#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ab0 s ALA 3 N 0.00 3.10 0.04 -1.46 0.00 -1.26 -4.95 121.76 117.23 2ab0 s ALA 3 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 2ab0 s ALA 3 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2ab0 s ALA 3 CO 0.00 0.00 -0.02 -1.12 0.00 0.00 0.00 175.76 174.62 2ab0 s SER 4 N -2.59 0.41 0.00 0.00 0.01 -1.26 -1.41 113.70 108.86 2ab0 s SER 4 Ca 0.59 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2ab0 s SER 4 Cb -0.10 0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.31 2ab0 s SER 4 CO 0.22 -0.53 -0.01 0.00 0.41 0.00 0.00 173.24 173.32 2ab0 s ALA 5 N -3.30 0.07 -0.33 1.44 0.00 0.09 -1.29 121.76 118.42 2ab0 s ALA 5 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 2ab0 s ALA 5 Cb 0.03 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2ab0 s ALA 5 CO -0.08 -0.01 0.15 -1.17 0.00 0.00 0.00 175.76 174.65 2ab0 s LEU 6 N -0.23 4.31 -0.27 0.00 2.96 -0.42 -1.14 118.68 123.90 2ab0 s LEU 6 Ca -0.02 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 53.00 2ab0 s LEU 6 Cb -0.02 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2ab0 s LEU 6 CO -0.00 -0.28 0.07 -0.69 -1.32 0.00 0.00 176.35 174.13 2ab0 s VAL 7 N 1.54 4.21 0.15 1.68 1.01 0.01 -0.45 120.40 128.55 2ab0 s VAL 7 Ca 0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2ab0 s VAL 7 Cb -0.18 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 2ab0 s VAL 7 CO 0.05 0.25 0.62 0.00 0.00 0.00 0.00 175.10 176.02 2ab0 s LEU 9 N -1.71 1.79 0.16 0.00 1.43 0.14 -4.31 118.68 116.18 2ab0 s LEU 9 Ca 0.37 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2ab0 s LEU 9 Cb -0.17 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 2ab0 s LEU 9 CO 0.20 0.05 -0.02 0.00 0.23 0.00 0.00 176.35 176.81 2ab0 s ALA 10 N 0.18 1.29 0.09 4.21 0.00 -1.26 -0.58 121.76 125.69 2ab0 s ALA 10 Ca -0.02 -1.54 -0.34 0.00 0.00 0.00 0.00 51.96 50.06 2ab0 s ALA 10 Cb -0.07 0.42 -0.13 0.00 0.00 0.00 0.00 23.12 23.34 2ab0 s ALA 10 CO 0.00 -0.28 1.66 -2.30 0.00 0.00 0.00 175.76 174.84 2ab0 n PRO 11 N -0.20 2.15 -0.51 0.00 -0.02 -1.26 -1.09 135.00 134.07 2ab0 n PRO 11 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2ab0 n PRO 11 Cb 0.62 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2ab0 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ab0 n GLY 12 N 3.68 0.75 3.72 -1.23 0.00 -0.20 -2.99 105.19 108.92 2ab0 n GLY 12 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2ab0 n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ab0 n SER 13 N 0.00 2.08 -4.62 1.61 7.64 -0.25 -2.70 113.62 117.38 2ab0 n SER 13 Ca 0.00 0.85 -0.43 0.00 1.01 0.00 0.00 58.87 60.30 2ab0 n SER 13 Cb 0.00 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 61.63 2ab0 n SER 13 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ab0 s GLU 14 N -3.28 3.88 0.21 1.43 -6.30 -0.11 -0.80 118.70 113.73 2ab0 s GLU 14 Ca 0.81 0.84 -0.05 0.00 -2.50 0.00 0.00 54.97 54.06 2ab0 s GLU 14 Cb -0.39 -3.83 0.16 0.00 0.00 0.00 0.00 34.13 30.07 2ab0 s GLU 14 CO 0.42 -1.16 1.62 1.05 0.02 0.00 0.00 175.26 177.21 2ab0 h GLU 15 N 8.76 0.82 -0.55 4.30 9.09 -1.91 -1.22 114.58 133.86 2ab0 h GLU 15 Ca -0.22 -0.33 -0.02 0.00 0.05 0.00 0.00 59.36 58.84 2ab0 h GLU 15 Cb 1.06 -0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 28.10 2ab0 h GLU 15 CO 1.08 0.95 0.28 1.15 0.05 0.00 0.00 179.01 182.52 2ab0 h THR 16 N 0.71 1.20 -0.16 -1.06 2.02 -1.97 0.17 112.91 113.83 2ab0 h THR 16 Ca 0.10 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 2ab0 h THR 16 Cb 0.73 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2ab0 h THR 16 CO 0.06 0.22 0.08 -0.33 0.37 0.00 0.00 175.52 175.92 2ab0 h GLU 17 N 0.74 0.22 0.04 6.66 5.08 -1.80 -1.18 114.58 124.34 2ab0 h GLU 17 Ca 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2ab0 h GLU 17 Cb 0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ab0 h GLU 17 CO -0.03 0.25 -0.02 0.00 -1.00 0.00 0.00 179.01 178.22 2ab0 h ALA 18 N 0.96 -0.05 -0.33 3.43 0.00 -1.12 -2.77 119.26 119.38 2ab0 h ALA 18 Ca 0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2ab0 h ALA 18 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ab0 h ALA 18 CO -0.01 -0.38 -0.31 0.28 0.00 0.00 0.00 179.25 178.83 2ab0 h VAL 19 N -0.35 1.29 -0.62 0.00 2.07 -0.97 -1.39 116.25 116.28 2ab0 h VAL 19 Ca -0.01 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.07 2ab0 h VAL 19 Cb 0.32 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2ab0 h VAL 19 CO 0.01 0.48 0.37 0.74 0.02 0.00 0.00 177.57 179.19 2ab0 h THR 20 N 0.56 1.05 -0.22 2.57 2.02 -1.29 -0.72 112.91 116.87 2ab0 h THR 20 Ca 0.05 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2ab0 h THR 20 Cb 0.89 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2ab0 h THR 20 CO 0.08 0.13 0.12 0.74 0.37 0.00 0.00 175.52 176.95 2ab0 h THR 21 N 0.72 1.12 -0.11 3.16 2.02 -1.30 -1.35 112.91 117.17 2ab0 h THR 21 Ca 0.25 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 67.13 2ab0 h THR 21 Cb 0.06 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2ab0 h THR 21 CO -0.12 0.12 -0.07 0.40 0.37 0.00 0.00 175.52 176.22 2ab0 h ILE 22 N 0.24 0.79 -0.18 3.11 2.04 -0.93 -1.20 117.51 121.39 2ab0 h ILE 22 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 2ab0 h ILE 22 Cb 0.08 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2ab0 h ILE 22 CO -0.01 0.00 0.03 -0.78 0.00 0.00 0.00 178.15 177.39 2ab0 h ASP 23 N -0.07 0.00 -0.65 1.72 1.82 -1.00 -1.43 116.42 116.81 2ab0 h ASP 23 Ca 0.07 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 2ab0 h ASP 23 Cb 0.16 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 2ab0 h ASP 23 CO -0.15 0.03 0.33 -0.07 -1.61 0.00 0.00 179.24 177.76 2ab0 h LEU 24 N 0.10 0.84 -0.58 2.28 4.07 -1.03 -0.55 115.31 120.44 2ab0 h LEU 24 Ca 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2ab0 h LEU 24 Cb 0.08 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 2ab0 h LEU 24 CO -0.11 0.72 0.32 -0.07 -1.08 0.00 0.00 178.44 178.22 2ab0 h LEU 25 N 0.89 0.72 -0.73 1.67 3.38 -0.81 -0.68 115.31 119.76 2ab0 h LEU 25 Ca 0.23 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2ab0 h LEU 25 Cb 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2ab0 h LEU 25 CO -0.03 0.61 0.29 0.58 0.09 0.00 0.00 178.44 179.97 2ab0 h VAL 26 N 0.78 1.25 -0.11 1.22 2.07 -0.91 -1.08 116.25 119.48 2ab0 h VAL 26 Ca 0.20 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2ab0 h VAL 26 Cb 0.04 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2ab0 h VAL 26 CO -0.03 0.32 0.07 0.03 0.02 0.00 0.00 177.57 177.98 2ab0 h ARG 27 N 1.05 0.07 0.00 1.57 3.08 -0.64 -0.29 114.38 119.23 2ab0 h ARG 27 Ca 0.24 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2ab0 h ARG 27 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2ab0 h ARG 27 CO -0.02 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 2ab0 n GLY 28 N -1.54 -1.00 1.86 0.04 0.00 -0.31 -4.87 105.19 99.38 2ab0 n GLY 28 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2ab0 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ab0 n GLY 29 N 0.99 0.46 3.73 -0.02 0.00 -0.12 -4.97 105.19 105.26 2ab0 n GLY 29 Ca 0.24 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2ab0 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ab0 s ILE 30 N -2.00 5.18 -0.15 -0.61 1.01 -0.52 -4.63 121.20 119.48 2ab0 s ILE 30 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 2ab0 s ILE 30 Cb 0.00 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2ab0 s ILE 30 CO 0.00 0.34 1.14 -0.75 0.00 0.00 0.00 174.94 175.67 2ab0 s LYS 31 N 0.51 4.30 -0.18 2.79 2.20 -0.50 -3.80 119.74 125.06 2ab0 s LYS 31 Ca 0.26 1.52 -0.05 0.00 -0.36 0.00 0.00 55.97 57.34 2ab0 s LYS 31 Cb -0.15 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2ab0 s LYS 31 CO 0.10 -0.55 0.00 0.08 -0.36 0.00 0.00 175.35 174.62 2ab0 s VAL 32 N 2.85 4.15 -0.16 4.02 1.01 -1.26 -0.74 120.40 130.27 2ab0 s VAL 32 Ca 0.51 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 2ab0 s VAL 32 Cb -0.20 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2ab0 s VAL 32 CO 0.14 0.46 -0.02 -0.89 0.00 0.00 0.00 175.10 174.79 2ab0 s THR 33 N 0.57 4.00 -0.11 3.92 2.01 -0.29 -4.98 115.64 120.77 2ab0 s THR 33 Ca -0.01 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 2ab0 s THR 33 Cb -0.14 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2ab0 s THR 33 CO 0.02 0.49 0.24 0.42 -0.69 0.00 0.00 174.62 175.10 2ab0 s THR 34 N 0.39 5.34 -0.10 -0.82 -4.23 -1.26 -0.81 115.64 114.15 2ab0 s THR 34 Ca -0.03 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 2ab0 s THR 34 Cb -0.14 -3.53 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 2ab0 s THR 34 CO 0.03 0.54 -0.24 0.00 -0.54 0.00 0.00 174.62 174.41 2ab0 s ALA 35 N -0.57 2.17 -0.07 3.99 0.00 -0.37 -1.74 121.76 125.18 2ab0 s ALA 35 Ca 0.17 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 2ab0 s ALA 35 Cb -0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2ab0 s ALA 35 CO 0.06 0.29 0.99 0.45 0.00 0.00 0.00 175.76 177.55 2ab0 s SER 36 N 0.34 7.29 -0.07 0.00 0.15 -0.20 -0.68 113.70 120.53 2ab0 s SER 36 Ca -0.19 1.58 0.03 0.00 0.70 0.00 0.00 55.95 58.07 2ab0 s SER 36 Cb -0.18 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 2ab0 s SER 36 CO 0.09 -0.37 -0.16 -0.69 1.20 0.00 0.00 173.24 173.31 2ab0 s VAL 37 N 1.62 2.91 -1.45 4.45 1.01 0.25 -0.91 120.40 128.30 2ab0 s VAL 37 Ca 0.50 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 2ab0 s VAL 37 Cb -0.19 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.07 2ab0 s VAL 37 CO 0.22 0.57 0.95 0.00 0.00 0.00 0.00 175.10 176.84 2ab0 n ALA 38 N 2.68 -1.20 -0.48 5.51 0.00 -1.26 -4.52 120.51 121.23 2ab0 n ALA 38 Ca -0.17 0.31 0.02 0.00 0.00 0.00 0.00 53.44 53.59 2ab0 n ALA 38 Cb 0.52 -4.71 0.02 0.00 0.00 0.00 0.00 19.45 15.29 2ab0 n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ab0 n SER 39 N -2.80 1.52 -2.36 0.00 7.64 -1.26 -4.94 113.62 111.41 2ab0 n SER 39 Ca -0.01 -1.95 -0.20 0.00 1.01 0.00 0.00 58.87 57.71 2ab0 n SER 39 Cb 0.57 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2ab0 n SER 39 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ab0 n ASP 40 N -0.51 -5.77 0.00 6.43 8.00 -1.26 -2.20 116.55 121.23 2ab0 n ASP 40 Ca 0.02 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2ab0 n ASP 40 Cb 0.39 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 2ab0 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ab0 n GLY 41 N -0.97 0.11 3.71 0.44 0.00 -1.26 -5.05 105.19 102.17 2ab0 n GLY 41 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2ab0 n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ab0 s ASN 42 N -2.10 6.79 0.05 1.61 3.84 -0.94 -4.63 114.94 119.57 2ab0 s ASN 42 Ca 0.00 2.35 0.26 0.00 0.21 0.00 0.00 52.86 55.68 2ab0 s ASN 42 Cb 0.00 -2.58 0.61 0.00 -0.55 0.00 0.00 41.25 38.72 2ab0 s ASN 42 CO 0.00 -0.69 1.50 0.18 -2.79 0.00 0.00 177.10 175.30 2ab0 n LEU 43 N 4.14 0.49 -4.64 3.21 4.77 -1.26 -4.81 117.00 118.91 2ab0 n LEU 43 Ca 0.12 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 2ab0 n LEU 43 Cb 0.42 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2ab0 n LEU 43 CO 0.59 0.02 0.67 0.00 -1.33 0.00 0.00 177.39 177.34 2ab0 s ALA 44 N -3.06 3.62 -0.20 -1.18 0.00 -1.26 -0.85 121.76 118.84 2ab0 s ALA 44 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 2ab0 s ALA 44 Cb 0.16 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2ab0 s ALA 44 CO 0.67 -1.01 -0.15 0.42 0.00 0.00 0.00 175.76 175.69 2ab0 s ILE 45 N 2.93 2.47 -0.33 0.00 -1.09 0.28 -4.98 121.20 120.47 2ab0 s ILE 45 Ca 0.35 -0.82 -0.16 0.00 -2.23 0.00 0.00 60.65 57.79 2ab0 s ILE 45 Cb -0.15 -2.08 -0.01 0.00 -1.58 0.00 0.00 42.46 38.64 2ab0 s ILE 45 CO 0.09 0.48 0.43 -0.89 -1.23 0.00 0.00 174.94 173.82 2ab0 s THR 46 N 1.34 5.10 0.89 2.92 2.01 -1.26 -0.99 115.64 125.66 2ab0 s THR 46 Ca 0.05 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 2ab0 s THR 46 Cb -0.14 -3.87 0.17 0.00 0.01 0.00 0.00 72.50 68.68 2ab0 s THR 46 CO -0.10 -0.11 1.24 0.00 -0.69 0.00 0.00 174.62 174.96 2ab0 h SER 48 N -1.34 0.00 -0.17 0.00 4.64 -1.09 -1.08 113.55 114.52 2ab0 h SER 48 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ab0 h SER 48 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ab0 h SER 48 CO 0.42 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.99 2ab0 n ARG 49 N -4.24 2.36 -0.34 4.77 3.00 -1.26 -4.96 116.66 115.98 2ab0 n ARG 49 Ca -0.03 -2.70 0.00 0.00 -0.01 0.00 0.00 57.85 55.11 2ab0 n ARG 49 Cb 0.14 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 30.91 2ab0 n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ab0 n GLY 50 N -0.80 0.79 3.72 -0.13 0.00 -0.41 -5.04 105.19 103.32 2ab0 n GLY 50 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2ab0 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ab0 s VAL 51 N -2.75 2.71 -0.21 1.61 1.01 -1.26 -4.67 120.40 116.84 2ab0 s VAL 51 Ca 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 2ab0 s VAL 51 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2ab0 s VAL 51 CO 0.00 0.05 0.06 -0.54 0.00 0.00 0.00 175.10 174.66 2ab0 s LYS 52 N 0.96 3.80 0.20 2.72 1.02 -1.26 -0.43 119.74 126.75 2ab0 s LYS 52 Ca 0.68 -0.42 0.10 0.00 0.02 0.00 0.00 55.97 56.35 2ab0 s LYS 52 Cb -0.43 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2ab0 s LYS 52 CO 0.32 0.07 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.18 2ab0 s LEU 53 N 0.92 2.84 -0.22 3.17 1.43 -0.16 -4.96 118.68 121.70 2ab0 s LEU 53 Ca 0.03 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 2ab0 s LEU 53 Cb -0.14 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2ab0 s LEU 53 CO 0.03 0.09 -0.03 -0.76 0.23 0.00 0.00 176.35 175.91 2ab0 s LEU 54 N -2.90 3.00 0.65 1.79 1.43 -1.26 -0.56 118.68 120.82 2ab0 s LEU 54 Ca 0.25 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 2ab0 s LEU 54 Cb -0.08 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2ab0 s LEU 54 CO 0.14 -0.00 1.06 0.00 0.23 0.00 0.00 176.35 177.79 2ab0 s ALA 55 N 1.37 2.66 0.09 4.21 0.00 -0.03 -4.99 121.76 125.08 2ab0 s ALA 55 Ca 0.04 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 2ab0 s ALA 55 Cb -0.14 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2ab0 s ALA 55 CO -0.01 -1.06 1.40 -0.44 0.00 0.00 0.00 175.76 175.65 2ab0 h ASP 56 N -0.10 0.73 -5.06 0.00 3.32 -1.67 -3.46 116.42 110.18 2ab0 h ASP 56 Ca -0.46 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.06 2ab0 h ASP 56 Cb 1.22 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.44 2ab0 h ASP 56 CO 0.56 1.08 0.01 0.00 -1.72 0.00 0.00 179.24 179.17 2ab0 s ALA 57 N -4.27 -1.10 0.38 3.45 0.00 -1.00 -5.03 121.76 114.19 2ab0 s ALA 57 Ca -0.12 0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 2ab0 s ALA 57 Cb 0.08 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 2ab0 s ALA 57 CO 0.83 -0.68 1.32 -2.14 0.00 0.00 0.00 175.76 175.09 2ab0 s PRO 58 N -3.79 4.09 0.31 0.00 0.02 -1.26 -1.04 135.00 133.34 2ab0 s PRO 58 Ca 0.03 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.33 2ab0 s PRO 58 Cb 0.01 -2.87 0.73 0.00 0.02 0.00 0.00 34.50 32.39 2ab0 s PRO 58 CO -0.12 -0.41 1.81 1.25 -0.33 0.00 0.00 177.00 179.20 2ab0 h LEU 59 N 2.91 0.78 -0.89 -5.54 5.85 -1.32 -0.62 115.31 116.48 2ab0 h LEU 59 Ca -0.50 0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.51 2ab0 h LEU 59 Cb 1.24 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 42.08 2ab0 h LEU 59 CO 0.64 0.33 0.41 0.58 -0.34 0.00 0.00 178.44 180.05 2ab0 h VAL 60 N 0.79 0.51 0.00 1.05 2.07 -1.91 -0.04 116.25 118.71 2ab0 h VAL 60 Ca 0.54 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.85 2ab0 h VAL 60 Cb 0.81 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2ab0 h VAL 60 CO -0.32 0.08 -0.29 -0.33 0.02 0.00 0.00 177.57 176.73 2ab0 h GLU 61 N 0.44 0.00 -0.00 1.57 4.39 -1.48 -3.36 114.58 116.14 2ab0 h GLU 61 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2ab0 h GLU 61 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2ab0 h GLU 61 CO -0.50 0.29 -0.09 1.33 -1.16 0.00 0.00 179.01 178.87 2ab0 n VAL 62 N -3.21 0.00 0.27 3.13 0.24 -0.68 -4.74 118.33 113.34 2ab0 n VAL 62 Ca 0.02 -0.46 0.11 0.00 -2.04 0.00 0.00 64.34 61.97 2ab0 n VAL 62 Cb 0.61 1.03 0.73 0.00 -1.47 0.00 0.00 33.84 34.74 2ab0 n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ab0 h ALA 63 N 0.55 1.72 -0.00 2.33 0.00 -1.19 -1.39 119.26 121.28 2ab0 h ALA 63 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ab0 h ALA 63 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ab0 h ALA 63 CO 0.00 0.05 -0.04 -0.40 0.00 0.00 0.00 179.25 178.86 2ab0 n ASP 64 N -4.18 0.23 -4.28 0.00 5.68 -1.26 -4.97 116.55 107.77 2ab0 n ASP 64 Ca -0.03 -0.57 -0.30 0.00 -0.50 0.00 0.00 54.79 53.39 2ab0 n ASP 64 Cb 0.12 -0.13 0.17 0.00 -1.14 0.00 0.00 41.12 40.14 2ab0 n ASP 64 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2ab0 s GLY 65 N -2.37 1.74 -0.65 6.12 0.00 -0.53 -4.98 107.32 106.64 2ab0 s GLY 65 Ca 0.34 -1.08 -0.24 0.00 0.00 0.00 0.00 44.72 43.74 2ab0 s GLY 65 CO 0.44 -0.36 1.04 -0.54 0.00 0.00 0.00 173.10 173.68 2ab0 s GLU 66 N -5.81 3.18 -0.15 2.90 0.41 -1.26 -4.99 118.70 112.99 2ab0 s GLU 66 Ca 0.71 -0.55 -0.07 0.00 -0.41 0.00 0.00 54.97 54.66 2ab0 s GLU 66 Cb -0.06 -4.18 0.06 0.00 -1.78 0.00 0.00 34.13 28.18 2ab0 s GLU 66 CO 0.52 -1.83 0.33 0.71 -0.49 0.00 0.00 175.26 174.50 2ab0 s TYR 67 N 4.46 -0.51 -0.17 1.61 2.02 -1.26 -4.83 117.35 118.67 2ab0 s TYR 67 Ca 0.27 1.10 0.27 0.00 -0.37 0.00 0.00 57.07 58.34 2ab0 s TYR 67 Cb -0.14 0.13 0.76 0.00 -0.40 0.00 0.00 41.96 42.31 2ab0 s TYR 67 CO 0.13 -0.34 1.76 -0.44 -1.57 0.00 0.00 175.55 175.09 2ab0 h ASP 68 N 7.63 0.00 -4.19 2.29 3.32 -1.58 -3.45 116.42 120.44 2ab0 h ASP 68 Ca -0.28 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.61 2ab0 h ASP 68 Cb 1.14 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.46 2ab0 h ASP 68 CO 0.25 0.05 -0.41 0.54 -1.72 0.00 0.00 179.24 177.95 2ab0 s VAL 69 N -3.40 0.02 -0.16 -1.35 0.11 -1.22 -2.17 120.40 112.23 2ab0 s VAL 69 Ca 0.04 -0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.87 2ab0 s VAL 69 Cb 0.07 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2ab0 s VAL 69 CO 0.62 -0.10 -0.06 -0.51 -3.33 0.00 0.00 175.10 171.72 2ab0 s ILE 70 N -0.34 3.63 -0.16 7.04 2.07 -0.66 -1.30 121.20 131.48 2ab0 s ILE 70 Ca -0.05 -0.45 -0.03 0.00 -1.41 0.00 0.00 60.65 58.72 2ab0 s ILE 70 Cb -0.03 -2.59 -0.02 0.00 0.13 0.00 0.00 42.46 39.95 2ab0 s ILE 70 CO 0.01 0.49 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.78 2ab0 s VAL 71 N 0.50 3.53 -0.43 4.00 1.01 0.41 -0.96 120.40 128.46 2ab0 s VAL 71 Ca -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2ab0 s VAL 71 Cb -0.15 -2.54 0.11 0.00 0.00 0.00 0.00 36.38 33.80 2ab0 s VAL 71 CO 0.03 0.49 0.24 -0.76 0.00 0.00 0.00 175.10 175.10 2ab0 s LEU 72 N 0.61 5.35 0.92 3.92 1.43 0.63 -1.48 118.68 130.07 2ab0 s LEU 72 Ca -0.04 -2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 50.92 2ab0 s LEU 72 Cb -0.15 -1.87 0.14 0.00 0.03 0.00 0.00 46.19 44.35 2ab0 s LEU 72 CO 0.03 -0.57 1.11 -2.84 0.23 0.00 0.00 176.35 174.31 2ab0 s PRO 73 N 1.16 1.04 0.00 1.29 0.02 -1.26 -1.93 135.00 135.32 2ab0 s PRO 73 Ca 0.08 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.40 2ab0 s PRO 73 Cb -0.23 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2ab0 s PRO 73 CO -0.03 -2.53 0.00 0.41 -0.33 0.00 0.00 177.00 174.51 2ab0 n GLY 74 N -0.15 1.43 0.40 0.52 0.00 -1.06 -4.54 105.19 101.79 2ab0 n GLY 74 Ca 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2ab0 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ab0 n GLY 75 N 5.00 -1.06 0.36 -0.02 0.00 -1.26 -0.94 105.19 107.27 2ab0 n GLY 75 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.19 2ab0 n GLY 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ab0 h ILE 76 N 0.00 1.07 0.04 -0.61 -0.00 -1.96 0.98 117.51 117.03 2ab0 h ILE 76 Ca 0.00 -0.33 -0.22 0.00 -0.00 0.00 0.00 64.86 64.31 2ab0 h ILE 76 Cb 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 36.82 36.83 2ab0 h ILE 76 CO 0.00 0.17 -1.03 0.11 -0.00 0.00 0.00 178.15 177.41 2ab0 h LYS 77 N 0.96 0.12 -0.51 2.19 1.57 -1.88 -0.71 116.57 118.31 2ab0 h LYS 77 Ca 0.36 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2ab0 h LYS 77 Cb 0.17 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2ab0 h LYS 77 CO -0.12 1.04 0.12 0.78 -0.57 0.00 0.00 179.45 180.70 2ab0 h GLY 78 N 2.31 0.88 1.18 3.86 0.00 -1.17 -1.36 103.07 108.77 2ab0 h GLY 78 Ca -0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 2ab0 h GLY 78 CO 0.15 0.51 0.13 0.00 0.00 0.00 0.00 176.54 177.33 2ab0 h ALA 79 N 1.00 1.04 -0.80 3.60 0.00 -0.72 -0.61 119.26 122.76 2ab0 h ALA 79 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ab0 h ALA 79 Cb 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2ab0 h ALA 79 CO 0.00 0.63 0.47 0.93 0.00 0.00 0.00 179.25 181.28 2ab0 h GLU 80 N 0.96 1.10 -0.34 0.00 5.08 -1.02 0.11 114.58 120.47 2ab0 h GLU 80 Ca 0.20 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2ab0 h GLU 80 Cb 0.37 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2ab0 h GLU 80 CO 0.00 0.77 -0.10 0.00 -1.00 0.00 0.00 179.01 178.68 2ab0 h PHE 82 N 0.53 0.34 -0.96 0.00 0.04 -0.70 -3.06 116.94 113.12 2ab0 h PHE 82 Ca 0.10 -0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.90 2ab0 h PHE 82 Cb 0.50 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.49 2ab0 h PHE 82 CO 0.02 0.45 0.62 -0.09 -0.60 0.00 0.00 178.31 178.71 2ab0 h ARG 83 N 0.13 1.04 -0.25 1.51 2.43 -0.57 -2.55 114.38 116.13 2ab0 h ARG 83 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ab0 h ARG 83 Cb 0.28 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2ab0 h ARG 83 CO 0.00 0.69 0.00 -0.25 -1.51 0.00 0.00 179.97 178.90 2ab0 n ASP 84 N -4.52 2.35 -4.50 -3.80 8.00 -0.46 -4.77 116.55 108.86 2ab0 n ASP 84 Ca 0.15 -1.83 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 2ab0 n ASP 84 Cb 0.23 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.08 2ab0 n ASP 84 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ab0 s SER 85 N -1.53 6.16 0.26 -2.24 0.15 -0.96 -4.96 113.70 110.58 2ab0 s SER 85 Ca 0.34 -0.60 -0.04 0.00 0.70 0.00 0.00 55.95 56.35 2ab0 s SER 85 Cb 0.19 -2.20 0.32 0.00 -1.71 0.00 0.00 66.02 62.62 2ab0 s SER 85 CO 0.28 -0.47 1.83 0.71 1.20 0.00 0.00 173.24 176.79 2ab0 h THR 86 N 5.64 1.24 -0.25 6.45 1.35 -1.86 -1.39 112.91 124.10 2ab0 h THR 86 Ca -0.28 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2ab0 h THR 86 Cb 1.12 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2ab0 h THR 86 CO 0.75 0.30 0.16 0.25 -0.25 0.00 0.00 175.52 176.73 2ab0 h LEU 87 N 0.98 0.30 0.02 3.87 5.85 -1.94 0.35 115.31 124.74 2ab0 h LEU 87 Ca 0.23 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2ab0 h LEU 87 Cb 0.21 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2ab0 h LEU 87 CO -0.02 0.23 -0.07 0.25 -0.34 0.00 0.00 178.44 178.50 2ab0 h LEU 88 N 0.33 -0.20 -0.54 2.25 7.12 -1.73 0.18 115.31 122.72 2ab0 h LEU 88 Ca 0.09 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 2ab0 h LEU 88 Cb -0.02 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 2ab0 h LEU 88 CO -0.02 -0.11 0.33 0.58 -0.13 0.00 0.00 178.44 179.09 2ab0 h VAL 89 N -0.14 1.16 -0.54 1.05 2.07 -1.07 -0.88 116.25 117.91 2ab0 h VAL 89 Ca 0.02 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2ab0 h VAL 89 Cb 0.16 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2ab0 h VAL 89 CO -0.06 0.16 0.16 -0.33 0.02 0.00 0.00 177.57 177.52 2ab0 h GLU 90 N 0.72 0.80 -0.53 1.57 4.39 -0.81 -1.18 114.58 119.54 2ab0 h GLU 90 Ca 0.19 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2ab0 h GLU 90 Cb -0.02 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2ab0 h GLU 90 CO -0.04 0.70 0.13 1.15 -1.16 0.00 0.00 179.01 179.80 2ab0 h THR 91 N 0.78 1.24 -0.41 1.13 2.02 -0.38 -0.12 112.91 117.17 2ab0 h THR 91 Ca 0.18 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2ab0 h THR 91 Cb 0.24 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2ab0 h THR 91 CO -0.01 0.32 0.26 0.58 0.37 0.00 0.00 175.52 177.04 2ab0 h VAL 92 N 0.75 1.13 -0.94 3.16 2.07 -0.84 0.65 116.25 122.24 2ab0 h VAL 92 Ca 0.17 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2ab0 h VAL 92 Cb 0.34 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2ab0 h VAL 92 CO 0.00 0.13 0.62 0.11 0.02 0.00 0.00 177.57 178.45 2ab0 h LYS 93 N 0.55 1.23 -0.51 1.57 1.57 -1.01 -1.66 116.57 118.31 2ab0 h LYS 93 Ca 0.15 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 2ab0 h LYS 93 Cb -0.01 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 2ab0 h LYS 93 CO -0.03 0.82 -0.13 0.37 -0.57 0.00 0.00 179.45 179.91 2ab0 h GLN 94 N 1.27 0.99 -0.45 3.15 5.75 -0.48 -0.52 115.11 124.82 2ab0 h GLN 94 Ca 0.34 -0.38 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 2ab0 h GLN 94 Cb -0.14 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.31 2ab0 h GLN 94 CO -0.07 1.06 0.21 0.74 -2.65 0.00 0.00 178.83 178.11 2ab0 h PHE 95 N 0.85 0.37 -0.20 3.99 0.04 -0.50 -0.80 116.94 120.71 2ab0 h PHE 95 Ca 0.13 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 2ab0 h PHE 95 Cb 0.70 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2ab0 h PHE 95 CO 0.05 0.18 0.12 1.25 -0.60 0.00 0.00 178.31 179.30 2ab0 h HIS 96 N 0.41 0.26 0.00 -0.55 2.76 -1.00 0.17 115.15 117.20 2ab0 h HIS 96 Ca 0.20 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2ab0 h HIS 96 Cb 0.14 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2ab0 h HIS 96 CO -0.12 0.21 -0.20 0.07 -1.30 0.00 0.00 177.93 176.59 2ab0 h ARG 97 N 0.23 0.00 -0.60 5.26 0.11 -0.81 -1.12 114.38 117.45 2ab0 h ARG 97 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2ab0 h ARG 97 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 2ab0 h ARG 97 CO -0.01 0.20 0.00 -1.13 0.10 0.00 0.00 179.97 179.13 2ab0 n SER 98 N -3.37 3.35 0.00 0.08 3.41 -0.33 -4.92 113.62 111.85 2ab0 n SER 98 Ca 0.00 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 2ab0 n SER 98 Cb 0.41 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2ab0 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ab0 n GLY 99 N 0.87 0.46 3.92 5.00 0.00 -0.42 -5.04 105.19 109.99 2ab0 n GLY 99 Ca 0.17 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2ab0 n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ab0 s ARG 100 N -1.70 2.47 -0.02 1.61 0.52 0.03 -5.03 118.95 116.84 2ab0 s ARG 100 Ca 0.00 -1.62 -0.16 0.00 -0.52 0.00 0.00 55.73 53.43 2ab0 s ARG 100 Cb 0.00 -2.41 -0.06 0.00 0.52 0.00 0.00 34.95 33.01 2ab0 s ARG 100 CO 0.00 -0.40 0.44 0.42 0.02 0.00 0.00 175.30 175.77 2ab0 s ILE 101 N -2.55 5.03 -0.19 1.52 1.01 -0.92 -4.33 121.20 120.77 2ab0 s ILE 101 Ca 0.48 0.90 -0.05 0.00 0.00 0.00 0.00 60.65 61.98 2ab0 s ILE 101 Cb -0.04 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2ab0 s ILE 101 CO 0.29 0.53 -0.01 -0.69 0.00 0.00 0.00 174.94 175.05 2ab0 s VAL 102 N -0.73 3.95 -0.14 2.92 1.01 -0.83 -1.65 120.40 124.93 2ab0 s VAL 102 Ca 0.24 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2ab0 s VAL 102 Cb -0.17 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.46 2ab0 s VAL 102 CO 0.13 0.45 -0.17 0.00 0.00 0.00 0.00 175.10 175.51 2ab0 s ALA 103 N 0.80 1.93 -0.00 5.51 0.00 -0.13 -0.95 121.76 128.91 2ab0 s ALA 103 Ca -0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 2ab0 s ALA 103 Cb -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2ab0 s ALA 103 CO 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 175.76 175.59 2ab0 s ALA 104 N 1.16 0.00 0.08 0.00 0.00 -0.00 -0.27 121.76 122.72 2ab0 s ALA 104 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2ab0 s ALA 104 Cb -0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2ab0 s ALA 104 CO -0.06 -0.01 -0.18 -1.50 0.00 0.00 0.00 175.76 174.01 2ab0 s ILE 105 N 0.12 1.45 0.00 0.00 2.07 -0.81 -1.92 121.20 122.11 2ab0 s ILE 105 Ca -0.01 -1.36 0.00 0.00 -1.41 0.00 0.00 60.65 57.87 2ab0 s ILE 105 Cb -0.01 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.25 2ab0 s ILE 105 CO -0.00 -0.07 0.00 0.00 -1.91 0.00 0.00 174.94 172.96 2ab0 h ALA 107 N -0.47 0.89 -0.56 0.00 0.00 -1.89 -0.62 119.26 116.60 2ab0 h ALA 107 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2ab0 h ALA 107 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ab0 h ALA 107 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.42 2ab0 h ALA 108 N 2.45 0.74 0.22 0.00 0.00 -1.60 -1.47 119.26 119.59 2ab0 h ALA 108 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ab0 h ALA 108 Cb 0.78 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2ab0 h ALA 108 CO 0.00 0.41 -0.25 -1.35 0.00 0.00 0.00 179.25 178.06 2ab0 h PRO 109 N 0.79 -0.50 -0.34 0.00 0.11 -1.78 0.76 132.00 131.04 2ab0 h PRO 109 Ca 0.18 0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 2ab0 h PRO 109 Cb 0.30 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2ab0 h PRO 109 CO -0.00 -0.33 -0.13 0.00 -0.21 0.00 0.00 178.00 177.32 2ab0 h ALA 110 N 0.16 1.14 0.14 -0.75 0.00 -1.82 -1.60 119.26 116.53 2ab0 h ALA 110 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 54.91 54.29 2ab0 h ALA 110 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ab0 h ALA 110 CO -0.08 0.54 -1.69 1.15 0.00 0.00 0.00 179.25 179.18 2ab0 h THR 111 N 0.54 0.98 0.00 0.00 2.02 -1.14 -3.37 112.91 111.94 2ab0 h THR 111 Ca 0.10 -2.63 -0.39 0.00 0.77 0.00 0.00 66.41 64.26 2ab0 h THR 111 Cb 0.54 2.70 -0.06 0.00 -1.74 0.00 0.00 68.15 69.60 2ab0 h THR 111 CO 0.03 0.82 -2.29 0.52 0.37 0.00 0.00 175.52 174.97 2ab0 n VAL 112 N -3.48 1.42 -0.00 3.16 0.31 0.25 -4.51 118.33 115.47 2ab0 n VAL 112 Ca -0.21 -0.31 -0.18 0.00 -0.01 0.00 0.00 64.34 63.63 2ab0 n VAL 112 Cb 1.06 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 32.00 2ab0 n VAL 112 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ab0 h LEU 113 N -0.92 0.73 0.11 7.52 3.38 -1.25 -3.28 115.31 121.59 2ab0 h LEU 113 Ca -0.59 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 56.68 2ab0 h LEU 113 Cb 1.51 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2ab0 h LEU 113 CO -0.36 1.32 -0.05 0.58 0.09 0.00 0.00 178.44 180.02 2ab0 h VAL 114 N 0.21 1.10 0.00 1.22 2.07 -1.56 -2.05 116.25 117.24 2ab0 h VAL 114 Ca -0.07 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2ab0 h VAL 114 Cb 1.37 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2ab0 h VAL 114 CO 0.14 0.21 -0.01 -0.65 0.02 0.00 0.00 177.57 177.29 2ab0 h PRO 115 N -0.57 0.00 -0.16 1.57 0.11 -1.74 -1.00 132.00 130.22 2ab0 h PRO 115 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2ab0 h PRO 115 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2ab0 h PRO 115 CO 0.02 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 178.54 2ab0 n HIS 116 N -3.98 0.18 -3.66 0.65 8.25 -1.20 -4.95 115.22 110.50 2ab0 n HIS 116 Ca -0.03 -0.09 -0.27 0.00 -0.26 0.00 0.00 57.72 57.07 2ab0 n HIS 116 Cb 0.09 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.23 2ab0 n HIS 116 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ab0 n ASP 117 N 1.20 -5.09 0.04 0.41 2.03 -0.38 -4.86 116.55 109.89 2ab0 n ASP 117 Ca 0.16 -0.61 -0.06 0.00 0.52 0.00 0.00 54.79 54.80 2ab0 n ASP 117 Cb 0.56 -4.08 0.13 0.00 -0.72 0.00 0.00 41.12 37.00 2ab0 n ASP 117 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2ab0 h ILE 118 N -1.91 1.32 -2.09 5.18 2.04 -1.70 -3.36 117.51 116.98 2ab0 h ILE 118 Ca -0.55 -1.68 -0.57 0.00 1.00 0.00 0.00 64.86 63.05 2ab0 h ILE 118 Cb 1.36 1.72 -0.40 0.00 -0.74 0.00 0.00 36.82 38.75 2ab0 h ILE 118 CO 0.62 0.52 -0.87 0.49 0.00 0.00 0.00 178.15 178.90 2ab0 n PHE 119 N -3.98 1.55 0.53 1.37 3.72 -1.26 -4.98 117.46 114.41 2ab0 n PHE 119 Ca -0.02 -3.85 0.11 0.00 -0.05 0.00 0.00 57.45 53.65 2ab0 n PHE 119 Cb 0.54 -0.45 0.45 0.00 -0.94 0.00 0.00 39.48 39.08 2ab0 n PHE 119 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ab0 n PRO 120 N 1.05 0.15 -4.34 -1.08 -0.04 -1.26 -4.65 135.00 124.84 2ab0 n PRO 120 Ca 0.25 0.30 -0.17 0.00 -0.04 0.00 0.00 63.50 63.84 2ab0 n PRO 120 Cb 0.48 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 2ab0 n PRO 120 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2ab0 s ILE 121 N -3.17 0.62 0.00 0.52 -4.36 -1.26 -5.02 121.20 108.53 2ab0 s ILE 121 Ca 0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 2ab0 s ILE 121 Cb 0.11 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 41.17 2ab0 s ILE 121 CO 0.42 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.21 2ab0 n GLY 122 N -0.50 2.49 3.76 6.27 0.00 -1.26 -5.02 105.19 110.94 2ab0 n GLY 122 Ca -0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 2ab0 n GLY 122 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ab0 s ASN 123 N 0.00 7.10 -0.12 1.61 0.02 -1.26 -4.75 114.94 117.54 2ab0 s ASN 123 Ca 0.00 2.21 -0.24 0.00 -1.02 0.00 0.00 52.86 53.81 2ab0 s ASN 123 Cb 0.00 -2.62 0.06 0.00 0.02 0.00 0.00 41.25 38.71 2ab0 s ASN 123 CO 0.00 -0.26 0.58 0.00 0.02 0.00 0.00 177.10 177.45 2ab0 s MET 124 N -1.76 0.83 0.51 -0.60 0.23 -0.44 -4.64 119.30 113.43 2ab0 s MET 124 Ca 0.48 0.45 0.00 0.00 -1.03 0.00 0.00 55.69 55.60 2ab0 s MET 124 Cb -0.29 0.39 -0.00 0.00 -1.53 0.00 0.00 34.83 33.40 2ab0 s MET 124 CO 0.37 -0.19 0.02 -2.37 -2.03 0.00 0.00 175.02 170.82 2ab0 n THR 125 N 1.81 0.00 -3.01 3.16 5.66 -1.26 -1.77 114.28 118.88 2ab0 n THR 125 Ca -0.17 -2.47 0.00 0.00 -3.05 0.00 0.00 64.05 58.36 2ab0 n THR 125 Cb 0.56 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 69.88 2ab0 n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ab0 n GLY 126 N -1.20 -1.14 3.72 1.09 0.00 -1.26 -4.43 105.19 101.97 2ab0 n GLY 126 Ca -0.20 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2ab0 n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ab0 s PHE 127 N -3.00 2.92 0.42 1.61 5.36 -0.24 -4.53 117.98 120.52 2ab0 s PHE 127 Ca 0.00 0.42 0.08 0.00 -0.96 0.00 0.00 56.93 56.48 2ab0 s PHE 127 Cb 0.00 -4.10 0.90 0.00 -0.34 0.00 0.00 43.02 39.48 2ab0 s PHE 127 CO 0.00 -4.11 2.06 -1.35 -1.46 0.00 0.00 175.22 170.36 2ab0 h PRO 128 N 6.66 0.50 0.00 10.12 0.11 -1.93 -0.42 132.00 147.04 2ab0 h PRO 128 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ab0 h PRO 128 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ab0 h PRO 128 CO 0.94 0.33 0.00 0.25 -0.21 0.00 0.00 178.00 179.31 2ab0 n THR 129 N -4.48 0.21 -0.49 -1.15 -2.24 -1.26 -1.64 114.28 103.23 2ab0 n THR 129 Ca 0.04 0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 2ab0 n THR 129 Cb 0.09 -0.65 0.35 0.00 -2.10 0.00 0.00 70.33 68.02 2ab0 n THR 129 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ab0 n LEU 130 N -1.28 4.52 -0.32 3.22 4.77 -0.17 -4.62 117.00 123.12 2ab0 n LEU 130 Ca 0.12 -2.28 0.09 0.00 -0.03 0.00 0.00 56.01 53.91 2ab0 n LEU 130 Cb 0.20 -0.56 0.26 0.00 -2.33 0.00 0.00 43.42 40.99 2ab0 n LEU 130 CO 0.19 0.82 1.13 0.50 -1.33 0.00 0.00 177.39 178.70 2ab0 h LYS 131 N 4.05 0.64 0.00 3.23 3.64 -1.30 -1.55 116.57 125.29 2ab0 h LYS 131 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ab0 h LYS 131 Cb 1.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2ab0 h LYS 131 CO 0.19 0.43 0.00 -0.44 -2.27 0.00 0.00 179.45 177.36 2ab0 h ASP 132 N 0.66 0.00 1.11 4.20 3.32 -1.84 -1.98 116.42 121.90 2ab0 h ASP 132 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 2ab0 h ASP 132 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2ab0 h ASP 132 CO -0.38 0.00 -0.07 0.29 -1.72 0.00 0.00 179.24 177.36 2ab0 n LYS 133 N -2.41 0.10 -3.81 3.56 4.76 -0.58 -4.74 118.16 115.05 2ab0 n LYS 133 Ca 0.01 0.08 -0.36 0.00 -2.87 0.00 0.00 58.31 55.18 2ab0 n LYS 133 Cb 0.22 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.70 2ab0 n LYS 133 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ab0 s ILE 134 N -3.04 5.05 0.24 -0.18 1.01 -0.75 -4.91 121.20 118.62 2ab0 s ILE 134 Ca 0.12 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 2ab0 s ILE 134 Cb 0.16 -3.32 -0.15 0.00 0.01 0.00 0.00 42.46 39.17 2ab0 s ILE 134 CO 0.58 0.40 1.09 -2.65 0.00 0.00 0.00 174.94 174.35 2ab0 n PRO 135 N 3.98 1.31 -0.29 2.79 -0.02 -1.26 -4.69 135.00 136.83 2ab0 n PRO 135 Ca -0.16 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 2ab0 n PRO 135 Cb 0.52 -1.89 0.20 0.00 -0.02 0.00 0.00 33.50 32.31 2ab0 n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ab0 h ALA 136 N 2.64 1.22 0.00 3.55 0.00 -1.92 0.13 119.26 124.89 2ab0 h ALA 136 Ca -0.41 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ab0 h ALA 136 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ab0 h ALA 136 CO 0.65 -0.04 0.00 -0.85 0.00 0.00 0.00 179.25 179.01 2ab0 n GLU 137 N -4.84 0.23 -0.03 0.00 0.00 -1.26 -3.29 120.64 111.45 2ab0 n GLU 137 Ca 0.15 0.30 -0.05 0.00 0.00 0.00 0.00 57.16 57.56 2ab0 n GLU 137 Cb 0.38 -1.83 -0.13 0.00 0.00 0.00 0.00 31.44 29.85 2ab0 n GLU 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2ab0 n GLN 138 N -2.25 0.65 -2.14 3.44 6.02 0.41 -4.95 117.38 118.56 2ab0 n GLN 138 Ca 0.04 0.13 -0.41 0.00 -0.01 0.00 0.00 57.00 56.75 2ab0 n GLN 138 Cb 0.35 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 2ab0 n GLN 138 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2ab0 s TRP 139 N -2.74 3.14 -0.02 1.08 -0.11 -0.84 -1.33 118.94 118.12 2ab0 s TRP 139 Ca -0.06 1.26 0.02 0.00 1.22 0.00 0.00 56.10 58.54 2ab0 s TRP 139 Cb 0.08 -3.67 0.00 0.00 -1.50 0.00 0.00 33.47 28.38 2ab0 s TRP 139 CO 0.83 -2.02 -0.07 -0.51 -4.62 0.00 0.00 176.95 170.56 2ab0 s LEU 140 N -0.82 1.82 -0.87 5.86 1.43 -0.73 -4.89 118.68 120.49 2ab0 s LEU 140 Ca 0.54 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 2ab0 s LEU 140 Cb -0.39 -0.44 0.15 0.00 0.03 0.00 0.00 46.19 45.54 2ab0 s LEU 140 CO 0.45 0.06 0.98 -0.62 0.23 0.00 0.00 176.35 177.44 2ab0 s ASP 141 N 0.13 6.63 -0.17 2.29 -1.08 -1.26 -4.20 116.67 119.01 2ab0 s ASP 141 Ca -0.02 -2.17 -0.18 0.00 -0.52 0.00 0.00 52.55 49.66 2ab0 s ASP 141 Cb -0.07 -2.33 0.05 0.00 -1.46 0.00 0.00 42.92 39.11 2ab0 s ASP 141 CO 0.00 -0.92 0.49 -0.75 0.52 0.00 0.00 175.17 174.51 2ab0 s LYS 142 N 1.93 0.61 0.24 4.34 2.20 -1.26 -5.06 119.74 122.75 2ab0 s LYS 142 Ca 0.26 0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 56.43 2ab0 s LYS 142 Cb -0.08 0.30 0.38 0.00 -1.51 0.00 0.00 37.83 36.91 2ab0 s LYS 142 CO -0.08 -0.09 1.83 0.00 -0.36 0.00 0.00 175.35 176.65 2ab0 h ARG 143 N 5.11 0.85 -4.43 4.03 3.08 -1.95 -3.41 114.38 117.66 2ab0 h ARG 143 Ca -0.28 -0.05 -0.35 0.00 0.07 0.00 0.00 59.98 59.37 2ab0 h ARG 143 Cb 1.17 -0.19 -0.29 0.00 0.08 0.00 0.00 29.97 30.74 2ab0 h ARG 143 CO 0.22 0.56 -0.76 0.08 -1.07 0.00 0.00 179.97 178.99 2ab0 s VAL 144 N -6.04 0.52 -0.09 2.04 1.01 -1.26 -2.95 120.40 113.63 2ab0 s VAL 144 Ca -0.12 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2ab0 s VAL 144 Cb 0.19 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2ab0 s VAL 144 CO 0.79 0.15 -0.13 -0.69 0.00 0.00 0.00 175.10 175.22 2ab0 s VAL 145 N -0.07 1.28 -0.17 2.92 1.01 0.10 -5.00 120.40 120.46 2ab0 s VAL 145 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2ab0 s VAL 145 Cb -0.04 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2ab0 s VAL 145 CO -0.00 0.40 -0.16 0.86 0.00 0.00 0.00 175.10 176.20 2ab0 s TRP 146 N 0.93 2.80 -0.41 5.22 -0.00 -1.26 -0.84 118.94 125.38 2ab0 s TRP 146 Ca -0.09 -1.28 -0.04 0.00 -0.00 0.00 0.00 56.10 54.69 2ab0 s TRP 146 Cb -0.15 -1.93 0.11 0.00 -0.00 0.00 0.00 33.47 31.50 2ab0 s TRP 146 CO 0.00 -0.63 0.22 0.34 -0.00 0.00 0.00 176.95 176.89 2ab0 s ASP 147 N 1.11 5.33 0.50 5.86 -1.08 -0.09 -4.96 116.67 123.34 2ab0 s ASP 147 Ca 0.00 -1.95 0.27 0.00 -0.52 0.00 0.00 52.55 50.36 2ab0 s ASP 147 Cb -0.14 -1.86 1.31 0.00 -1.46 0.00 0.00 42.92 40.76 2ab0 s ASP 147 CO -0.06 -0.56 1.99 0.00 0.52 0.00 0.00 175.17 177.07 2ab0 h ALA 148 N 8.13 1.16 -0.21 3.66 0.00 -1.96 -0.70 119.26 129.34 2ab0 h ALA 148 Ca -0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2ab0 h ALA 148 Cb 1.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ab0 h ALA 148 CO 0.72 0.18 0.02 0.00 0.00 0.00 0.00 179.25 180.17 2ab0 h ARG 149 N 0.00 0.31 -0.00 0.00 3.08 -1.96 -3.08 114.38 112.72 2ab0 h ARG 149 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2ab0 h ARG 149 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2ab0 h ARG 149 CO 0.02 0.32 0.00 1.33 -1.07 0.00 0.00 179.97 180.57 2ab0 n VAL 150 N -4.38 0.44 -3.83 2.04 0.24 -1.05 -5.01 118.33 106.78 2ab0 n VAL 150 Ca 0.00 -0.72 -0.25 0.00 -2.04 0.00 0.00 64.34 61.33 2ab0 n VAL 150 Cb 0.18 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 2ab0 n VAL 150 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ab0 n LYS 151 N -0.22 -3.43 -4.18 7.34 5.02 -0.31 -4.84 118.16 117.53 2ab0 n LYS 151 Ca 0.00 0.48 -0.34 0.00 -2.02 0.00 0.00 58.31 56.43 2ab0 n LYS 151 Cb 0.11 -4.66 -0.15 0.00 -0.02 0.00 0.00 35.03 30.31 2ab0 n LYS 151 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2ab0 s LEU 152 N -6.80 2.48 -0.19 -0.35 2.96 -0.96 -1.96 118.68 113.87 2ab0 s LEU 152 Ca 0.08 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2ab0 s LEU 152 Cb -0.03 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2ab0 s LEU 152 CO 0.86 0.02 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.63 2ab0 s LEU 153 N 1.19 2.90 0.20 -0.68 2.96 -0.12 -0.92 118.68 124.21 2ab0 s LEU 153 Ca 0.02 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2ab0 s LEU 153 Cb -0.14 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 2ab0 s LEU 153 CO -0.06 0.05 -0.11 0.42 -1.32 0.00 0.00 176.35 175.33 2ab0 s THR 154 N 1.07 1.50 0.28 3.68 -4.23 -0.02 -0.82 115.64 117.10 2ab0 s THR 154 Ca 0.01 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.22 2ab0 s THR 154 Cb -0.15 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.65 2ab0 s THR 154 CO -0.01 -0.58 0.60 -0.55 -0.54 0.00 0.00 174.62 173.54 2ab0 s SER 155 N -3.29 -0.10 -0.23 3.99 0.15 -0.81 -0.72 113.70 112.70 2ab0 s SER 155 Ca 0.22 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 56.07 2ab0 s SER 155 Cb 0.01 0.67 -0.20 0.00 -1.71 0.00 0.00 66.02 64.79 2ab0 s SER 155 CO 0.06 -1.28 -0.08 0.00 1.20 0.00 0.00 173.24 173.14 2ab0 n GLN 156 N -0.43 0.67 -3.50 5.44 6.02 -1.15 -0.87 117.38 123.55 2ab0 n GLN 156 Ca -0.03 0.13 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 2ab0 n GLN 156 Cb 0.61 -1.55 0.02 0.00 1.02 0.00 0.00 30.24 30.34 2ab0 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ab0 n GLY 157 N 2.10 0.63 0.36 1.08 0.00 -1.26 -2.91 105.19 105.20 2ab0 n GLY 157 Ca -0.41 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 44.61 2ab0 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ab0 h PRO 158 N 0.00 0.87 0.00 1.61 0.11 -1.98 -0.70 132.00 131.90 2ab0 h PRO 158 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2ab0 h PRO 158 Cb 1.00 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2ab0 h PRO 158 CO 0.30 0.57 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 2ab0 n GLY 159 N -1.36 -1.10 0.98 -0.55 0.00 -1.26 -2.43 105.19 99.46 2ab0 n GLY 159 Ca 0.19 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2ab0 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ab0 n THR 160 N -1.48 1.13 0.05 2.61 -2.24 -0.28 -4.64 114.28 109.44 2ab0 n THR 160 Ca 0.05 -1.06 -0.02 0.00 -2.27 0.00 0.00 64.05 60.75 2ab0 n THR 160 Cb 0.20 0.43 0.25 0.00 -2.10 0.00 0.00 70.33 69.12 2ab0 n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ab0 h ALA 161 N 2.97 1.21 0.10 6.98 0.00 -1.41 -1.06 119.26 128.05 2ab0 h ALA 161 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ab0 h ALA 161 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2ab0 h ALA 161 CO 0.03 0.51 -0.05 0.82 0.00 0.00 0.00 179.25 180.57 2ab0 h ILE 162 N 0.35 0.97 -0.92 0.00 2.04 -1.82 -0.69 117.51 117.44 2ab0 h ILE 162 Ca 0.06 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.76 2ab0 h ILE 162 Cb 0.61 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 2ab0 h ILE 162 CO 0.04 0.06 0.55 0.44 0.00 0.00 0.00 178.15 179.25 2ab0 h ASP 163 N -0.26 0.79 0.29 1.72 3.45 -1.76 -0.13 116.42 120.52 2ab0 h ASP 163 Ca -0.01 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2ab0 h ASP 163 Cb 0.21 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2ab0 h ASP 163 CO 0.02 0.43 -0.14 0.15 -1.57 0.00 0.00 179.24 178.13 2ab0 h PHE 164 N 0.88 -0.36 -0.86 4.55 3.57 -1.06 -2.00 116.94 121.66 2ab0 h PHE 164 Ca 0.45 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.91 2ab0 h PHE 164 Cb 0.45 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 2ab0 h PHE 164 CO -0.03 -0.15 0.41 0.78 -2.23 0.00 0.00 178.31 177.08 2ab0 h GLY 165 N -0.50 1.32 1.21 2.40 0.00 -0.72 -2.34 103.07 104.44 2ab0 h GLY 165 Ca -0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 2ab0 h GLY 165 CO 0.07 0.63 0.29 1.41 0.00 0.00 0.00 176.54 178.94 2ab0 h LEU 166 N 1.22 0.93 -0.84 3.11 3.38 -0.97 -1.80 115.31 120.34 2ab0 h LEU 166 Ca 0.29 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2ab0 h LEU 166 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ab0 h LEU 166 CO -0.04 0.81 -0.33 0.50 0.09 0.00 0.00 178.44 179.48 2ab0 h LYS 167 N 1.00 0.47 -0.44 1.13 1.63 -0.96 0.10 116.57 119.51 2ab0 h LYS 167 Ca 0.24 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2ab0 h LYS 167 Cb 0.17 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2ab0 h LYS 167 CO -0.02 0.75 0.29 0.82 -3.45 0.00 0.00 179.45 177.84 2ab0 h ILE 168 N 0.41 1.11 -0.22 2.00 2.04 -1.05 -0.62 117.51 121.18 2ab0 h ILE 168 Ca 0.05 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2ab0 h ILE 168 Cb 0.78 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2ab0 h ILE 168 CO 0.06 0.11 0.14 0.40 0.00 0.00 0.00 178.15 178.86 2ab0 h ILE 169 N 0.59 1.04 -0.65 -0.67 2.04 -0.90 -0.87 117.51 118.10 2ab0 h ILE 169 Ca 0.16 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2ab0 h ILE 169 Cb -0.07 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 2ab0 h ILE 169 CO -0.03 0.05 0.26 -0.78 0.00 0.00 0.00 178.15 177.65 2ab0 h ASP 170 N 0.29 0.28 0.10 1.72 3.58 -0.68 0.40 116.42 122.10 2ab0 h ASP 170 Ca 0.08 0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.46 2ab0 h ASP 170 Cb -0.02 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2ab0 h ASP 170 CO -0.03 0.15 -0.54 -0.07 -2.88 0.00 0.00 179.24 175.88 2ab0 h LEU 171 N 0.45 0.53 0.00 2.28 3.38 -0.78 -2.35 115.31 118.81 2ab0 h LEU 171 Ca 0.33 -0.28 -0.32 0.00 0.09 0.00 0.00 57.88 57.70 2ab0 h LEU 171 Cb 0.41 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2ab0 h LEU 171 CO -0.31 0.96 -1.99 0.18 0.09 0.00 0.00 178.44 177.37 2ab0 n LEU 172 N -3.95 0.53 0.00 1.67 4.77 -0.36 -4.68 117.00 114.98 2ab0 n LEU 172 Ca -0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2ab0 n LEU 172 Cb 0.59 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 2ab0 n LEU 172 CO 0.46 0.44 0.03 0.52 -1.33 0.00 0.00 177.39 177.51 2ab0 n VAL 173 N -2.93 0.00 0.00 4.08 0.31 0.05 -4.91 118.33 114.94 2ab0 n VAL 173 Ca -0.24 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2ab0 n VAL 173 Cb 1.10 1.37 0.00 0.00 -0.91 0.00 0.00 33.84 35.40 2ab0 n VAL 173 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ab0 n GLY 174 N 0.12 2.29 0.26 2.92 0.00 -0.74 -4.58 105.19 105.46 2ab0 n GLY 174 Ca 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.95 2ab0 n GLY 174 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ab0 h ARG 175 N 0.00 0.64 -0.60 1.61 2.43 -1.86 -1.91 114.38 114.70 2ab0 h ARG 175 Ca 0.00 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2ab0 h ARG 175 Cb 0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2ab0 h ARG 175 CO 0.00 0.76 0.36 1.49 -1.51 0.00 0.00 179.97 181.08 2ab0 h GLU 176 N 0.58 0.81 -0.13 0.20 4.81 -1.87 -1.00 114.58 117.97 2ab0 h GLU 176 Ca 0.10 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 2ab0 h GLU 176 Cb 0.59 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2ab0 h GLU 176 CO 0.04 0.58 -0.59 -0.22 -0.73 0.00 0.00 179.01 178.08 2ab0 h LYS 177 N 0.81 0.43 -0.47 1.92 1.63 -1.73 -0.65 116.57 118.50 2ab0 h LYS 177 Ca 0.21 -0.29 0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2ab0 h LYS 177 Cb -0.03 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 2ab0 h LYS 177 CO -0.04 0.90 0.23 0.00 -3.45 0.00 0.00 179.45 177.09 2ab0 h ALA 178 N 1.03 0.60 -0.63 5.00 0.00 -0.99 -0.78 119.26 123.49 2ab0 h ALA 178 Ca -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2ab0 h ALA 178 Cb 1.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2ab0 h ALA 178 CO 0.10 -0.12 0.15 1.25 0.00 0.00 0.00 179.25 180.63 2ab0 h HIS 179 N 0.46 1.07 -0.44 0.00 -0.00 -0.98 -0.24 115.15 115.01 2ab0 h HIS 179 Ca 0.21 -0.13 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 2ab0 h HIS 179 Cb 0.13 -0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.19 2ab0 h HIS 179 CO -0.11 0.89 0.16 1.49 -0.00 0.00 0.00 177.93 180.37 2ab0 h GLU 180 N 0.93 0.32 0.01 5.26 4.81 -0.70 0.10 114.58 125.32 2ab0 h GLU 180 Ca 0.20 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2ab0 h GLU 180 Cb 0.37 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2ab0 h GLU 180 CO 0.00 0.21 -0.01 0.28 -0.73 0.00 0.00 179.01 178.77 2ab0 h VAL 181 N 0.33 1.19 -0.98 0.32 2.07 -1.00 -3.14 116.25 115.04 2ab0 h VAL 181 Ca 0.21 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.22 2ab0 h VAL 181 Cb 0.20 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 2ab0 h VAL 181 CO -0.21 0.16 0.63 0.00 0.02 0.00 0.00 177.57 178.17 2ab0 h ALA 182 N 0.71 1.52 0.00 1.67 0.00 -0.71 -2.06 119.26 120.39 2ab0 h ALA 182 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ab0 h ALA 182 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ab0 h ALA 182 CO 0.00 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 2ab0 n SER 183 N -4.56 0.50 -0.84 0.00 3.41 -0.01 -1.91 113.62 110.22 2ab0 n SER 183 Ca 0.17 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.51 2ab0 n SER 183 Cb 0.30 -0.74 0.14 0.00 -0.26 0.00 0.00 64.21 63.65 2ab0 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ab0 n GLN 184 N -2.08 1.99 0.03 4.33 6.02 -0.78 -4.57 117.38 122.33 2ab0 n GLN 184 Ca 0.02 -1.89 0.11 0.00 -0.01 0.00 0.00 57.00 55.23 2ab0 n GLN 184 Cb 0.18 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 2ab0 n GLN 184 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ab0 n LEU 185 N 1.06 0.53 -3.19 1.08 4.77 -0.80 -4.99 117.00 115.46 2ab0 n LEU 185 Ca 0.14 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 2ab0 n LEU 185 Cb 0.48 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.59 2ab0 n LEU 185 CO 0.12 0.01 0.07 0.52 -1.33 0.00 0.00 177.39 176.77 2ab0 n VAL 186 N -2.12 -7.07 -2.42 4.08 0.31 -1.26 -4.98 118.33 104.88 2ab0 n VAL 186 Ca 0.00 -0.86 -0.35 0.00 -0.01 0.00 0.00 64.34 63.12 2ab0 n VAL 186 Cb 0.48 -5.54 -0.02 0.00 -0.91 0.00 0.00 33.84 27.85 2ab0 n VAL 186 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 2ab0 s MET 187 N -4.79 3.77 0.60 5.55 1.00 -1.26 -5.01 119.30 119.17 2ab0 s MET 187 Ca 0.21 1.54 -0.20 0.00 0.00 0.00 0.00 55.69 57.25 2ab0 s MET 187 Cb -0.03 -2.24 -0.03 0.00 0.00 0.00 0.00 34.83 32.53 2ab0 s MET 187 CO 0.68 -0.49 1.29 0.00 0.00 0.00 0.00 175.02 176.51 2ab0 n ALA 188 N -0.74 1.25 -0.34 3.03 0.00 -1.26 -4.92 120.51 117.53 2ab0 n ALA 188 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.67 2ab0 n ALA 188 Cb 0.50 -2.32 0.29 0.00 0.00 0.00 0.00 19.45 17.92 2ab0 n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ab0 h ALA 189 N 0.89 1.62 -0.02 0.00 0.00 -2.05 -2.79 119.26 116.91 2ab0 h ALA 189 Ca -0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ab0 h ALA 189 Cb 1.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ab0 h ALA 189 CO 0.54 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2ab0 n GLY 190 N -1.36 -0.89 3.75 0.00 0.00 -1.26 -4.82 105.19 100.61 2ab0 n GLY 190 Ca 0.19 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2ab0 n GLY 190 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ab0 s ILE 191 N -1.97 5.16 0.17 -0.61 1.01 -1.05 -5.04 121.20 118.87 2ab0 s ILE 191 Ca 0.11 0.85 -0.31 0.00 0.00 0.00 0.00 60.65 61.31 2ab0 s ILE 191 Cb 0.05 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 2ab0 s ILE 191 CO 0.09 0.40 1.42 -0.47 0.00 0.00 0.00 174.94 176.37 2ab0 s TYR 192 N 0.16 3.17 -1.51 3.97 5.04 -1.26 -4.93 117.35 121.98 2ab0 s TYR 192 Ca 0.24 0.97 0.14 0.00 -2.44 0.00 0.00 57.07 55.97 2ab0 s TYR 192 Cb -0.15 -3.74 0.25 0.00 0.35 0.00 0.00 41.96 38.67 2ab0 s TYR 192 CO 0.10 -2.53 1.14 0.27 -1.34 0.00 0.00 175.55 173.19 2ab0 n ASN 193 N 3.32 2.68 -0.15 4.32 6.94 -1.26 -4.99 115.26 126.12 2ab0 n ASN 193 Ca 0.10 -1.79 -0.02 0.00 -0.02 0.00 0.00 54.58 52.84 2ab0 n ASN 193 Cb 0.41 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.68 2ab0 n ASN 193 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2ab0 n TYR 194 N 0.81 0.00 -2.02 -2.53 4.02 -1.26 -4.03 117.16 112.15 2ab0 n TYR 194 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.60 2ab0 n TYR 194 Cb 0.42 -1.42 -0.01 0.00 -0.02 0.00 0.00 39.34 38.31 2ab0 n TYR 194 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2ab0 s TYR 195 N -1.53 2.88 0.00 -0.72 5.04 -1.26 -4.62 117.35 117.14 2ab0 s TYR 195 Ca 0.00 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 2ab0 s TYR 195 Cb 0.00 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.53 2ab0 s TYR 195 CO 0.00 -2.22 0.00 -0.85 -1.34 0.00 0.00 175.55 171.14