01 -1.34 -0.11 0.00 0.10 0.00 0.00 34.13 32.79 1ab2 s GLU 37 CO 0.11 0.36 1.82 0.45 0.02 0.00 0.00 175.26 178.02 1ab2 n SER 38 N 2.46 3.81 -2.21 -0.19 2.88 -1.03 -4.15 113.62 115.20 1ab2 n SER 38 Ca -0.15 0.99 -0.19 0.00 -1.33 0.00 0.00 58.87 58.18 1ab2 n SER 38 Cb 0.54 -1.50 -0.08 0.00 -0.75 0.00 0.00 64.21 62.42 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 5.63 2.13 0.00 -1.46 1.02 -1.26 -3.57 120.64 123.13 1ab2 n GLU 39 Ca 0.19 -1.69 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 1ab2 n GLU 39 Cb 0.35 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ab2 n SER 40 N 1.41 0.00 -4.17 1.62 2.88 -1.26 -5.08 113.62 109.02 1ab2 n SER 40 Ca 0.42 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.58 1ab2 n SER 40 Cb 0.68 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.03 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ab2 s SER 41 N -0.83 5.45 0.00 -3.46 1.04 -1.23 -4.96 113.70 109.71 1ab2 s SER 41 Ca 0.00 -1.92 -0.03 0.00 0.48 0.00 0.00 55.95 54.49 1ab2 s SER 41 Cb 0.00 -1.91 -0.12 0.00 0.10 0.00 0.00 66.02 64.09 1ab2 s SER 41 CO 0.00 -0.59 2.29 -0.81 0.98 0.00 0.00 173.24 175.11 1ab2 n PRO 42 N 4.74 1.19 0.00 4.02 -0.04 -1.26 -2.71 135.00 140.94 1ab2 n PRO 42 Ca -0.05 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1ab2 n PRO 42 Cb 0.41 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 2.22 0.09 3.84 0.55 0.00 -1.26 -5.11 105.19 105.52 1ab2 n GLY 43 Ca 0.19 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1ab2 n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ab2 s GLN 44 N -1.00 3.11 0.21 1.61 0.00 -1.10 -5.08 119.66 117.41 1ab2 s GLN 44 Ca 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 55.36 54.72 1ab2 s GLN 44 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 33.01 30.19 1ab2 s GLN 44 CO 0.00 0.56 0.03 0.54 0.00 0.00 0.00 175.29 176.42 1ab2 n ARG 45 N 0.12 1.43 -4.30 9.60 3.00 -1.26 -2.45 116.66 122.80 1ab2 n ARG 45 Ca -0.07 -1.48 -0.16 0.00 -0.01 0.00 0.00 57.85 56.13 1ab2 n ARG 45 Cb 0.52 0.35 -0.10 0.00 0.00 0.00 0.00 32.46 33.23 1ab2 n ARG 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ab2 s SER 46 N -2.17 1.50 -0.06 0.55 1.04 0.80 0.00 113.70 115.36 1ab2 s SER 46 Ca 0.03 -1.24 -0.01 0.00 0.48 0.00 0.00 55.95 55.20 1ab2 s SER 46 Cb -0.00 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1ab2 s SER 46 CO 0.02 -0.58 0.01 -0.63 0.98 0.00 0.00 173.24 173.03 1ab2 s ILE 47 N -3.57 0.28 -0.11 -1.02 1.09 -0.48 -1.29 121.20 116.10 1ab2 s ILE 47 Ca 0.29 0.16 0.03 0.00 -1.10 0.00 0.00 60.65 60.03 1ab2 s ILE 47 Cb 0.06 -0.44 -0.00 0.00 -1.06 0.00 0.00 42.46 41.02 1ab2 s ILE 47 CO 0.08 0.23 -0.21 -0.44 -0.10 0.00 0.00 174.94 174.50 1ab2 s SER 48 N 1.84 3.32 0.10 3.58 0.01 -0.94 0.76 113.70 122.38 1ab2 s SER 48 Ca 0.02 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1ab2 s SER 48 Cb -0.12 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1ab2 s SER 48 CO -0.04 0.16 -0.07 -0.22 0.41 0.00 0.00 173.24 173.47 1ab2 s LEU 49 N 0.37 2.50 0.01 2.44 2.96 0.07 0.26 118.68 127.28 1ab2 s LEU 49 Ca -0.16 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 1ab2 s LEU 49 Cb -0.17 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 1ab2 s LEU 49 CO 0.08 -0.43 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.05 1ab2 s ARG 50 N -3.68 0.21 0.00 1.98 3.52 0.21 0.20 118.95 121.39 1ab2 s ARG 50 Ca 0.11 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1ab2 s ARG 50 Cb 0.04 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1ab2 s ARG 50 CO -0.04 -0.01 0.00 0.98 -0.81 0.00 0.00 175.30 175.42 1ab2 n TYR 51 N 2.30 0.00 0.00 5.12 4.19 -1.13 -2.53 117.16 125.11 1ab2 n TYR 51 Ca -0.18 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.03 1ab2 n TYR 51 Cb 0.57 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.40 1ab2 n TYR 51 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1ab2 n GLU 52 N 0.00 0.00 -2.04 2.98 -0.58 -1.26 -4.21 120.64 115.53 1ab2 n GLU 52 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1ab2 n GLU 52 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ab2 n GLY 53 N 2.00 6.36 3.22 0.62 0.00 -1.26 -4.60 105.19 111.53 1ab2 n GLY 53 Ca 0.00 -2.66 -0.13 0.00 0.00 0.00 0.00 46.02 43.23 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 -3.60 0.57 -0.11 1.61 1.81 -1.26 -5.16 118.95 112.80 1ab2 s ARG 54 Ca 0.51 -0.03 -0.03 0.00 -1.72 0.00 0.00 55.73 54.45 1ab2 s ARG 54 Cb 0.41 0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 35.13 1ab2 s ARG 54 CO 0.03 -0.14 0.01 0.54 -0.68 0.00 0.00 175.30 175.07 1ab2 s VAL 55 N -0.91 4.36 -0.11 3.52 0.11 -1.26 -2.85 120.40 123.25 1ab2 s VAL 55 Ca -0.10 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1ab2 s VAL 55 Cb -0.05 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 1ab2 s VAL 55 CO 0.03 0.57 0.00 -0.31 -3.33 0.00 0.00 175.10 172.06 1ab2 s TYR 56 N -0.49 3.15 -0.31 1.54 2.02 0.54 -4.98 117.35 118.83 1ab2 s TYR 56 Ca 0.09 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.89 1ab2 s TYR 56 Cb -0.12 -1.87 0.08 0.00 -0.40 0.00 0.00 41.96 39.65 1ab2 s TYR 56 CO 0.02 0.32 -0.01 -1.01 -1.57 0.00 0.00 175.55 173.30 1ab2 s HIS 57 N -0.44 3.50 -0.53 2.71 3.76 -1.26 -0.76 115.29 122.27 1ab2 s HIS 57 Ca 0.08 -2.57 0.03 0.00 -0.15 0.00 0.00 55.06 52.45 1ab2 s HIS 57 Cb -0.12 -2.45 0.13 0.00 1.11 0.00 0.00 32.58 31.25 1ab2 s HIS 57 CO 0.02 -0.91 0.28 -0.47 -0.85 0.00 0.00 174.74 172.81 1ab2 s TYR 58 N 1.04 3.21 0.96 1.40 5.04 0.23 -4.99 117.35 124.23 1ab2 s TYR 58 Ca 0.01 -3.13 -0.11 0.00 -2.44 0.00 0.00 57.07 51.40 1ab2 s TYR 58 Cb -0.20 -2.86 0.13 0.00 0.35 0.00 0.00 41.96 39.37 1ab2 s TYR 58 CO -0.06 -0.75 0.88 2.89 -1.34 0.00 0.00 175.55 177.17 1ab2 n ARG 59 N 3.15 -0.61 -1.66 4.97 1.85 -1.26 -1.38 116.66 121.71 1ab2 n ARG 59 Ca 0.05 -0.12 -0.31 0.00 -1.00 0.00 0.00 57.85 56.47 1ab2 n ARG 59 Cb 0.33 -2.19 0.04 0.00 -1.05 0.00 0.00 32.46 29.59 1ab2 n ARG 59 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ab2 s ILE 60 N -2.54 3.94 0.03 8.89 -1.09 0.10 -4.69 121.20 125.84 1ab2 s ILE 60 Ca 0.64 0.69 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 1ab2 s ILE 60 Cb -0.22 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1ab2 s ILE 60 CO 0.62 -0.76 -0.05 0.20 -1.23 0.00 0.00 174.94 173.72 1ab2 s ASN 61 N -3.53 0.46 0.04 3.58 0.01 -1.25 -4.86 114.94 109.39 1ab2 s ASN 61 Ca 0.60 -0.53 0.05 0.00 -0.71 0.00 0.00 52.86 52.27 1ab2 s ASN 61 Cb -0.15 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 1ab2 s ASN 61 CO 0.51 -0.27 -0.08 -0.89 -1.51 0.00 0.00 177.10 174.86 1ab2 s THR 62 N -1.48 3.55 -0.04 1.60 2.01 -1.26 -1.08 115.64 118.95 1ab2 s THR 62 Ca -0.14 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.82 1ab2 s THR 62 Cb -0.10 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.77 1ab2 s THR 62 CO -0.01 0.29 0.49 0.00 -0.69 0.00 0.00 174.62 174.71 1ab2 h ALA 63 N 4.19 -0.44 0.00 7.40 0.00 -1.52 -3.47 119.26 125.43 1ab2 h ALA 63 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1ab2 h ALA 63 Cb 1.17 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ab2 h ALA 63 CO 0.53 -0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 1ab2 n SER 64 N -4.45 0.00 0.04 0.00 3.41 -1.26 -4.98 113.62 106.38 1ab2 n SER 64 Ca -0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 1ab2 n SER 64 Cb 0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1ab2 n SER 64 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ab2 h ASP 65 N 0.00 -0.13 0.00 4.04 3.32 -2.04 -3.47 116.42 118.14 1ab2 h ASP 65 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1ab2 h ASP 65 Cb 0.00 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ab2 h ASP 65 CO 0.00 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 1ab2 n GLY 66 N 0.16 0.43 3.58 2.75 0.00 -1.26 -5.14 105.19 105.72 1ab2 n GLY 66 Ca -0.09 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 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 1.28 -3.77 1.61 4.01 -1.26 -4.72 118.16 115.31 1ab2 n LYS 67 Ca 0.00 0.45 -0.37 0.00 -0.51 0.00 0.00 58.31 57.88 1ab2 n LYS 67 Cb 0.00 -1.83 -0.13 0.00 -0.51 0.00 0.00 35.03 32.57 1ab2 n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ab2 s LEU 68 N 0.59 3.87 0.12 -0.35 1.02 0.31 -1.40 118.68 122.84 1ab2 s LEU 68 Ca 0.61 -0.77 0.07 0.00 0.02 0.00 0.00 54.13 54.06 1ab2 s LEU 68 Cb -0.73 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 1ab2 s LEU 68 CO 0.58 -0.20 -0.10 -0.72 0.02 0.00 0.00 176.35 175.93 1ab2 s TYR 69 N 1.48 2.72 -0.15 0.29 -0.85 -0.24 0.18 117.35 120.78 1ab2 s TYR 69 Ca 0.02 -0.17 0.07 0.00 -0.52 0.00 0.00 57.07 56.47 1ab2 s TYR 69 Cb -0.17 -1.41 -0.23 0.00 0.38 0.00 0.00 41.96 40.53 1ab2 s TYR 69 CO 0.02 0.44 0.25 0.28 -1.52 0.00 0.00 175.55 175.02 1ab2 n VAL 70 N 0.58 1.57 -0.04 -3.49 0.31 -1.21 -3.76 118.33 112.30 1ab2 n VAL 70 Ca -0.13 -0.73 -0.04 0.00 -0.01 0.00 0.00 64.34 63.43 1ab2 n VAL 70 Cb 0.53 -1.14 -0.01 0.00 -0.91 0.00 0.00 33.84 32.30 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 -3.12 0.88 0.00 4.52 2.88 -1.26 -4.85 113.62 112.67 1ab2 n SER 71 Ca -0.31 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1ab2 n SER 71 Cb 1.07 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -3.38 0.00 -0.28 -3.46 3.41 -1.26 -4.92 113.62 103.72 1ab2 n SER 72 Ca -0.06 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 1ab2 n SER 72 Cb 0.22 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.62 1ab2 n SER 72 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ab2 n GLU 73 N 0.00 1.02 -3.86 4.33 0.28 -1.26 -4.46 120.64 116.69 1ab2 n GLU 73 Ca 0.00 -0.57 -0.28 0.00 -0.16 0.00 0.00 57.16 56.15 1ab2 n GLU 73 Cb 0.00 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.26 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 -2.37 4.41 0.10 -1.84 0.01 -1.26 -5.09 113.70 107.66 1ab2 s SER 74 Ca 0.28 -3.59 -0.09 0.00 1.31 0.00 0.00 55.95 53.86 1ab2 s SER 74 Cb 0.20 -1.51 -0.06 0.00 0.21 0.00 0.00 66.02 64.86 1ab2 s SER 74 CO 0.47 -0.13 0.42 -0.13 0.41 0.00 0.00 173.24 174.28 1ab2 s ARG 75 N -1.05 3.76 -0.01 12.44 0.52 -1.26 -3.32 118.95 130.03 1ab2 s ARG 75 Ca 0.24 0.17 -0.00 0.00 -0.52 0.00 0.00 55.73 55.61 1ab2 s ARG 75 Cb -0.09 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.45 1ab2 s ARG 75 CO -0.13 0.52 0.03 -0.06 0.02 0.00 0.00 175.30 175.68 1ab2 s PHE 76 N -1.47 -0.00 0.03 -0.53 0.08 0.47 -4.82 117.98 111.74 1ab2 s PHE 76 Ca 0.35 0.09 -0.16 0.00 0.12 0.00 0.00 56.93 57.33 1ab2 s PHE 76 Cb -0.14 -0.10 -0.31 0.00 -0.57 0.00 0.00 43.02 41.91 1ab2 s PHE 76 CO 0.19 -0.05 1.05 -0.91 -0.10 0.00 0.00 175.22 175.40 1ab2 h ASN 77 N 6.64 0.81 -3.78 1.36 4.21 -1.90 0.88 115.58 123.81 1ab2 h ASN 77 Ca -0.34 -0.87 -0.68 0.00 1.21 0.00 0.00 56.30 55.63 1ab2 h ASN 77 Cb 1.17 -0.26 -0.19 0.00 -1.12 0.00 0.00 38.32 37.92 1ab2 h ASN 77 CO 0.49 1.60 -0.74 0.42 -1.29 0.00 0.00 177.43 177.91 1ab2 s THR 78 N -2.81 3.31 0.23 2.81 -4.23 -1.26 -4.76 115.64 108.93 1ab2 s THR 78 Ca -0.10 -0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 1ab2 s THR 78 Cb 0.04 -2.41 0.21 0.00 1.34 0.00 0.00 72.50 71.68 1ab2 s THR 78 CO 0.92 0.41 1.69 0.25 -0.54 0.00 0.00 174.62 177.35 1ab2 h LEU 79 N 4.66 -0.02 -0.08 4.79 7.12 -1.97 -1.95 115.31 127.87 1ab2 h LEU 79 Ca -0.48 0.13 0.01 0.00 0.13 0.00 0.00 57.88 57.68 1ab2 h LEU 79 Cb 1.16 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.46 1ab2 h LEU 79 CO 0.51 -0.02 -0.18 0.00 -0.13 0.00 0.00 178.44 178.62 1ab2 h ALA 80 N 1.56 -0.54 -1.25 1.25 0.00 -1.98 0.77 119.26 119.08 1ab2 h ALA 80 Ca 0.37 -0.01 0.42 0.00 0.00 0.00 0.00 54.91 55.69 1ab2 h ALA 80 Cb 0.60 0.76 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1ab2 h ALA 80 CO -0.47 -0.61 0.79 0.93 0.00 0.00 0.00 179.25 179.89 1ab2 h GLU 81 N -0.17 0.10 -0.18 0.00 5.08 -1.80 1.84 114.58 119.46 1ab2 h GLU 81 Ca 0.02 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1ab2 h GLU 81 Cb 0.21 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ab2 h GLU 81 CO -0.16 0.07 -0.27 1.25 -1.00 0.00 0.00 179.01 178.89 1ab2 h LEU 82 N 0.10 0.55 -0.47 1.33 6.46 0.14 -2.68 115.31 120.74 1ab2 h LEU 82 Ca 0.81 -0.52 -0.09 0.00 -0.12 0.00 0.00 57.88 57.96 1ab2 h LEU 82 Cb 2.44 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 42.20 1ab2 h LEU 82 CO -0.47 0.96 -0.05 0.58 -0.62 0.00 0.00 178.44 178.84 1ab2 h VAL 83 N 0.14 1.27 -0.35 1.05 2.07 0.84 0.71 116.25 121.97 1ab2 h VAL 83 Ca 0.02 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.47 1ab2 h VAL 83 Cb 0.85 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 1ab2 h VAL 83 CO 0.06 0.40 -0.25 -0.74 0.02 0.00 0.00 177.57 177.06 1ab2 h HIS 84 N 0.72 -0.65 -0.11 1.57 2.76 0.18 2.30 115.15 121.92 1ab2 h HIS 84 Ca 0.13 0.05 -0.19 0.00 -2.20 0.00 0.00 60.37 58.16 1ab2 h HIS 84 Cb 0.58 0.34 0.01 0.00 1.55 0.00 0.00 27.41 29.89 1ab2 h HIS 84 CO 0.04 -0.32 -0.66 1.25 -1.30 0.00 0.00 177.93 176.94 1ab2 h HIS 85 N -0.20 0.88 0.00 5.26 -0.00 -1.35 -2.77 115.15 116.97 1ab2 h HIS 85 Ca 0.17 -0.40 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 1ab2 h HIS 85 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1ab2 h HIS 85 CO -0.45 1.21 0.00 0.72 -0.00 0.00 0.00 177.93 179.40 1ab2 n HIS 86 N -4.08 0.00 -0.03 5.26 -0.00 0.24 0.11 115.22 116.72 1ab2 n HIS 86 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.70 1ab2 n HIS 86 Cb 0.68 -0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.51 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 -0.48 0.28 0.00 0.41 2.88 0.77 -3.03 113.62 114.45 1ab2 n SER 87 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ab2 n SER 87 Cb 0.01 1.74 0.00 0.00 -0.75 0.00 0.00 64.21 65.21 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 -2.32 0.00 -3.72 2.46 -2.24 -0.96 -4.75 114.28 102.75 1ab2 n THR 88 Ca -0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 1ab2 n THR 88 Cb 0.66 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.58 1.66 -1.27 2.28 1.01 0.30 -5.03 120.40 117.77 1ab2 s VAL 89 Ca 0.00 -3.06 -0.19 0.00 0.00 0.00 0.00 61.98 58.73 1ab2 s VAL 89 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1ab2 s VAL 89 CO 0.00 -0.98 1.81 0.00 0.00 0.00 0.00 175.10 175.93 1ab2 n ALA 90 N 2.99 3.23 0.94 5.51 0.00 -1.23 -3.93 120.51 128.01 1ab2 n ALA 90 Ca 0.15 -3.65 0.10 0.00 0.00 0.00 0.00 53.44 50.04 1ab2 n ALA 90 Cb 0.37 -3.58 0.51 0.00 0.00 0.00 0.00 19.45 16.75 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 9.68 0.00 0.00 0.00 2.03 -1.26 -4.15 116.55 122.84 1ab2 n ASP 91 Ca 0.48 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1ab2 n ASP 91 Cb 0.46 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.47 0.05 3.77 0.27 0.00 -1.26 -4.57 105.19 103.91 1ab2 n GLY 92 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.82 4.39 0.00 0.99 2.34 -1.26 -4.85 118.68 115.47 1ab2 s LEU 93 Ca 0.00 2.60 0.00 0.00 0.06 0.00 0.00 54.13 56.79 1ab2 s LEU 93 Cb 0.00 -3.72 0.00 0.00 -0.56 0.00 0.00 46.19 41.91 1ab2 s LEU 93 CO 0.00 -0.55 0.33 0.00 -1.06 0.00 0.00 176.35 175.07 1ab2 n ILE 94 N 0.67 0.00 -0.15 1.48 3.06 -1.26 -4.64 119.36 118.52 1ab2 n ILE 94 Ca 0.01 0.83 0.00 0.00 -2.50 0.00 0.00 62.75 61.09 1ab2 n ILE 94 Cb 0.43 -1.45 0.00 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 -0.59 0.00 -4.33 9.51 5.66 -1.26 -4.82 114.28 118.45 1ab2 n THR 95 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1ab2 n THR 95 Cb 0.00 -1.62 -0.17 0.00 -1.55 0.00 0.00 70.33 66.99 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 -0.18 1.30 -0.03 1.09 -4.23 -1.26 -4.64 115.64 107.68 1ab2 s THR 96 Ca 0.00 -0.52 -0.37 0.00 -1.18 0.00 0.00 61.69 59.62 1ab2 s THR 96 Cb 0.00 -1.21 -0.18 0.00 1.34 0.00 0.00 72.50 72.44 1ab2 s THR 96 CO 0.00 0.40 1.01 0.00 -0.54 0.00 0.00 174.62 175.50 1ab2 n LEU 97 N 4.31 0.06 -2.75 4.79 -0.00 -1.17 -4.86 117.00 117.38 1ab2 n LEU 97 Ca -0.18 1.07 -0.04 0.00 -0.00 0.00 0.00 56.01 56.85 1ab2 n LEU 97 Cb 0.51 -0.84 0.04 0.00 -0.00 0.00 0.00 43.42 43.13 1ab2 n LEU 97 CO 0.22 -1.69 -0.03 1.57 -0.00 0.00 0.00 177.39 177.46 1ab2 n HIS 98 N 1.52 1.03 -2.91 1.47 -0.00 -1.25 -4.83 115.22 110.25 1ab2 n HIS 98 Ca 0.19 -2.41 -0.13 0.00 0.46 0.00 0.00 57.72 55.83 1ab2 n HIS 98 Cb 0.07 -0.21 0.04 0.00 -0.12 0.00 0.00 29.99 29.77 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 -0.39 -1.73 -0.78 1.57 9.36 -1.26 -4.74 117.16 119.19 1ab2 n TYR 99 Ca 0.07 -2.76 -0.12 0.00 3.32 0.00 0.00 57.90 58.40 1ab2 n TYR 99 Cb 0.81 0.83 -0.11 0.00 -0.63 0.00 0.00 39.34 40.25 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 0.43 1.70 -2.17 2.98 -0.04 -1.26 -4.79 135.00 131.85 1ab2 n PRO 100 Ca 0.13 -0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 62.25 1ab2 n PRO 100 Cb 0.68 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 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 1.74 3.26 0.58 0.55 0.00 0.59 -4.44 121.76 124.04 1ab2 s ALA 101 Ca 0.50 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 1ab2 s ALA 101 Cb 0.22 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1ab2 s ALA 101 CO -0.01 -1.97 1.05 -1.25 0.00 0.00 0.00 175.76 173.58 1ab2 s PRO 102 N 4.65 3.40 0.10 0.00 0.04 0.55 -3.32 135.00 140.43 1ab2 s PRO 102 Ca 0.69 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1ab2 s PRO 102 Cb -0.23 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1ab2 s PRO 102 CO 0.28 -0.74 0.26 0.15 0.04 0.00 0.00 177.00 177.00 1ab2 s LYS 103 N -4.08 3.47 -0.18 4.56 -0.14 -1.26 -4.96 119.74 117.15 1ab2 s LYS 103 Ca 0.63 -0.43 -0.29 0.00 -1.36 0.00 0.00 55.97 54.52 1ab2 s LYS 103 Cb -0.15 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.00 1ab2 s LYS 103 CO 0.36 0.55 1.28 -0.98 -0.76 0.00 0.00 175.35 175.81 1ab2 s ARG 104 N -2.77 4.19 0.00 1.68 1.70 -1.26 -5.01 118.95 117.48 1ab2 s ARG 104 Ca 0.36 1.63 0.00 0.00 -0.47 0.00 0.00 55.73 57.25 1ab2 s ARG 104 Cb -0.12 -3.78 0.00 0.00 -0.57 0.00 0.00 34.95 30.47 1ab2 s ARG 104 CO 0.28 -0.76 0.00 0.41 -1.08 0.00 0.00 175.30 174.15 1ab2 n GLY 105 N 3.71 0.98 2.30 3.88 0.00 -1.26 -5.00 105.19 109.79 1ab2 n GLY 105 Ca 0.14 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.06 3.06 -3.76 -0.61 3.06 -1.26 -4.94 119.36 114.85 1ab2 n ILE 106 Ca 0.00 -3.82 -0.28 0.00 -2.50 0.00 0.00 62.75 56.15 1ab2 n ILE 106 Cb 0.00 -1.18 0.01 0.00 0.54 0.00 0.00 39.64 39.01 1ab2 n ILE 106 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ab2 n HIS 107 N -0.74 -1.54 -3.87 9.51 1.44 -1.26 -4.85 115.22 113.91 1ab2 n HIS 107 Ca 0.52 0.49 -0.35 0.00 -2.01 0.00 0.00 57.72 56.36 1ab2 n HIS 107 Cb 0.73 -2.35 -0.13 0.00 0.12 0.00 0.00 29.99 28.35 1ab2 n HIS 107 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1ab2 s ARG 108 N -5.43 2.33 0.00 -1.40 1.81 -1.26 -5.03 118.95 109.97 1ab2 s ARG 108 Ca 0.14 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 52.76 1ab2 s ARG 108 Cb -0.08 -3.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 1ab2 s ARG 108 CO 0.79 -0.73 0.00 -3.47 -0.68 0.00 0.00 175.30 171.21