#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 1.31 -4.55 1.61 7.64 -1.26 -5.06 113.62 113.31 1ab2 n SER 2 Ca 0.00 -2.82 -0.39 0.00 1.01 0.00 0.00 58.87 56.68 1ab2 n SER 2 Cb 0.00 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 1ab2 n SER 2 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ab2 s GLY 3 N -0.81 0.17 -0.59 0.23 0.00 -1.26 -4.85 107.32 100.20 1ab2 s GLY 3 Ca 0.30 -0.50 -0.41 0.00 0.00 0.00 0.00 44.72 44.11 1ab2 s GLY 3 CO -0.17 3.49 2.26 -2.01 0.00 0.00 0.00 173.10 176.67 1ab2 n ASN 4 N 12.95 0.72 -3.70 1.64 2.85 -1.26 -4.80 115.26 123.66 1ab2 n ASN 4 Ca 0.23 0.56 -0.02 0.00 -0.11 0.00 0.00 54.58 55.24 1ab2 n ASN 4 Cb 0.52 -0.92 -0.01 0.00 1.24 0.00 0.00 39.78 40.61 1ab2 n ASN 4 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1ab2 s SER 5 N 6.69 -0.13 0.00 1.20 1.04 -1.26 -4.86 113.70 116.37 1ab2 s SER 5 Ca 1.23 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1ab2 s SER 5 Cb -1.42 0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1ab2 s SER 5 CO 0.62 -0.67 0.00 0.00 0.98 0.00 0.00 173.24 174.17 1ab2 n LEU 6 N -0.48 -0.84 -4.07 2.42 -0.00 -1.26 -4.69 117.00 108.08 1ab2 n LEU 6 Ca -0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.53 1ab2 n LEU 6 Cb 0.62 0.86 -0.02 0.00 -0.00 0.00 0.00 43.42 44.87 1ab2 n LEU 6 CO 0.13 0.00 2.20 -0.62 -0.00 0.00 0.00 177.39 179.10 1ab2 n GLU 7 N -0.59 2.50 0.00 1.47 1.02 -1.26 -4.67 120.64 119.12 1ab2 n GLU 7 Ca 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 1ab2 n GLU 7 Cb 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 31.44 28.08 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 7.26 0.00 -1.05 3.49 0.00 -1.25 -4.92 118.16 121.68 1ab2 n LYS 8 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.51 1ab2 n LYS 8 Cb 0.42 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.71 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 -3.91 1.25 5.64 8.25 -1.26 -4.82 115.22 120.37 1ab2 n HIS 9 Ca 0.00 -1.00 0.12 0.00 -0.26 0.00 0.00 57.72 56.58 1ab2 n HIS 9 Cb 0.00 -1.15 0.64 0.00 1.12 0.00 0.00 29.99 30.60 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 -4.88 0.00 -0.34 0.41 3.41 -1.26 -1.69 113.62 109.27 1ab2 n SER 10 Ca 0.15 -0.27 0.03 0.00 -0.26 0.00 0.00 58.87 58.52 1ab2 n SER 10 Cb 0.59 -0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.20 0.15 -3.96 7.33 4.27 -1.26 -3.07 117.44 119.70 1ab2 n TRP 11 Ca 0.13 -0.27 -0.35 0.00 -3.89 0.00 0.00 57.50 53.12 1ab2 n TRP 11 Cb 0.16 -0.02 -0.14 0.00 -1.36 0.00 0.00 31.31 29.95 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 -0.80 2.97 0.00 -2.67 6.14 -0.68 -1.17 117.35 121.14 1ab2 s TYR 12 Ca 0.11 -0.85 0.00 0.00 0.64 0.00 0.00 57.07 56.98 1ab2 s TYR 12 Cb 0.07 -2.10 0.00 0.00 0.42 0.00 0.00 41.96 40.35 1ab2 s TYR 12 CO 0.09 -0.49 0.00 -2.39 0.64 0.00 0.00 175.55 173.40 1ab2 n HIS 13 N 4.68 0.00 -2.19 4.97 1.44 -1.26 -3.91 115.22 118.95 1ab2 n HIS 13 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1ab2 n HIS 13 Cb 0.51 0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.75 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 1.97 1.42 3.63 -1.39 0.00 -1.26 -4.54 105.19 105.03 1ab2 n GLY 14 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 1.57 3.94 -0.14 1.61 0.04 -1.25 -3.30 135.00 137.47 1ab2 s PRO 15 Ca 0.00 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 1ab2 s PRO 15 Cb 0.00 -3.88 0.07 0.00 0.04 0.00 0.00 34.50 30.73 1ab2 s PRO 15 CO 0.00 -1.08 0.23 0.08 0.04 0.00 0.00 177.00 176.26 1ab2 s VAL 16 N 4.34 -0.35 0.55 -0.36 1.01 -1.25 -4.95 120.40 119.39 1ab2 s VAL 16 Ca 0.58 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1ab2 s VAL 16 Cb -0.18 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1ab2 s VAL 16 CO 0.23 0.02 1.04 -0.55 0.00 0.00 0.00 175.10 175.84 1ab2 s SER 17 N 2.36 6.05 0.50 3.32 0.15 -1.26 -4.68 113.70 120.15 1ab2 s SER 17 Ca 0.04 1.80 0.35 0.00 0.70 0.00 0.00 55.95 58.84 1ab2 s SER 17 Cb -0.13 -2.54 1.49 0.00 -1.71 0.00 0.00 66.02 63.13 1ab2 s SER 17 CO -0.09 -0.98 1.70 0.03 1.20 0.00 0.00 173.24 175.10 1ab2 h ARG 18 N 0.79 0.09 -0.27 5.44 3.08 -1.99 0.26 114.38 121.78 1ab2 h ARG 18 Ca -0.47 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.60 1ab2 h ARG 18 Cb 1.21 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 1ab2 h ARG 18 CO 0.58 0.06 -0.38 -0.91 -1.07 0.00 0.00 179.97 178.25 1ab2 h ASN 19 N 0.09 -1.26 -0.26 7.04 2.35 -1.99 1.03 115.58 122.58 1ab2 h ASN 19 Ca 0.71 0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 56.58 1ab2 h ASN 19 Cb 2.54 0.51 -0.01 0.00 0.05 0.00 0.00 38.32 41.41 1ab2 h ASN 19 CO -0.16 -0.27 -0.02 0.00 -1.65 0.00 0.00 177.43 175.33 1ab2 h ALA 20 N -0.46 0.35 -1.05 -0.83 0.00 -1.36 -2.30 119.26 113.60 1ab2 h ALA 20 Ca 0.05 -0.23 0.31 0.00 0.00 0.00 0.00 54.91 55.03 1ab2 h ALA 20 Cb 0.40 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 17.97 1ab2 h ALA 20 CO -0.40 0.10 0.64 0.00 0.00 0.00 0.00 179.25 179.59 1ab2 h ALA 21 N 0.80 2.09 -0.04 0.00 0.00 -0.40 1.73 119.26 123.44 1ab2 h ALA 21 Ca 0.07 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1ab2 h ALA 21 Cb 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ab2 h ALA 21 CO 0.02 -0.63 -0.74 0.93 0.00 0.00 0.00 179.25 178.83 1ab2 h GLU 22 N 0.37 0.24 0.13 0.00 5.08 0.14 -2.66 114.58 117.88 1ab2 h GLU 22 Ca 0.69 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1ab2 h GLU 22 Cb 1.66 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1ab2 h GLU 22 CO -0.48 0.88 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.43 1ab2 h TYR 23 N 0.16 -0.16 -1.03 4.33 5.03 0.25 -3.31 116.97 122.24 1ab2 h TYR 23 Ca -0.03 -0.00 0.32 0.00 2.58 0.00 0.00 58.73 61.60 1ab2 h TYR 23 Cb 1.31 0.05 -0.14 0.00 1.55 0.00 0.00 36.73 39.50 1ab2 h TYR 23 CO 0.03 -0.10 0.60 1.37 -1.32 0.00 0.00 178.16 178.74 1ab2 h LEU 24 N -0.82 0.50 0.00 2.82 8.10 0.13 -3.38 115.31 122.66 1ab2 h LEU 24 Ca -0.02 0.18 0.00 0.00 0.11 0.00 0.00 57.88 58.15 1ab2 h LEU 24 Cb 0.13 0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1ab2 h LEU 24 CO 0.03 -0.11 0.00 -0.11 -4.11 0.00 0.00 178.44 174.14 1ab2 n LEU 25 N -4.98 0.00 0.00 0.17 7.94 -1.00 -4.41 117.00 114.72 1ab2 n LEU 25 Ca 0.32 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 1ab2 n LEU 25 Cb 1.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.96 1ab2 n LEU 25 CO 0.12 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.20 1ab2 n SER 26 N 0.00 0.00 -3.06 1.96 7.64 -1.26 -4.73 113.62 114.17 1ab2 n SER 26 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1ab2 n SER 26 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ab2 n SER 27 N 2.39 7.29 -2.22 6.43 2.88 -1.26 -4.91 113.62 124.22 1ab2 n SER 27 Ca 0.00 -3.38 -0.04 0.00 -1.33 0.00 0.00 58.87 54.13 1ab2 n SER 27 Cb 0.00 -1.23 -0.01 0.00 -0.75 0.00 0.00 64.21 62.22 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 0.73 4.11 0.00 0.46 0.00 -1.26 -5.12 105.19 104.10 1ab2 n GLY 28 Ca 0.54 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.14 0.00 0.95 -0.61 -5.35 -1.26 -4.96 119.36 107.99 1ab2 n ILE 29 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1ab2 n ILE 29 Cb 0.07 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 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 0.00 1.32 -3.15 7.28 0.23 -1.26 -3.98 115.26 115.69 1ab2 n ASN 30 Ca 0.00 -1.91 0.06 0.00 -0.53 0.00 0.00 54.58 52.20 1ab2 n ASN 30 Cb 0.00 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.21 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 0.15 -0.32 -0.18 4.83 0.00 -1.10 -4.25 107.32 106.45 1ab2 s GLY 31 Ca 0.00 2.84 -0.11 0.00 0.00 0.00 0.00 44.72 47.46 1ab2 s GLY 31 CO 0.00 3.92 0.44 -0.56 0.00 0.00 0.00 173.10 176.90 1ab2 s SER 32 N 2.97 -0.55 0.09 1.64 0.01 0.11 -2.02 113.70 115.96 1ab2 s SER 32 Ca -0.00 0.95 0.02 0.00 1.31 0.00 0.00 55.95 58.22 1ab2 s SER 32 Cb -0.08 0.84 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1ab2 s SER 32 CO -0.11 -0.19 -0.07 0.72 0.41 0.00 0.00 173.24 174.00 1ab2 s PHE 33 N 1.27 0.90 -0.23 2.43 -0.71 0.26 0.59 117.98 122.49 1ab2 s PHE 33 Ca -0.08 -0.82 -0.12 0.00 -1.04 0.00 0.00 56.93 54.87 1ab2 s PHE 33 Cb -0.07 -0.51 0.08 0.00 -1.21 0.00 0.00 43.02 41.30 1ab2 s PHE 33 CO -0.12 -0.11 0.55 -0.48 -1.34 0.00 0.00 175.22 173.72 1ab2 s LEU 34 N -2.78 -0.65 0.20 -1.99 2.34 -0.46 -1.89 118.68 113.45 1ab2 s LEU 34 Ca 0.08 1.24 -0.30 0.00 0.06 0.00 0.00 54.13 55.22 1ab2 s LEU 34 Cb 0.02 1.88 -0.08 0.00 -0.56 0.00 0.00 46.19 47.45 1ab2 s LEU 34 CO -0.03 -0.22 1.18 0.54 -1.06 0.00 0.00 176.35 176.75 1ab2 s VAL 35 N 1.88 3.59 -0.30 1.48 0.11 -0.31 -2.16 120.40 124.68 1ab2 s VAL 35 Ca -0.08 1.37 0.01 0.00 -2.93 0.00 0.00 61.98 60.34 1ab2 s VAL 35 Cb -0.08 -3.87 0.09 0.00 -1.53 0.00 0.00 36.38 30.99 1ab2 s VAL 35 CO -0.16 0.23 0.06 0.00 -3.33 0.00 0.00 175.10 171.90 1ab2 s ARG 36 N -0.42 1.05 0.12 1.54 1.70 0.30 -4.60 118.95 118.64 1ab2 s ARG 36 Ca 0.51 -1.25 -0.27 0.00 -0.47 0.00 0.00 55.73 54.26 1ab2 s ARG 36 Cb -0.32 -2.41 -0.07 0.00 -0.57 0.00 0.00 34.95 31.58 1ab2 s ARG 36 CO 0.37 -0.90 0.82 -2.00 -1.08 0.00 0.00 175.30 172.52 1ab2 s GLU 37 N 1.40 4.60 0.70 3.89 -6.30 -1.21 0.22 118.70 122.00 1ab2 s GLU 37 Ca 0.07 1.21 -0.14 0.00 -2.50 0.00 0.00 54.97 53.62 1ab2 s GLU 37 Cb -0.18 -3.32 0.02 0.00 0.00 0.00 0.00 34.13 30.65 1ab2 s GLU 37 CO -0.17 0.40 1.11 0.45 0.02 0.00 0.00 175.26 177.07 1ab2 s SER 38 N -0.55 4.88 0.00 -1.70 0.15 -0.65 -3.83 113.70 112.00 1ab2 s SER 38 Ca 0.39 1.96 0.00 0.00 0.70 0.00 0.00 55.95 59.00 1ab2 s SER 38 Cb -0.23 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1ab2 s SER 38 CO 0.26 -1.78 0.00 1.21 1.20 0.00 0.00 173.24 174.13 1ab2 n GLU 39 N -2.78 0.00 -2.21 5.44 4.07 -1.26 -4.55 120.64 119.35 1ab2 n GLU 39 Ca 0.10 0.21 -0.41 0.00 -0.06 0.00 0.00 57.16 57.00 1ab2 n GLU 39 Cb 0.52 -0.65 0.00 0.00 -0.06 0.00 0.00 31.44 31.26 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ab2 n SER 40 N -1.77 6.47 -4.36 4.31 2.88 -1.26 -4.93 113.62 114.96 1ab2 n SER 40 Ca 0.00 -3.14 -0.19 0.00 -1.33 0.00 0.00 58.87 54.21 1ab2 n SER 40 Cb 0.00 -1.42 -0.10 0.00 -0.75 0.00 0.00 64.21 61.94 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ab2 s SER 41 N 0.52 2.41 0.00 -3.46 0.01 -1.26 -5.02 113.70 106.90 1ab2 s SER 41 Ca 0.46 -1.11 0.23 0.00 1.31 0.00 0.00 55.95 56.83 1ab2 s SER 41 Cb 0.13 -0.11 1.13 0.00 0.21 0.00 0.00 66.02 67.39 1ab2 s SER 41 CO -0.04 -0.31 1.74 -0.81 0.41 0.00 0.00 173.24 174.24 1ab2 n PRO 42 N -0.43 0.30 0.00 12.44 -0.04 -1.26 -4.71 135.00 141.29 1ab2 n PRO 42 Ca -0.07 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ab2 n PRO 42 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.66 0.49 3.31 0.55 0.00 -1.26 -5.07 105.19 103.87 1ab2 n GLY 43 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 2.03 0.44 1.61 -2.07 -1.26 -4.97 119.66 115.44 1ab2 s GLN 44 Ca 0.00 -0.95 0.04 0.00 -1.82 0.00 0.00 55.36 52.63 1ab2 s GLN 44 Cb 0.00 -2.01 -0.05 0.00 -1.09 0.00 0.00 33.01 29.87 1ab2 s GLN 44 CO 0.00 0.55 0.02 1.03 -1.32 0.00 0.00 175.29 175.57 1ab2 s ARG 45 N -0.72 2.02 0.29 9.60 3.00 -1.26 -1.63 118.95 130.25 1ab2 s ARG 45 Ca 0.10 -2.21 0.04 0.00 0.00 0.00 0.00 55.73 53.66 1ab2 s ARG 45 Cb -0.10 -1.44 -0.06 0.00 0.00 0.00 0.00 34.95 33.35 1ab2 s ARG 45 CO -0.00 -0.22 0.03 -1.54 0.00 0.00 0.00 175.30 173.57 1ab2 s SER 46 N -3.75 2.17 -0.09 0.23 1.04 0.61 -2.68 113.70 111.23 1ab2 s SER 46 Ca 0.23 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.32 1ab2 s SER 46 Cb 0.06 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.17 1ab2 s SER 46 CO 0.11 -0.56 0.03 -0.63 0.98 0.00 0.00 173.24 173.17 1ab2 s ILE 47 N -3.34 0.24 -0.37 -1.02 1.09 -0.57 -0.54 121.20 116.70 1ab2 s ILE 47 Ca 0.34 0.05 -0.04 0.00 -1.10 0.00 0.00 60.65 59.90 1ab2 s ILE 47 Cb 0.07 -0.53 0.08 0.00 -1.06 0.00 0.00 42.46 41.02 1ab2 s ILE 47 CO 0.13 0.11 0.14 -0.94 -0.10 0.00 0.00 174.94 174.29 1ab2 s SER 48 N 2.02 5.24 0.57 3.58 1.04 -0.92 0.86 113.70 126.09 1ab2 s SER 48 Ca 0.04 -1.58 -0.02 0.00 0.48 0.00 0.00 55.95 54.87 1ab2 s SER 48 Cb -0.13 -1.83 0.03 0.00 0.10 0.00 0.00 66.02 64.18 1ab2 s SER 48 CO -0.06 -0.43 0.83 -0.22 0.98 0.00 0.00 173.24 174.34 1ab2 s LEU 49 N 1.27 3.22 -0.06 2.42 2.96 0.26 -1.36 118.68 127.39 1ab2 s LEU 49 Ca 0.02 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1ab2 s LEU 49 Cb -0.21 -3.06 0.02 0.00 0.50 0.00 0.00 46.19 43.43 1ab2 s LEU 49 CO -0.01 -1.16 0.15 -0.60 -1.32 0.00 0.00 176.35 173.40 1ab2 s ARG 50 N -4.87 0.16 0.00 1.98 6.06 2.50 0.25 118.95 125.03 1ab2 s ARG 50 Ca 0.56 0.23 0.00 0.00 -2.50 0.00 0.00 55.73 54.02 1ab2 s ARG 50 Cb -0.10 0.05 0.00 0.00 0.06 0.00 0.00 34.95 34.95 1ab2 s ARG 50 CO 0.41 -0.04 0.00 0.66 -2.50 0.00 0.00 175.30 173.83 1ab2 n TYR 51 N 3.17 0.00 -1.69 5.12 4.02 -0.33 0.08 117.16 127.53 1ab2 n TYR 51 Ca -0.14 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.37 1ab2 n TYR 51 Cb 0.58 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.96 1ab2 n TYR 51 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1ab2 n GLU 52 N 0.00 2.76 0.06 -0.72 0.28 -1.26 -4.15 120.64 117.62 1ab2 n GLU 52 Ca 0.00 -3.46 0.00 0.00 -0.16 0.00 0.00 57.16 53.54 1ab2 n GLU 52 Cb 0.00 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.59 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ab2 n GLY 53 N -0.70 -0.93 1.84 -1.84 0.00 -1.26 -5.00 105.19 97.29 1ab2 n GLY 53 Ca 0.57 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.71 1ab2 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ab2 n ARG 54 N -2.69 0.31 -3.44 1.61 1.74 -1.26 -5.18 116.66 107.75 1ab2 n ARG 54 Ca 0.00 -1.72 -0.20 0.00 -0.77 0.00 0.00 57.85 55.16 1ab2 n ARG 54 Cb 0.00 1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 32.94 1ab2 n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ab2 s VAL 55 N -2.70 2.88 0.04 1.55 0.11 -1.26 -1.19 120.40 119.83 1ab2 s VAL 55 Ca 0.19 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.04 1ab2 s VAL 55 Cb 0.00 -3.03 -0.02 0.00 -1.53 0.00 0.00 36.38 31.80 1ab2 s VAL 55 CO 0.14 -0.02 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.45 1ab2 s TYR 56 N -2.41 1.08 -0.31 1.54 2.02 0.70 -4.90 117.35 115.07 1ab2 s TYR 56 Ca 0.49 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1ab2 s TYR 56 Cb -0.05 -0.64 0.09 0.00 -0.40 0.00 0.00 41.96 40.96 1ab2 s TYR 56 CO 0.29 0.02 0.07 -1.01 -1.57 0.00 0.00 175.55 173.35 1ab2 s HIS 57 N -0.94 2.24 -0.29 2.71 3.76 -1.26 -0.58 115.29 120.93 1ab2 s HIS 57 Ca -0.01 -2.01 0.00 0.00 -0.15 0.00 0.00 55.06 52.90 1ab2 s HIS 57 Cb -0.08 -1.97 0.09 0.00 1.11 0.00 0.00 32.58 31.73 1ab2 s HIS 57 CO 0.01 -0.88 0.05 -0.47 -0.85 0.00 0.00 174.74 172.61 1ab2 s TYR 58 N 1.43 2.15 0.57 1.40 6.14 0.25 -5.00 117.35 124.30 1ab2 s TYR 58 Ca 0.08 -1.87 -0.19 0.00 0.64 0.00 0.00 57.07 55.73 1ab2 s TYR 58 Cb -0.18 -1.83 -0.05 0.00 0.42 0.00 0.00 41.96 40.33 1ab2 s TYR 58 CO -0.19 -0.84 1.15 -0.98 0.64 0.00 0.00 175.55 175.34 1ab2 s ARG 59 N 1.47 3.19 0.13 4.97 1.70 -1.26 -1.52 118.95 127.63 1ab2 s ARG 59 Ca 0.05 1.67 -0.03 0.00 -0.47 0.00 0.00 55.73 56.95 1ab2 s ARG 59 Cb -0.18 -1.98 -0.10 0.00 -0.57 0.00 0.00 34.95 32.12 1ab2 s ARG 59 CO -0.16 -1.00 1.30 0.82 -1.08 0.00 0.00 175.30 175.18 1ab2 h ILE 60 N 1.02 1.42 -3.14 4.99 5.03 -1.81 -3.45 117.51 121.57 1ab2 h ILE 60 Ca -0.50 -2.54 0.10 0.00 -0.12 0.00 0.00 64.86 61.80 1ab2 h ILE 60 Cb 1.27 2.48 -0.05 0.00 -3.03 0.00 0.00 36.82 37.49 1ab2 h ILE 60 CO 0.56 0.75 -0.92 -3.20 -0.68 0.00 0.00 178.15 174.66 1ab2 n ASN 61 N -3.71 -7.09 -4.72 1.72 5.15 -1.25 -2.63 115.26 102.73 1ab2 n ASN 61 Ca -0.06 1.50 -0.23 0.00 -0.60 0.00 0.00 54.58 55.18 1ab2 n ASN 61 Cb 0.85 -4.23 -0.07 0.00 -0.53 0.00 0.00 39.78 35.80 1ab2 n ASN 61 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ab2 s THR 62 N -4.88 3.00 -0.24 -0.44 2.01 -1.26 -1.62 115.64 112.21 1ab2 s THR 62 Ca 0.00 -1.73 -0.01 0.00 0.31 0.00 0.00 61.69 60.26 1ab2 s THR 62 Cb 0.00 -2.96 0.14 0.00 0.01 0.00 0.00 72.50 69.69 1ab2 s THR 62 CO 0.00 -0.19 2.13 0.00 -0.69 0.00 0.00 174.62 175.87 1ab2 n ALA 63 N -1.12 5.01 -3.22 7.40 0.00 0.20 -4.75 120.51 124.02 1ab2 n ALA 63 Ca -0.03 -1.39 -0.18 0.00 0.00 0.00 0.00 53.44 51.84 1ab2 n ALA 63 Cb 0.61 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 0.73 -2.24 0.11 0.00 2.88 -1.26 -4.45 113.62 109.38 1ab2 n SER 64 Ca 0.25 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1ab2 n SER 64 Cb 0.57 -1.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 1ab2 n SER 64 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ab2 n ASP 65 N -1.98 -1.16 0.00 -3.46 5.68 -1.26 -5.09 116.55 109.28 1ab2 n ASP 65 Ca 0.01 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 1ab2 n ASP 65 Cb 0.51 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.74 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ab2 n GLY 66 N 0.12 -1.59 3.48 6.12 0.00 -1.26 -5.13 105.19 106.93 1ab2 n GLY 66 Ca 0.00 0.52 -0.46 0.00 0.00 0.00 0.00 46.02 46.08 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ab2 n LYS 67 N 0.00 0.59 -3.57 1.61 0.00 -1.26 -4.58 118.16 110.95 1ab2 n LYS 67 Ca 0.00 0.21 -0.41 0.00 -0.00 0.00 0.00 58.31 58.11 1ab2 n LYS 67 Cb 0.00 -1.37 -0.11 0.00 -0.00 0.00 0.00 35.03 33.55 1ab2 n LYS 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ab2 s LEU 68 N 1.90 4.80 -0.06 -5.58 1.43 0.48 -0.63 118.68 121.02 1ab2 s LEU 68 Ca 0.62 -0.96 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1ab2 s LEU 68 Cb -0.82 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1ab2 s LEU 68 CO 0.58 -0.40 -0.17 -0.72 0.23 0.00 0.00 176.35 175.87 1ab2 s TYR 69 N 1.59 1.80 -0.13 0.29 -0.85 -0.64 0.39 117.35 119.79 1ab2 s TYR 69 Ca 0.03 -0.61 -0.18 0.00 -0.52 0.00 0.00 57.07 55.79 1ab2 s TYR 69 Cb -0.19 -1.24 -0.16 0.00 0.38 0.00 0.00 41.96 40.75 1ab2 s TYR 69 CO 0.07 -0.25 0.42 0.28 -1.52 0.00 0.00 175.55 174.56 1ab2 h VAL 70 N 5.55 1.06 0.00 -3.49 2.07 -1.59 -3.38 116.25 116.47 1ab2 h VAL 70 Ca -0.30 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1ab2 h VAL 70 Cb 1.19 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1ab2 h VAL 70 CO 0.48 0.36 -0.03 -1.28 0.02 0.00 0.00 177.57 177.12 1ab2 h SER 71 N -1.00 0.00 0.00 0.57 0.87 -1.80 -3.48 113.55 108.71 1ab2 h SER 71 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1ab2 h SER 71 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1ab2 h SER 71 CO -0.02 0.07 0.00 -1.54 -0.53 0.00 0.00 176.83 174.80 1ab2 n SER 72 N -2.39 0.00 0.00 6.23 3.41 -1.26 -4.92 113.62 114.69 1ab2 n SER 72 Ca -0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1ab2 n SER 72 Cb 0.01 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.48 -3.22 4.33 0.28 -1.26 -3.90 120.64 117.35 1ab2 n GLU 73 Ca 0.00 0.03 -0.32 0.00 -0.16 0.00 0.00 57.16 56.71 1ab2 n GLU 73 Cb 0.00 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.32 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 -1.22 4.70 -4.87 -1.84 3.41 -1.26 -5.05 113.62 107.49 1ab2 n SER 74 Ca 0.14 -3.48 -0.35 0.00 -0.26 0.00 0.00 58.87 54.93 1ab2 n SER 74 Cb 0.19 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 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 -2.77 3.78 0.35 4.33 0.52 -1.25 -3.73 118.95 120.17 1ab2 s ARG 75 Ca 0.39 0.20 0.06 0.00 -0.52 0.00 0.00 55.73 55.85 1ab2 s ARG 75 Cb 0.14 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1ab2 s ARG 75 CO 0.00 0.55 0.23 -0.06 0.02 0.00 0.00 175.30 176.04 1ab2 s PHE 76 N -1.41 1.73 -0.10 -0.53 0.40 0.16 -4.89 117.98 113.35 1ab2 s PHE 76 Ca 0.33 -1.55 -0.03 0.00 -0.60 0.00 0.00 56.93 55.08 1ab2 s PHE 76 Cb -0.14 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 1ab2 s PHE 76 CO 0.18 -0.70 -0.11 0.27 0.70 0.00 0.00 175.22 175.55 1ab2 n ASN 77 N -1.42 1.61 -4.48 1.36 6.94 -1.26 0.18 115.26 118.19 1ab2 n ASN 77 Ca 0.03 0.06 -0.34 0.00 -0.02 0.00 0.00 54.58 54.32 1ab2 n ASN 77 Cb 0.63 -0.25 -0.12 0.00 -2.36 0.00 0.00 39.78 37.68 1ab2 n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1ab2 s THR 78 N -2.19 3.72 0.28 5.53 2.01 -1.26 -4.75 115.64 118.97 1ab2 s THR 78 Ca -0.14 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1ab2 s THR 78 Cb 0.05 -2.61 0.31 0.00 0.01 0.00 0.00 72.50 70.26 1ab2 s THR 78 CO 0.19 0.51 1.64 0.17 -0.69 0.00 0.00 174.62 176.44 1ab2 h LEU 79 N 6.56 -0.13 -0.54 4.42 -0.00 -1.97 0.52 115.31 124.17 1ab2 h LEU 79 Ca -0.32 0.20 0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1ab2 h LEU 79 Cb 1.19 0.30 -0.08 0.00 -0.00 0.00 0.00 40.66 42.07 1ab2 h LEU 79 CO 0.61 -0.17 -0.48 0.00 -0.00 0.00 0.00 178.44 178.40 1ab2 h ALA 80 N 1.77 -0.60 -0.82 0.17 0.00 -1.99 1.03 119.26 118.81 1ab2 h ALA 80 Ca 0.51 0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.65 1ab2 h ALA 80 Cb 0.99 1.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1ab2 h ALA 80 CO -0.67 -0.88 0.55 0.93 0.00 0.00 0.00 179.25 179.18 1ab2 h GLU 81 N -0.20 0.32 0.45 0.00 3.07 -1.34 0.18 114.58 117.05 1ab2 h GLU 81 Ca 0.09 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1ab2 h GLU 81 Cb 0.43 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1ab2 h GLU 81 CO -0.62 0.21 -0.22 1.25 -1.40 0.00 0.00 179.01 178.24 1ab2 h LEU 82 N 0.33 -0.51 -1.37 1.33 5.85 0.16 -1.73 115.31 119.37 1ab2 h LEU 82 Ca 0.41 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.14 1ab2 h LEU 82 Cb 1.12 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1ab2 h LEU 82 CO -0.12 -0.24 0.48 0.58 -0.34 0.00 0.00 178.44 178.80 1ab2 h VAL 83 N -0.78 1.02 0.32 1.05 2.07 0.11 0.48 116.25 120.53 1ab2 h VAL 83 Ca -0.06 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1ab2 h VAL 83 Cb 0.54 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1ab2 h VAL 83 CO 0.10 0.14 -0.39 0.45 0.02 0.00 0.00 177.57 177.89 1ab2 h HIS 84 N 0.77 -1.08 -0.43 1.57 3.86 -0.39 0.88 115.15 120.32 1ab2 h HIS 84 Ca 0.32 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1ab2 h HIS 84 Cb 0.26 0.43 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 1ab2 h HIS 84 CO -0.00 -0.53 0.08 1.25 0.86 0.00 0.00 177.93 179.58 1ab2 h HIS 85 N -0.76 0.74 0.00 2.45 -0.00 -0.69 -0.98 115.15 115.92 1ab2 h HIS 85 Ca -0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1ab2 h HIS 85 Cb 0.70 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1ab2 h HIS 85 CO -0.25 0.71 0.00 0.72 -0.00 0.00 0.00 177.93 179.11 1ab2 n HIS 86 N -4.50 0.00 0.11 5.26 8.25 0.16 0.13 115.22 124.63 1ab2 n HIS 86 Ca -0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1ab2 n HIS 86 Cb 0.23 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.19 1ab2 n HIS 86 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ab2 h SER 87 N 0.00 0.71 0.00 0.41 4.64 0.22 -3.35 113.55 116.18 1ab2 h SER 87 Ca 0.00 -0.87 -0.14 0.00 -0.47 0.00 0.00 61.79 60.31 1ab2 h SER 87 Cb 0.00 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1ab2 h SER 87 CO 0.00 1.70 -1.55 0.35 -0.87 0.00 0.00 176.83 176.47 1ab2 n THR 88 N -3.64 0.55 -3.83 2.95 -2.24 -1.01 -4.80 114.28 102.26 1ab2 n THR 88 Ca -0.19 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.04 1ab2 n THR 88 Cb 1.09 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 68.37 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ab2 s VAL 89 N -2.19 2.40 -0.66 2.28 1.01 0.12 -4.99 120.40 118.37 1ab2 s VAL 89 Ca -0.09 -3.79 -0.15 0.00 0.00 0.00 0.00 61.98 57.95 1ab2 s VAL 89 Cb 0.03 -2.60 -0.13 0.00 0.00 0.00 0.00 36.38 33.68 1ab2 s VAL 89 CO 0.26 -1.00 1.85 0.00 0.00 0.00 0.00 175.10 176.22 1ab2 n ALA 90 N 2.38 3.29 -0.86 5.51 0.00 -1.25 -3.80 120.51 125.78 1ab2 n ALA 90 Ca 0.18 -2.42 -0.10 0.00 0.00 0.00 0.00 53.44 51.10 1ab2 n ALA 90 Cb 0.36 -3.30 -0.14 0.00 0.00 0.00 0.00 19.45 16.37 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 6.21 4.59 0.00 0.00 8.00 -1.26 -3.88 116.55 130.20 1ab2 n ASP 91 Ca 0.42 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1ab2 n ASP 91 Cb 0.26 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 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 2.54 -1.50 3.75 0.44 0.00 -1.26 -3.53 105.19 105.63 1ab2 n GLY 92 Ca 0.37 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 3.53 0.00 0.99 1.43 -1.25 -4.87 118.68 118.50 1ab2 s LEU 93 Ca 0.00 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1ab2 s LEU 93 Cb 0.00 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.64 1ab2 s LEU 93 CO 0.00 -1.69 0.14 2.30 0.23 0.00 0.00 176.35 177.33 1ab2 n ILE 94 N -2.01 0.00 0.00 -0.59 -5.35 -1.26 -4.81 119.36 105.34 1ab2 n ILE 94 Ca 0.12 0.64 0.00 0.00 -0.27 0.00 0.00 62.75 63.24 1ab2 n ILE 94 Cb 0.51 -1.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 1ab2 n ILE 94 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1ab2 n THR 95 N -0.22 0.00 -3.69 7.28 -1.04 -1.26 -4.94 114.28 110.41 1ab2 n THR 95 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1ab2 n THR 95 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1ab2 n THR 95 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ab2 s THR 96 N 1.50 -0.23 0.19 12.58 -4.23 -1.26 -4.55 115.64 119.64 1ab2 s THR 96 Ca 0.00 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.52 1ab2 s THR 96 Cb 0.00 -0.58 -0.09 0.00 1.34 0.00 0.00 72.50 73.17 1ab2 s THR 96 CO 0.00 0.06 0.11 0.00 -0.54 0.00 0.00 174.62 174.25 1ab2 n LEU 97 N 4.66 -1.34 0.06 4.79 -0.00 -1.26 -4.89 117.00 119.03 1ab2 n LEU 97 Ca -0.18 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.32 1ab2 n LEU 97 Cb 0.53 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 1ab2 n LEU 97 CO 0.06 -2.13 -0.03 1.57 -0.00 0.00 0.00 177.39 176.86 1ab2 n HIS 98 N -0.41 -1.06 -3.88 1.47 -0.00 -1.26 -5.00 115.22 105.08 1ab2 n HIS 98 Ca 0.07 0.19 -0.29 0.00 0.46 0.00 0.00 57.72 58.15 1ab2 n HIS 98 Cb 0.20 0.49 -0.16 0.00 -0.12 0.00 0.00 29.99 30.40 1ab2 n HIS 98 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 1ab2 s TYR 99 N -2.00 1.94 -1.22 1.57 6.14 -0.86 -4.94 117.35 117.98 1ab2 s TYR 99 Ca 0.00 -1.42 -0.20 0.00 0.64 0.00 0.00 57.07 56.09 1ab2 s TYR 99 Cb 0.00 -1.40 -0.02 0.00 0.42 0.00 0.00 41.96 40.96 1ab2 s TYR 99 CO 0.00 -0.71 1.88 -0.35 0.64 0.00 0.00 175.55 177.01 1ab2 n PRO 100 N 4.80 2.36 -1.49 4.97 -0.04 -1.26 -0.57 135.00 143.77 1ab2 n PRO 100 Ca -0.11 -2.75 -0.42 0.00 -0.04 0.00 0.00 63.50 60.18 1ab2 n PRO 100 Cb 0.45 -3.51 -0.13 0.00 -0.04 0.00 0.00 33.50 30.27 1ab2 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ab2 n ALA 101 N 10.46 0.35 -1.47 0.55 0.00 -0.79 -4.16 120.51 125.45 1ab2 n ALA 101 Ca 0.48 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.41 1ab2 n ALA 101 Cb 0.45 -2.37 0.21 0.00 0.00 0.00 0.00 19.45 17.74 1ab2 n ALA 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ab2 n PRO 102 N 8.49 -2.05 -3.47 0.00 -0.04 -1.18 -4.72 135.00 132.03 1ab2 n PRO 102 Ca 0.62 -1.75 -0.26 0.00 -0.04 0.00 0.00 63.50 62.06 1ab2 n PRO 102 Cb 0.09 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 1ab2 n PRO 102 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ab2 s LYS 103 N -5.48 3.53 -1.12 0.54 -0.14 -1.26 -5.01 119.74 110.79 1ab2 s LYS 103 Ca 0.67 -0.26 -0.17 0.00 -1.36 0.00 0.00 55.97 54.86 1ab2 s LYS 103 Cb -0.04 -2.71 0.13 0.00 -1.68 0.00 0.00 37.83 33.52 1ab2 s LYS 103 CO 0.49 0.25 1.41 1.03 -0.76 0.00 0.00 175.35 177.76 1ab2 s ARG 104 N -3.82 3.87 0.00 1.68 3.00 -1.26 -4.76 118.95 117.67 1ab2 s ARG 104 Ca 0.40 -2.07 0.00 0.00 0.00 0.00 0.00 55.73 54.06 1ab2 s ARG 104 Cb -0.10 -5.14 0.00 0.00 0.00 0.00 0.00 34.95 29.70 1ab2 s ARG 104 CO 0.32 -1.91 0.00 0.41 0.00 0.00 0.00 175.30 174.12 1ab2 n GLY 105 N 5.07 0.43 0.37 -3.53 0.00 -1.26 -4.82 105.19 101.44 1ab2 n GLY 105 Ca 0.35 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1ab2 n GLY 105 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ab2 n ILE 106 N 0.00 0.00 0.00 -0.61 2.08 -1.26 -5.04 119.36 114.53 1ab2 n ILE 106 Ca 0.00 0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.56 1ab2 n ILE 106 Cb 0.00 -1.23 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 1ab2 n ILE 106 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ab2 n HIS 107 N -2.35 0.00 -2.86 1.39 1.44 -1.26 -4.88 115.22 106.70 1ab2 n HIS 107 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1ab2 n HIS 107 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 1ab2 n HIS 107 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1ab2 n ARG 108 N 0.00 0.98 0.00 -1.40 0.00 -1.26 -5.13 116.66 109.85 1ab2 n ARG 108 Ca 0.00 -2.32 0.14 0.00 -0.00 0.00 0.00 57.85 55.67 1ab2 n ARG 108 Cb 0.00 -1.24 0.57 0.00 -0.00 0.00 0.00 32.46 31.78 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16