#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 -7.98 0.00 1.61 3.41 -1.26 -4.69 113.62 104.71 1ab2 n SER 2 Ca 0.00 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1ab2 n SER 2 Cb 0.00 -4.34 0.00 0.00 -0.26 0.00 0.00 64.21 59.61 1ab2 n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ab2 n GLY 3 N -0.95 1.96 5.00 5.00 0.00 -1.26 -4.66 105.19 110.28 1ab2 n GLY 3 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ab2 n GLY 3 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ab2 n ASN 4 N 2.28 0.00 -4.17 1.61 3.02 -1.26 -4.83 115.26 111.90 1ab2 n ASN 4 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1ab2 n ASN 4 Cb 0.00 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.28 1ab2 n ASN 4 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ab2 n SER 5 N 1.48 -2.93 -0.57 6.41 7.64 -1.26 -3.33 113.62 121.06 1ab2 n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ab2 n SER 5 Cb 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1ab2 n SER 5 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ab2 n LEU 6 N 0.61 -1.23 -3.13 -3.43 7.94 -1.26 -4.80 117.00 111.70 1ab2 n LEU 6 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.62 1ab2 n LEU 6 Cb 0.65 -0.61 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 1ab2 n LEU 6 CO 0.49 0.00 2.75 -0.62 -1.11 0.00 0.00 177.39 178.90 1ab2 n GLU 7 N 1.16 2.79 0.00 1.96 1.02 -1.26 -4.29 120.64 122.02 1ab2 n GLU 7 Ca 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 1ab2 n GLU 7 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 28.86 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ab2 n LYS 8 N 3.76 0.00 -0.93 3.49 4.81 -0.42 -3.87 118.16 124.99 1ab2 n LYS 8 Ca 0.59 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.73 1ab2 n LYS 8 Cb 0.24 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.53 1ab2 n LYS 8 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1ab2 s HIS 9 N 0.00 0.33 -2.00 5.64 3.76 -1.26 -3.49 115.29 118.27 1ab2 s HIS 9 Ca 0.00 0.54 0.22 0.00 -0.15 0.00 0.00 55.06 55.67 1ab2 s HIS 9 Cb 0.00 -3.33 1.33 0.00 1.11 0.00 0.00 32.58 31.69 1ab2 s HIS 9 CO 0.00 -4.07 1.74 0.43 -0.85 0.00 0.00 174.74 171.99 1ab2 n SER 10 N -4.92 0.00 -0.05 1.40 7.64 1.36 -1.69 113.62 117.35 1ab2 n SER 10 Ca 0.13 -0.91 0.01 0.00 1.01 0.00 0.00 58.87 59.10 1ab2 n SER 10 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.93 0.00 -3.68 1.43 4.27 -1.26 -4.57 117.44 112.70 1ab2 n TRP 11 Ca 0.17 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.50 1ab2 n TRP 11 Cb 0.08 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 29.92 1ab2 n TRP 11 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 1ab2 n TYR 12 N -0.14 3.07 -0.11 -2.67 4.19 -0.68 0.46 117.16 121.28 1ab2 n TYR 12 Ca 0.01 -4.18 -0.23 0.00 3.31 0.00 0.00 57.90 56.81 1ab2 n TYR 12 Cb 0.04 -0.55 -0.08 0.00 0.49 0.00 0.00 39.34 39.24 1ab2 n TYR 12 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1ab2 n HIS 13 N 1.58 0.00 -2.42 2.98 8.25 -1.26 -1.30 115.22 123.04 1ab2 n HIS 13 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1ab2 n HIS 13 Cb 0.38 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.73 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ab2 n GLY 14 N 1.63 -0.54 3.59 -1.41 0.00 -1.21 -4.11 105.19 103.14 1ab2 n GLY 14 Ca -0.41 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.36 3.40 -0.05 1.61 0.04 -1.26 -4.72 135.00 132.67 1ab2 s PRO 15 Ca 0.00 0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.82 1ab2 s PRO 15 Cb 0.00 -4.09 -0.00 0.00 0.04 0.00 0.00 34.50 30.44 1ab2 s PRO 15 CO 0.00 -1.79 -0.18 0.54 0.04 0.00 0.00 177.00 175.61 1ab2 s VAL 16 N 5.93 1.50 0.40 -0.36 0.11 -1.26 -5.04 120.40 121.68 1ab2 s VAL 16 Ca 0.59 -0.75 -0.23 0.00 -2.93 0.00 0.00 61.98 58.65 1ab2 s VAL 16 Cb -0.13 -1.29 -0.10 0.00 -1.53 0.00 0.00 36.38 33.34 1ab2 s VAL 16 CO 0.29 0.43 0.99 -0.94 -3.33 0.00 0.00 175.10 172.54 1ab2 s SER 17 N 0.03 6.91 0.27 3.54 1.04 -1.26 -4.43 113.70 119.80 1ab2 s SER 17 Ca -0.04 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1ab2 s SER 17 Cb -0.12 -2.57 0.55 0.00 0.10 0.00 0.00 66.02 63.98 1ab2 s SER 17 CO 0.02 -0.38 1.80 0.08 0.98 0.00 0.00 173.24 175.75 1ab2 h ARG 18 N 2.39 0.79 0.65 4.02 0.11 -1.98 1.12 114.38 121.49 1ab2 h ARG 18 Ca -0.48 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.52 1ab2 h ARG 18 Cb 1.20 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1ab2 h ARG 18 CO 0.62 0.52 -0.34 -2.95 0.10 0.00 0.00 179.97 177.93 1ab2 h ASN 19 N 0.82 -0.82 -0.49 0.08 -1.07 -2.01 -2.36 115.58 109.74 1ab2 h ASN 19 Ca 0.48 0.03 0.09 0.00 0.07 0.00 0.00 56.30 56.97 1ab2 h ASN 19 Cb 0.58 0.22 -0.03 0.00 -2.07 0.00 0.00 38.32 37.02 1ab2 h ASN 19 CO -0.31 -0.56 0.33 0.00 0.07 0.00 0.00 177.43 176.97 1ab2 h ALA 20 N -1.52 2.09 -0.19 4.14 0.00 -1.83 -1.01 119.26 120.93 1ab2 h ALA 20 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ab2 h ALA 20 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ab2 h ALA 20 CO 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1ab2 n ALA 21 N -2.54 -0.20 0.04 0.00 0.00 0.38 0.15 120.51 118.35 1ab2 n ALA 21 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1ab2 n ALA 21 Cb 0.35 0.28 0.51 0.00 0.00 0.00 0.00 19.45 20.59 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 0.35 0.00 0.00 4.11 -1.18 -0.87 114.58 116.99 1ab2 h GLU 22 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1ab2 h GLU 22 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ab2 h GLU 22 CO 0.00 0.23 0.00 0.98 0.07 0.00 0.00 179.01 180.29 1ab2 n TYR 23 N -4.48 0.00 -0.11 2.06 9.36 -0.41 -3.53 117.16 120.04 1ab2 n TYR 23 Ca 0.04 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.18 1ab2 n TYR 23 Cb 0.17 -0.46 -0.02 0.00 -0.63 0.00 0.00 39.34 38.41 1ab2 n TYR 23 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1ab2 h LEU 24 N 0.00 -1.12 -8.64 2.98 8.10 0.15 -3.34 115.31 113.45 1ab2 h LEU 24 Ca 0.00 0.19 -0.52 0.00 0.11 0.00 0.00 57.88 57.66 1ab2 h LEU 24 Cb 0.00 0.52 -0.02 0.00 -0.44 0.00 0.00 40.66 40.71 1ab2 h LEU 24 CO 0.00 -0.33 1.38 -0.22 -4.11 0.00 0.00 178.44 175.16 1ab2 s LEU 25 N -10.57 3.38 -0.04 0.17 2.96 -0.34 -4.51 118.68 109.73 1ab2 s LEU 25 Ca -0.15 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1ab2 s LEU 25 Cb 0.13 -2.84 0.05 0.00 0.50 0.00 0.00 46.19 44.02 1ab2 s LEU 25 CO 0.67 -2.25 0.72 -0.24 -1.32 0.00 0.00 176.35 173.93 1ab2 n SER 26 N 12.52 -0.67 -2.98 3.68 2.88 -1.25 -4.68 113.62 123.10 1ab2 n SER 26 Ca 0.24 -1.34 0.04 0.00 -1.33 0.00 0.00 58.87 56.48 1ab2 n SER 26 Cb 0.51 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ab2 s SER 27 N -0.64 -0.41 0.00 -3.46 0.01 -1.26 -5.14 113.70 102.80 1ab2 s SER 27 Ca 0.01 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1ab2 s SER 27 Cb 0.05 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.19 1ab2 s SER 27 CO -0.01 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1ab2 n GLY 28 N 4.47 1.08 3.99 3.44 0.00 -1.26 -5.17 105.19 111.75 1ab2 n GLY 28 Ca 0.08 0.32 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 1.99 2.85 -1.74 -0.61 1.01 -1.26 -4.97 121.20 118.47 1ab2 s ILE 29 Ca 0.00 -1.05 0.23 0.00 0.00 0.00 0.00 60.65 59.83 1ab2 s ILE 29 Cb 0.00 -2.90 0.54 0.00 0.01 0.00 0.00 42.46 40.11 1ab2 s ILE 29 CO 0.00 0.00 1.75 -0.46 0.00 0.00 0.00 174.94 176.23 1ab2 n ASN 30 N -1.85 0.00 -3.44 3.58 6.94 -1.26 -4.38 115.26 114.85 1ab2 n ASN 30 Ca 0.08 -0.41 -0.18 0.00 -0.02 0.00 0.00 54.58 54.05 1ab2 n ASN 30 Cb 0.60 -0.13 -0.11 0.00 -2.36 0.00 0.00 39.78 37.78 1ab2 n ASN 30 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ab2 s GLY 31 N -2.26 -0.05 -0.09 4.83 0.00 -1.26 -4.15 107.32 104.33 1ab2 s GLY 31 Ca 0.29 -0.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.84 1ab2 s GLY 31 CO 0.30 2.42 0.25 -1.35 0.00 0.00 0.00 173.10 174.72 1ab2 s SER 32 N 2.34 -0.26 0.30 1.64 1.04 -1.12 -4.15 113.70 113.49 1ab2 s SER 32 Ca 0.09 0.50 0.09 0.00 0.48 0.00 0.00 55.95 57.11 1ab2 s SER 32 Cb -0.15 0.49 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 1ab2 s SER 32 CO -0.24 -0.10 -0.10 -0.36 0.98 0.00 0.00 173.24 173.41 1ab2 s PHE 33 N 0.31 2.18 -0.18 5.02 0.40 -1.26 0.27 117.98 124.72 1ab2 s PHE 33 Ca -0.01 -0.55 -0.16 0.00 -0.60 0.00 0.00 56.93 55.61 1ab2 s PHE 33 Cb -0.03 -1.18 0.05 0.00 0.51 0.00 0.00 43.02 42.36 1ab2 s PHE 33 CO -0.01 0.49 0.47 -0.48 0.70 0.00 0.00 175.22 176.39 1ab2 s LEU 34 N -3.52 0.12 -0.05 -0.37 0.05 0.38 -4.04 118.68 111.26 1ab2 s LEU 34 Ca 0.30 0.96 -0.06 0.00 0.05 0.00 0.00 54.13 55.39 1ab2 s LEU 34 Cb 0.01 1.62 -0.04 0.00 -2.05 0.00 0.00 46.19 45.73 1ab2 s LEU 34 CO 0.14 -0.17 0.20 0.54 -0.55 0.00 0.00 176.35 176.51 1ab2 s VAL 35 N 0.42 5.41 0.29 1.48 0.11 0.17 0.34 120.40 128.64 1ab2 s VAL 35 Ca -0.01 0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 1ab2 s VAL 35 Cb -0.04 -3.50 -0.01 0.00 -1.53 0.00 0.00 36.38 31.30 1ab2 s VAL 35 CO -0.01 0.45 0.10 0.54 -3.33 0.00 0.00 175.10 172.85 1ab2 n ARG 36 N 1.40 0.68 -4.42 1.54 3.00 -0.90 -4.70 116.66 113.26 1ab2 n ARG 36 Ca -0.14 -2.48 -0.26 0.00 -0.01 0.00 0.00 57.85 54.95 1ab2 n ARG 36 Cb 0.54 1.35 -0.17 0.00 0.00 0.00 0.00 32.46 34.18 1ab2 n ARG 36 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1ab2 s GLU 37 N -3.12 1.82 0.67 5.56 -1.05 -1.26 -1.75 118.70 119.57 1ab2 s GLU 37 Ca 0.15 -0.42 -0.11 0.00 -0.15 0.00 0.00 54.97 54.44 1ab2 s GLU 37 Cb 0.01 -1.58 -0.01 0.00 -0.44 0.00 0.00 34.13 32.11 1ab2 s GLU 37 CO 0.10 -0.05 1.05 -1.54 0.95 0.00 0.00 175.26 175.77 1ab2 s SER 38 N 0.96 5.62 -0.38 0.83 1.04 -0.95 -4.88 113.70 115.93 1ab2 s SER 38 Ca -0.09 1.56 0.01 0.00 0.48 0.00 0.00 55.95 57.92 1ab2 s SER 38 Cb -0.15 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.60 1ab2 s SER 38 CO -0.00 -1.28 0.18 -0.70 0.98 0.00 0.00 173.24 172.42 1ab2 s GLU 39 N -5.08 0.98 0.00 4.02 2.56 -1.26 -4.65 118.70 115.27 1ab2 s GLU 39 Ca 0.57 -1.57 0.00 0.00 0.00 0.00 0.00 54.97 53.97 1ab2 s GLU 39 Cb -0.13 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 33.91 1ab2 s GLU 39 CO 0.55 -1.10 0.00 -1.13 -0.56 0.00 0.00 175.26 173.02 1ab2 n SER 40 N 4.10 0.00 -4.74 -1.70 3.41 -1.26 -5.15 113.62 108.29 1ab2 n SER 40 Ca 0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.38 1ab2 n SER 40 Cb 0.38 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 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 5.25 -1.17 4.04 1.04 -1.26 -5.00 113.70 116.60 1ab2 s SER 41 Ca 0.00 -0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 1ab2 s SER 41 Cb 0.00 -1.30 -0.07 0.00 0.10 0.00 0.00 66.02 64.74 1ab2 s SER 41 CO 0.00 0.12 2.50 -0.81 0.98 0.00 0.00 173.24 176.03 1ab2 n PRO 42 N 0.09 2.73 0.00 4.02 -0.04 -1.26 -4.03 135.00 136.51 1ab2 n PRO 42 Ca -0.09 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1ab2 n PRO 42 Cb 0.53 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.63 0.78 3.24 0.55 0.00 -1.26 -5.15 105.19 106.98 1ab2 n GLY 43 Ca 0.58 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.60 1.23 0.01 1.61 -1.52 -1.26 -4.82 119.66 114.31 1ab2 s GLN 44 Ca 0.00 -0.98 0.04 0.00 -1.95 0.00 0.00 55.36 52.48 1ab2 s GLN 44 Cb 0.00 -1.37 -0.01 0.00 -0.22 0.00 0.00 33.01 31.41 1ab2 s GLN 44 CO 0.00 0.34 -0.13 0.50 -0.25 0.00 0.00 175.29 175.75 1ab2 s ARG 45 N -1.39 0.96 0.37 2.91 3.00 -1.26 -2.25 118.95 121.29 1ab2 s ARG 45 Ca 0.06 -0.55 0.08 0.00 -1.00 0.00 0.00 55.73 54.32 1ab2 s ARG 45 Cb -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 34.95 33.88 1ab2 s ARG 45 CO 0.02 0.25 0.18 -1.54 0.00 0.00 0.00 175.30 174.21 1ab2 s SER 46 N -0.60 4.64 -0.06 -2.12 1.04 -0.72 -2.92 113.70 112.96 1ab2 s SER 46 Ca 0.03 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.63 1ab2 s SER 46 Cb -0.06 -0.63 0.01 0.00 0.10 0.00 0.00 66.02 65.44 1ab2 s SER 46 CO 0.00 -0.42 -0.15 -0.51 0.98 0.00 0.00 173.24 173.14 1ab2 s ILE 47 N -2.49 1.36 -0.15 -1.02 2.07 -0.95 -2.13 121.20 117.89 1ab2 s ILE 47 Ca 0.40 -0.63 -0.02 0.00 -1.41 0.00 0.00 60.65 58.99 1ab2 s ILE 47 Cb -0.01 -1.20 -0.02 0.00 0.13 0.00 0.00 42.46 41.36 1ab2 s ILE 47 CO 0.23 0.40 -0.08 -0.55 -1.91 0.00 0.00 174.94 173.03 1ab2 s SER 48 N 0.42 4.39 -0.07 4.50 0.15 1.06 -2.75 113.70 121.39 1ab2 s SER 48 Ca -0.12 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.33 1ab2 s SER 48 Cb -0.15 -1.70 -0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1ab2 s SER 48 CO 0.04 0.14 -0.22 -0.76 1.20 0.00 0.00 173.24 173.65 1ab2 s LEU 49 N 0.50 2.00 -0.22 3.45 2.01 -1.09 0.14 118.68 125.46 1ab2 s LEU 49 Ca -0.06 -0.47 -0.05 0.00 0.01 0.00 0.00 54.13 53.56 1ab2 s LEU 49 Cb -0.15 -1.24 -0.02 0.00 0.01 0.00 0.00 46.19 44.79 1ab2 s LEU 49 CO 0.03 0.18 0.01 -0.60 1.01 0.00 0.00 176.35 176.98 1ab2 s ARG 50 N 0.12 3.55 0.00 1.70 3.00 0.78 -1.71 118.95 126.39 1ab2 s ARG 50 Ca -0.09 -0.54 0.00 0.00 -1.00 0.00 0.00 55.73 54.09 1ab2 s ARG 50 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 34.95 31.67 1ab2 s ARG 50 CO 0.05 -0.12 0.00 0.66 0.00 0.00 0.00 175.30 175.89 1ab2 n TYR 51 N 4.64 -1.03 -0.81 5.12 4.02 0.26 -2.78 117.16 126.58 1ab2 n TYR 51 Ca -0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.37 1ab2 n TYR 51 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.78 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1ab2 n GLU 52 N -0.34 1.17 -1.70 -0.72 4.07 -1.26 -3.15 120.64 118.72 1ab2 n GLU 52 Ca 0.00 -1.45 0.00 0.00 -0.06 0.00 0.00 57.16 55.65 1ab2 n GLU 52 Cb 0.00 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 28.74 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ab2 n GLY 53 N 4.40 0.86 3.23 8.31 0.00 -1.26 -5.07 105.19 115.65 1ab2 n GLY 53 Ca 0.43 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.52 0.35 -0.19 1.61 1.81 -1.19 -5.14 118.95 112.67 1ab2 s ARG 54 Ca 0.00 0.77 -0.03 0.00 -1.72 0.00 0.00 55.73 54.75 1ab2 s ARG 54 Cb 0.00 -0.01 -0.01 0.00 -0.45 0.00 0.00 34.95 34.48 1ab2 s ARG 54 CO 0.00 -0.17 -0.07 0.08 -0.68 0.00 0.00 175.30 174.45 1ab2 s VAL 55 N 1.52 3.23 -0.03 3.52 1.01 -1.26 0.92 120.40 129.31 1ab2 s VAL 55 Ca -0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1ab2 s VAL 55 Cb -0.09 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1ab2 s VAL 55 CO -0.12 0.46 0.05 -0.31 0.00 0.00 0.00 175.10 175.18 1ab2 s TYR 56 N 1.13 3.24 -0.28 5.22 2.02 -0.69 -4.99 117.35 123.00 1ab2 s TYR 56 Ca 0.01 0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 1ab2 s TYR 56 Cb -0.14 -1.76 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1ab2 s TYR 56 CO -0.02 0.53 -0.06 -1.01 -1.57 0.00 0.00 175.55 173.42 1ab2 s HIS 57 N -1.08 3.30 -0.19 2.71 3.76 -1.26 -2.67 115.29 119.86 1ab2 s HIS 57 Ca 0.19 -2.21 -0.01 0.00 -0.15 0.00 0.00 55.06 52.88 1ab2 s HIS 57 Cb -0.12 -2.07 0.05 0.00 1.11 0.00 0.00 32.58 31.55 1ab2 s HIS 57 CO 0.09 -0.86 -0.03 0.71 -0.85 0.00 0.00 174.74 173.80 1ab2 s TYR 58 N 1.14 1.73 0.24 1.40 2.02 -1.11 -5.03 117.35 117.74 1ab2 s TYR 58 Ca -0.06 -1.20 -0.30 0.00 -0.37 0.00 0.00 57.07 55.14 1ab2 s TYR 58 Cb -0.20 -1.32 -0.09 0.00 -0.40 0.00 0.00 41.96 39.96 1ab2 s TYR 58 CO -0.04 -0.65 1.02 1.03 -1.57 0.00 0.00 175.55 175.34 1ab2 s ARG 59 N 1.62 4.74 0.00 -0.62 3.00 -1.26 -2.24 118.95 124.18 1ab2 s ARG 59 Ca -0.01 1.63 0.00 0.00 0.00 0.00 0.00 55.73 57.35 1ab2 s ARG 59 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 34.95 31.53 1ab2 s ARG 59 CO -0.07 0.33 0.00 -0.89 0.00 0.00 0.00 175.30 174.67 1ab2 n ILE 60 N 1.59 0.00 0.00 1.52 -0.00 -1.15 -4.94 119.36 116.38 1ab2 n ILE 60 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1ab2 n ILE 60 Cb 0.46 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.07 1ab2 n ILE 60 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1ab2 n ASN 61 N 0.00 0.00 -4.56 4.38 5.15 -1.26 -4.95 115.26 114.02 1ab2 n ASN 61 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1ab2 n ASN 61 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 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 -1.99 3.51 0.85 -0.44 2.01 -1.26 -2.33 115.64 116.00 1ab2 s THR 62 Ca 0.00 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 1ab2 s THR 62 Cb 0.00 -2.44 0.10 0.00 0.01 0.00 0.00 72.50 70.17 1ab2 s THR 62 CO 0.00 0.55 1.13 0.00 -0.69 0.00 0.00 174.62 175.60 1ab2 s ALA 63 N -0.84 2.06 0.41 7.40 0.00 -0.28 -4.85 121.76 125.66 1ab2 s ALA 63 Ca 0.13 -0.42 0.26 0.00 0.00 0.00 0.00 51.96 51.93 1ab2 s ALA 63 Cb -0.11 -3.05 1.42 0.00 0.00 0.00 0.00 23.12 21.38 1ab2 s ALA 63 CO 0.03 -1.99 1.77 0.77 0.00 0.00 0.00 175.76 176.33 1ab2 h SER 64 N -1.28 0.00 0.03 0.00 0.02 -2.00 0.24 113.55 110.55 1ab2 h SER 64 Ca -0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ab2 h SER 64 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1ab2 h SER 64 CO 0.62 0.00 -0.01 0.44 -1.14 0.00 0.00 176.83 176.73 1ab2 h ASP 65 N 0.00 -0.03 0.00 3.07 3.32 -2.04 -3.48 116.42 117.26 1ab2 h ASP 65 Ca 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1ab2 h ASP 65 Cb 0.52 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1ab2 h ASP 65 CO 0.00 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 1ab2 n GLY 66 N 1.38 -0.09 3.89 2.75 0.00 0.07 -5.14 105.19 108.05 1ab2 n GLY 66 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1ab2 n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ab2 s LYS 67 N 0.00 2.37 -0.30 1.61 0.00 -1.26 -4.72 119.74 117.43 1ab2 s LYS 67 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 55.97 56.11 1ab2 s LYS 67 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 37.83 35.81 1ab2 s LYS 67 CO 0.00 -1.33 0.19 -0.51 0.00 0.00 0.00 175.35 173.70 1ab2 s LEU 68 N -5.47 4.14 -0.15 2.77 1.43 0.45 -1.13 118.68 120.73 1ab2 s LEU 68 Ca 0.60 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1ab2 s LEU 68 Cb -0.11 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.09 1ab2 s LEU 68 CO 0.50 -0.13 0.14 -0.72 0.23 0.00 0.00 176.35 176.37 1ab2 s TYR 69 N 1.71 -0.04 -0.13 0.29 -0.85 -0.98 0.78 117.35 118.13 1ab2 s TYR 69 Ca 0.06 0.10 0.14 0.00 -0.52 0.00 0.00 57.07 56.85 1ab2 s TYR 69 Cb -0.17 -0.48 0.03 0.00 0.38 0.00 0.00 41.96 41.72 1ab2 s TYR 69 CO 0.09 -0.46 1.40 0.28 -1.52 0.00 0.00 175.55 175.34 1ab2 h VAL 70 N 6.38 0.94 -3.95 -3.49 2.07 -1.80 -3.42 116.25 112.98 1ab2 h VAL 70 Ca -0.15 -2.34 -0.44 0.00 0.82 0.00 0.00 66.70 64.60 1ab2 h VAL 70 Cb 1.14 2.45 -0.30 0.00 -1.52 0.00 0.00 31.29 33.06 1ab2 h VAL 70 CO 0.24 0.53 -0.79 -0.55 0.02 0.00 0.00 177.57 177.03 1ab2 s SER 71 N -6.46 1.31 0.48 0.57 0.15 -1.12 -4.83 113.70 103.80 1ab2 s SER 71 Ca 0.03 -0.20 0.26 0.00 0.70 0.00 0.00 55.95 56.74 1ab2 s SER 71 Cb 0.08 -0.26 1.42 0.00 -1.71 0.00 0.00 66.02 65.54 1ab2 s SER 71 CO 0.76 0.10 1.77 0.77 1.20 0.00 0.00 173.24 177.84 1ab2 h SER 72 N 6.15 0.00 -0.00 5.45 4.64 -1.94 1.22 113.55 129.07 1ab2 h SER 72 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1ab2 h SER 72 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ab2 h SER 72 CO 0.49 0.00 -0.85 -1.84 -0.87 0.00 0.00 176.83 173.76 1ab2 n GLU 73 N -2.53 0.35 -3.72 4.77 0.28 -1.26 -4.79 120.64 113.74 1ab2 n GLU 73 Ca -0.02 -0.29 -0.29 0.00 -0.16 0.00 0.00 57.16 56.40 1ab2 n GLU 73 Cb 0.21 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.43 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 -2.85 3.39 0.00 -1.84 0.01 0.42 -5.12 113.70 107.72 1ab2 s SER 74 Ca 0.11 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.25 1ab2 s SER 74 Cb 0.17 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.70 1ab2 s SER 74 CO 0.78 -0.35 -0.12 -0.13 0.41 0.00 0.00 173.24 173.83 1ab2 s ARG 75 N 1.78 0.93 0.02 12.44 0.52 -1.25 -2.79 118.95 130.60 1ab2 s ARG 75 Ca 0.03 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1ab2 s ARG 75 Cb -0.17 -0.91 -0.01 0.00 0.52 0.00 0.00 34.95 34.38 1ab2 s ARG 75 CO -0.16 0.24 -0.04 -0.06 0.02 0.00 0.00 175.30 175.30 1ab2 s PHE 76 N -0.44 0.31 -0.07 -0.53 0.08 0.23 -4.96 117.98 112.60 1ab2 s PHE 76 Ca 0.03 -0.37 0.14 0.00 0.12 0.00 0.00 56.93 56.86 1ab2 s PHE 76 Cb -0.05 -0.20 -0.17 0.00 -0.57 0.00 0.00 43.02 42.03 1ab2 s PHE 76 CO -0.00 -0.11 0.84 -0.91 -0.10 0.00 0.00 175.22 174.94 1ab2 h ASN 77 N 5.08 0.00 -3.75 1.36 2.35 -1.94 1.32 115.58 119.99 1ab2 h ASN 77 Ca -0.31 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.77 1ab2 h ASN 77 Cb 1.21 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.34 1ab2 h ASN 77 CO 0.44 0.77 -0.75 0.42 -1.65 0.00 0.00 177.43 176.66 1ab2 s THR 78 N -2.78 3.17 0.23 2.81 -4.23 -1.26 -4.61 115.64 108.97 1ab2 s THR 78 Ca -0.03 -0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 59.75 1ab2 s THR 78 Cb 0.08 -2.28 0.20 0.00 1.34 0.00 0.00 72.50 71.85 1ab2 s THR 78 CO 0.81 0.57 1.69 0.17 -0.54 0.00 0.00 174.62 177.33 1ab2 h LEU 79 N 5.78 -0.00 -0.07 4.79 -0.00 -1.96 -1.32 115.31 122.52 1ab2 h LEU 79 Ca -0.40 0.13 0.02 0.00 -0.00 0.00 0.00 57.88 57.63 1ab2 h LEU 79 Cb 1.17 0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 41.96 1ab2 h LEU 79 CO 0.53 -0.02 -0.47 0.00 -0.00 0.00 0.00 178.44 178.47 1ab2 h ALA 80 N 1.56 -0.86 -1.25 0.17 0.00 -2.00 0.33 119.26 117.22 1ab2 h ALA 80 Ca 0.37 -0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.58 1ab2 h ALA 80 Cb 0.60 0.93 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1ab2 h ALA 80 CO -0.47 -1.02 0.86 0.93 0.00 0.00 0.00 179.25 179.55 1ab2 h GLU 81 N -0.54 0.12 -0.47 0.00 4.39 -1.69 0.93 114.58 117.32 1ab2 h GLU 81 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ab2 h GLU 81 Cb 0.61 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1ab2 h GLU 81 CO -0.35 0.08 0.31 1.25 -1.16 0.00 0.00 179.01 179.13 1ab2 h LEU 82 N 0.13 0.54 -0.29 1.33 6.46 0.40 -2.34 115.31 121.53 1ab2 h LEU 82 Ca 0.65 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 58.27 1ab2 h LEU 82 Cb 2.26 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 42.05 1ab2 h LEU 82 CO -0.16 0.40 -0.31 0.58 -0.62 0.00 0.00 178.44 178.34 1ab2 h VAL 83 N 0.63 1.30 -0.78 1.05 2.07 0.14 -1.15 116.25 119.52 1ab2 h VAL 83 Ca 0.17 -1.48 0.10 0.00 0.82 0.00 0.00 66.70 66.31 1ab2 h VAL 83 Cb -0.06 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.17 1ab2 h VAL 83 CO -0.04 0.48 -0.49 0.45 0.02 0.00 0.00 177.57 177.99 1ab2 h HIS 84 N 0.48 -1.50 -0.08 1.57 3.86 -0.50 2.11 115.15 121.09 1ab2 h HIS 84 Ca 0.04 0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1ab2 h HIS 84 Cb 0.89 0.76 -0.00 0.00 1.06 0.00 0.00 27.41 30.12 1ab2 h HIS 84 CO 0.07 -0.41 -0.02 1.25 0.86 0.00 0.00 177.93 179.68 1ab2 h HIS 85 N -0.13 0.17 0.00 2.45 6.17 -1.44 -2.17 115.15 120.20 1ab2 h HIS 85 Ca 0.19 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.24 1ab2 h HIS 85 Cb 0.53 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.41 1ab2 h HIS 85 CO -0.85 0.47 0.00 0.72 0.71 0.00 0.00 177.93 178.98 1ab2 n HIS 86 N -4.80 0.00 0.02 5.26 -0.00 -0.13 -0.67 115.22 114.90 1ab2 n HIS 86 Ca -0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.46 1ab2 n HIS 86 Cb 0.23 -0.04 -0.14 0.00 -0.00 0.00 0.00 29.99 30.04 1ab2 n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ab2 h SER 87 N 0.21 0.41 0.00 0.41 4.64 0.40 -2.37 113.55 117.25 1ab2 h SER 87 Ca 0.00 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 1ab2 h SER 87 Cb 0.18 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ab2 h SER 87 CO 0.00 1.71 -0.84 0.41 -0.87 0.00 0.00 176.83 177.24 1ab2 n THR 88 N -3.45 0.00 -3.55 2.95 -1.04 -1.06 -4.28 114.28 103.85 1ab2 n THR 88 Ca -0.27 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.46 1ab2 n THR 88 Cb 1.05 0.01 -0.11 0.00 -1.82 0.00 0.00 70.33 69.47 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ab2 s VAL 89 N -1.73 1.00 -1.32 12.58 1.01 0.15 -5.03 120.40 127.06 1ab2 s VAL 89 Ca 0.00 -2.89 -0.17 0.00 0.00 0.00 0.00 61.98 58.92 1ab2 s VAL 89 Cb 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.73 1ab2 s VAL 89 CO 0.00 -1.12 1.94 0.00 0.00 0.00 0.00 175.10 175.92 1ab2 n ALA 90 N 2.87 4.12 0.96 5.51 0.00 -1.25 -3.79 120.51 128.93 1ab2 n ALA 90 Ca 0.23 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1ab2 n ALA 90 Cb 0.42 -3.58 0.01 0.00 0.00 0.00 0.00 19.45 16.30 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 7.96 1.35 0.16 0.00 2.03 -1.26 -4.09 116.55 122.70 1ab2 n ASP 91 Ca 0.50 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.79 1ab2 n ASP 91 Cb 0.43 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.07 -0.98 3.75 0.27 0.00 -1.26 -4.42 105.19 102.63 1ab2 n GLY 92 Ca 0.01 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.64 3.51 0.00 0.99 1.43 -1.26 -4.98 118.68 111.74 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 -1.73 0.00 2.30 0.23 0.00 0.00 176.35 177.15 1ab2 n ILE 94 N -2.08 0.00 -0.08 -0.59 -0.00 -1.26 -4.78 119.36 110.56 1ab2 n ILE 94 Ca 0.12 0.49 0.00 0.00 -0.00 0.00 0.00 62.75 63.37 1ab2 n ILE 94 Cb 0.51 -1.09 0.00 0.00 -0.00 0.00 0.00 39.64 39.05 1ab2 n ILE 94 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1ab2 n THR 95 N 0.00 0.00 -4.06 7.28 5.66 -1.26 -4.94 114.28 116.96 1ab2 n THR 95 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1ab2 n THR 95 Cb 0.00 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 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 0.40 1.01 0.28 1.09 -4.23 -1.26 -4.53 115.64 108.39 1ab2 s THR 96 Ca 0.00 -0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.05 1ab2 s THR 96 Cb 0.00 -1.01 -0.11 0.00 1.34 0.00 0.00 72.50 72.72 1ab2 s THR 96 CO 0.00 0.36 0.07 0.18 -0.54 0.00 0.00 174.62 174.69 1ab2 n LEU 97 N 4.67 -2.02 0.00 4.79 4.77 -0.89 -4.95 117.00 123.37 1ab2 n LEU 97 Ca -0.15 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1ab2 n LEU 97 Cb 0.50 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1ab2 n LEU 97 CO 0.18 -2.97 0.00 1.57 -1.33 0.00 0.00 177.39 174.84 1ab2 n HIS 98 N -0.71 0.00 -3.66 -1.77 -0.00 -1.26 -4.83 115.22 102.98 1ab2 n HIS 98 Ca 0.08 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.97 1ab2 n HIS 98 Cb 0.28 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.00 1ab2 n HIS 98 CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 1ab2 s TYR 99 N 0.00 1.11 0.00 1.57 1.13 -1.26 -5.01 117.35 114.90 1ab2 s TYR 99 Ca 0.00 -1.31 -0.04 0.00 -1.41 0.00 0.00 57.07 54.32 1ab2 s TYR 99 Cb 0.00 -1.33 -0.16 0.00 -1.10 0.00 0.00 41.96 39.37 1ab2 s TYR 99 CO 0.00 -0.82 2.56 -0.35 -2.51 0.00 0.00 175.55 174.43 1ab2 n PRO 100 N 5.02 1.34 -0.91 -3.49 -0.04 -1.26 -4.81 135.00 130.85 1ab2 n PRO 100 Ca -0.04 -0.59 -0.35 0.00 -0.04 0.00 0.00 63.50 62.47 1ab2 n PRO 100 Cb 0.43 -1.72 0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 2.41 -4.70 -1.78 0.55 0.00 -1.26 -1.43 120.51 114.30 1ab2 n ALA 101 Ca 0.25 -0.90 -0.34 0.00 0.00 0.00 0.00 53.44 52.46 1ab2 n ALA 101 Cb 0.62 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.59 3.75 0.17 0.00 0.04 -1.26 0.41 135.00 135.52 1ab2 s PRO 102 Ca 0.45 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1ab2 s PRO 102 Cb -0.12 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 1ab2 s PRO 102 CO 0.73 -0.47 1.19 0.15 0.04 0.00 0.00 177.00 178.65 1ab2 s LYS 103 N -3.33 4.49 -0.07 4.56 -0.14 -1.23 -4.72 119.74 119.30 1ab2 s LYS 103 Ca 0.67 1.85 -0.11 0.00 -1.36 0.00 0.00 55.97 57.02 1ab2 s LYS 103 Cb -0.16 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 1ab2 s LYS 103 CO 0.22 -0.10 -0.21 -2.13 -0.76 0.00 0.00 175.35 172.38 1ab2 n ARG 104 N 2.67 0.31 -3.03 1.68 0.63 -1.26 -4.99 116.66 112.67 1ab2 n ARG 104 Ca 0.05 0.12 -0.38 0.00 -0.92 0.00 0.00 57.85 56.72 1ab2 n ARG 104 Cb 0.45 -1.03 -0.06 0.00 0.45 0.00 0.00 32.46 32.27 1ab2 n ARG 104 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ab2 s GLY 105 N -4.43 2.81 -0.02 5.14 0.00 -1.25 -5.01 107.32 104.55 1ab2 s GLY 105 Ca -0.17 0.29 -0.08 0.00 0.00 0.00 0.00 44.72 44.76 1ab2 s GLY 105 CO 0.25 0.74 0.52 -2.22 0.00 0.00 0.00 173.10 172.39 1ab2 h ILE 106 N 3.14 0.00 0.00 0.90 2.04 -1.95 -3.47 117.51 118.16 1ab2 h ILE 106 Ca -0.47 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1ab2 h ILE 106 Cb 1.20 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1ab2 h ILE 106 CO 0.65 0.00 0.00 1.41 0.00 0.00 0.00 178.15 180.21 1ab2 n HIS 107 N -3.52 -3.16 -0.38 1.37 8.25 -1.26 -4.93 115.22 111.58 1ab2 n HIS 107 Ca -0.03 0.81 -0.05 0.00 -0.26 0.00 0.00 57.72 58.19 1ab2 n HIS 107 Cb 0.11 1.74 -0.02 0.00 1.12 0.00 0.00 29.99 32.94 1ab2 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ab2 n ARG 108 N -3.39 -0.31 0.00 -0.41 3.00 -1.26 -5.10 116.66 109.19 1ab2 n ARG 108 Ca 0.00 1.45 0.10 0.00 -0.01 0.00 0.00 57.85 59.39 1ab2 n ARG 108 Cb 0.00 -2.14 0.09 0.00 0.00 0.00 0.00 32.46 30.40 1ab2 n ARG 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38