#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvr n LYS 2 N 0.00 0.91 -4.18 0.03 4.76 -1.26 -4.87 118.16 113.56 2vvr n LYS 2 Ca 0.00 -0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.11 2vvr n LYS 2 Cb 0.00 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 2vvr n LYS 2 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2vvr s LYS 3 N -2.50 2.64 -0.11 1.97 1.02 -1.26 -0.42 119.74 121.09 2vvr s LYS 3 Ca -0.09 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.23 2vvr s LYS 3 Cb 0.06 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 2vvr s LYS 3 CO 0.77 -0.18 -0.20 0.42 -0.92 0.00 0.00 175.35 175.24 2vvr s ILE 4 N 1.29 1.79 -0.09 2.17 -1.09 -0.57 -0.47 121.20 124.22 2vvr s ILE 4 Ca 0.02 -0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 57.32 2vvr s ILE 4 Cb -0.13 -1.58 -0.02 0.00 -1.58 0.00 0.00 42.46 39.15 2vvr s ILE 4 CO -0.10 0.50 0.98 0.00 -1.23 0.00 0.00 174.94 175.09 2vvr s ALA 5 N 0.66 3.37 -0.10 9.38 0.00 -0.23 -0.50 121.76 134.34 2vvr s ALA 5 Ca -0.13 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 2vvr s ALA 5 Cb -0.16 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2vvr s ALA 5 CO 0.03 -0.53 -0.01 0.12 0.00 0.00 0.00 175.76 175.37 2vvr s PHE 6 N 1.82 3.11 0.04 0.00 2.19 -0.45 -0.77 117.98 123.92 2vvr s PHE 6 Ca 0.48 0.08 -0.09 0.00 0.33 0.00 0.00 56.93 57.73 2vvr s PHE 6 Cb -0.19 -1.83 0.00 0.00 -1.31 0.00 0.00 43.02 39.70 2vvr s PHE 6 CO 0.19 0.34 0.17 0.20 1.83 0.00 0.00 175.22 177.96 2vvr s GLY 7 N -0.57 0.06 0.19 13.12 0.00 -0.23 -0.54 107.32 119.36 2vvr s GLY 7 Ca 0.09 -0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.28 2vvr s GLY 7 CO 0.02 -0.49 0.59 0.00 0.00 0.00 0.00 173.10 173.23 2vvr n ASP 9 N -0.38 0.00 0.24 0.00 3.85 -1.12 -0.97 116.55 118.19 2vvr n ASP 9 Ca -0.12 -0.92 0.11 0.00 -0.71 0.00 0.00 54.79 53.16 2vvr n ASP 9 Cb 0.63 0.00 0.62 0.00 -1.35 0.00 0.00 41.12 41.01 2vvr n ASP 9 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.20 177.31 2vvr h HIS 10 N -0.14 0.00 0.11 2.11 2.07 -1.81 -0.41 115.15 117.07 2vvr h HIS 10 Ca 0.00 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.28 2vvr h HIS 10 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 2vvr h HIS 10 CO 0.00 0.17 -1.21 0.28 -3.07 0.00 0.00 177.93 174.10 2vvr h VAL 11 N 0.00 1.16 -0.07 6.12 2.07 -1.91 -3.27 116.25 120.35 2vvr h VAL 11 Ca -0.00 -2.41 0.02 0.00 0.82 0.00 0.00 66.70 65.13 2vvr h VAL 11 Cb 0.50 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2vvr h VAL 11 CO 0.02 0.68 0.07 1.23 0.02 0.00 0.00 177.57 179.58 2vvr h GLY 12 N -0.14 0.00 1.13 2.17 0.00 -1.68 -2.80 103.07 101.76 2vvr h GLY 12 Ca -0.26 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.18 2vvr h GLY 12 CO 0.06 0.00 0.33 -2.75 0.00 0.00 0.00 176.54 174.18 2vvr h PHE 13 N 0.00 0.00 0.00 5.60 3.04 -1.12 -2.05 116.94 122.41 2vvr h PHE 13 Ca 0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2vvr h PHE 13 Cb 0.16 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 2vvr h PHE 13 CO 0.00 0.00 -0.03 -0.84 -2.02 0.00 0.00 178.31 175.42 2vvr h ILE 14 N 0.00 0.40 -0.01 1.41 3.07 -1.68 -1.68 117.51 119.03 2vvr h ILE 14 Ca 0.17 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.43 2vvr h ILE 14 Cb 0.84 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2vvr h ILE 14 CO -0.00 0.03 -0.70 0.18 -1.05 0.00 0.00 178.15 176.61 2vvr n LEU 15 N -3.60 1.50 0.15 0.16 4.77 -0.77 -4.73 117.00 114.48 2vvr n LEU 15 Ca -0.03 -0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 55.21 2vvr n LEU 15 Cb 0.13 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2vvr n LEU 15 CO 0.26 0.31 0.66 0.50 -1.33 0.00 0.00 177.39 177.80 2vvr h LYS 16 N 1.26 -0.55 -0.38 3.23 3.64 -1.32 -0.88 116.57 121.57 2vvr h LYS 16 Ca 0.00 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2vvr h LYS 16 Cb 0.63 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2vvr h LYS 16 CO 0.00 -0.36 0.19 1.25 -2.27 0.00 0.00 179.45 178.25 2vvr h HIS 17 N -0.57 0.34 -0.02 1.91 2.76 -1.85 0.99 115.15 118.72 2vvr h HIS 17 Ca 0.01 0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 57.99 2vvr h HIS 17 Cb 0.56 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 2vvr h HIS 17 CO -0.23 0.18 -0.87 0.93 -1.30 0.00 0.00 177.93 176.64 2vvr h GLU 18 N 0.38 0.38 -0.32 5.26 4.39 -1.88 -0.79 114.58 122.01 2vvr h GLU 18 Ca 0.16 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 2vvr h GLU 18 Cb 0.08 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2vvr h GLU 18 CO -0.12 1.04 -0.11 0.82 -1.16 0.00 0.00 179.01 179.49 2vvr h ILE 19 N 0.23 1.29 -0.31 3.13 1.08 -0.86 -1.28 117.51 120.78 2vvr h ILE 19 Ca -0.06 -1.19 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 2vvr h ILE 19 Cb 1.48 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 2vvr h ILE 19 CO 0.15 0.38 0.16 0.58 -0.69 0.00 0.00 178.15 178.73 2vvr h VAL 20 N 0.41 1.14 -0.77 1.67 2.07 -0.81 -1.07 116.25 118.89 2vvr h VAL 20 Ca 0.08 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.26 2vvr h VAL 20 Cb 0.62 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 2vvr h VAL 20 CO 0.04 0.15 0.50 0.00 0.02 0.00 0.00 177.57 178.28 2vvr h ALA 21 N 1.03 1.63 -0.28 1.67 0.00 -1.10 -1.62 119.26 120.58 2vvr h ALA 21 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2vvr h ALA 21 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2vvr h ALA 21 CO -0.02 0.26 -0.30 1.25 0.00 0.00 0.00 179.25 180.45 2vvr h HIS 22 N 0.85 0.85 -0.54 0.00 6.17 -0.90 -1.33 115.15 120.26 2vvr h HIS 22 Ca 0.33 -0.26 0.03 0.00 0.71 0.00 0.00 60.37 61.18 2vvr h HIS 22 Cb 0.19 -0.18 -0.04 0.00 2.52 0.00 0.00 27.41 29.91 2vvr h HIS 22 CO -0.00 1.01 0.31 -0.07 0.71 0.00 0.00 177.93 179.89 2vvr h LEU 23 N 0.45 0.48 -0.63 0.26 3.38 -0.65 -2.04 115.31 116.57 2vvr h LEU 23 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2vvr h LEU 23 Cb 0.88 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2vvr h LEU 23 CO 0.07 0.33 0.29 0.58 0.09 0.00 0.00 178.44 179.81 2vvr h VAL 24 N 0.60 1.22 -0.66 1.22 2.07 -1.22 -1.22 116.25 118.26 2vvr h VAL 24 Ca 0.22 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.23 2vvr h VAL 24 Cb 0.07 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2vvr h VAL 24 CO -0.12 0.26 0.44 -0.33 0.02 0.00 0.00 177.57 177.83 2vvr h GLU 25 N 0.86 0.43 -0.34 1.57 5.08 -0.93 -0.27 114.58 120.98 2vvr h GLU 25 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2vvr h GLU 25 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2vvr h GLU 25 CO -0.03 0.29 0.00 0.54 -1.00 0.00 0.00 179.01 178.81 2vvr n ARG 26 N -4.47 1.76 -1.02 2.33 5.12 -0.79 -4.92 116.66 114.65 2vvr n ARG 26 Ca 0.11 -1.09 -0.01 0.00 -1.93 0.00 0.00 57.85 54.94 2vvr n ARG 26 Cb 0.40 -1.28 -0.00 0.00 -1.16 0.00 0.00 32.46 30.42 2vvr n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2vvr n GLY 27 N 0.92 0.48 3.76 -0.13 0.00 -0.11 -5.02 105.19 105.08 2vvr n GLY 27 Ca 0.10 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 2vvr n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvr s VAL 28 N -2.01 4.83 -0.27 1.61 1.01 -0.52 -4.96 120.40 120.09 2vvr s VAL 28 Ca 0.00 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.12 2vvr s VAL 28 Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2vvr s VAL 28 CO 0.00 0.42 0.72 -0.70 0.00 0.00 0.00 175.10 175.54 2vvr s GLU 29 N -0.26 4.06 -0.24 2.72 2.12 0.44 -4.01 118.70 123.53 2vvr s GLU 29 Ca 0.33 0.62 -0.14 0.00 0.36 0.00 0.00 54.97 56.15 2vvr s GLU 29 Cb -0.19 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 2vvr s GLU 29 CO 0.19 -0.54 0.31 0.08 -0.54 0.00 0.00 175.26 174.76 2vvr s VAL 30 N 2.73 5.25 -0.50 3.70 1.01 -1.26 -1.52 120.40 129.80 2vvr s VAL 30 Ca 0.30 0.47 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 2vvr s VAL 30 Cb -0.15 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.68 2vvr s VAL 30 CO 0.10 0.25 0.48 -0.63 0.00 0.00 0.00 175.10 175.29 2vvr s ILE 31 N 1.52 5.14 -0.46 2.22 -1.09 0.35 -4.98 121.20 123.90 2vvr s ILE 31 Ca 0.13 -1.05 -0.28 0.00 -2.23 0.00 0.00 60.65 57.22 2vvr s ILE 31 Cb -0.15 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 36.53 2vvr s ILE 31 CO 0.08 -0.72 1.08 -0.62 -1.23 0.00 0.00 174.94 173.53 2vvr s ASP 32 N 2.90 6.62 0.00 3.58 3.68 -1.26 -1.34 116.67 130.85 2vvr s ASP 32 Ca 0.06 0.43 0.22 0.00 2.13 0.00 0.00 52.55 55.39 2vvr s ASP 32 Cb -0.25 -2.52 0.75 0.00 -1.45 0.00 0.00 42.92 39.45 2vvr s ASP 32 CO 0.07 -1.17 1.56 0.29 0.13 0.00 0.00 175.17 176.04 2vvr n LYS 33 N 7.60 1.79 0.00 4.34 4.76 0.30 -4.96 118.16 131.99 2vvr n LYS 33 Ca 0.11 -1.18 0.00 0.00 -2.87 0.00 0.00 58.31 54.36 2vvr n LYS 33 Cb 0.49 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2vvr n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vvr n GLY 34 N 1.17 -2.90 3.85 0.72 0.00 -1.25 -4.91 105.19 101.86 2vvr n GLY 34 Ca 0.17 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 2vvr n GLY 34 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2vvr n THR 35 N -0.64 0.00 -0.25 2.61 5.66 -0.14 -0.84 114.28 120.68 2vvr n THR 35 Ca 0.00 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 60.07 2vvr n THR 35 Cb 0.00 -1.48 0.00 0.00 -1.55 0.00 0.00 70.33 67.30 2vvr n THR 35 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2vvr n TRP 36 N -3.96 0.00 -3.81 1.09 8.01 -1.26 -4.84 117.44 112.67 2vvr n TRP 36 Ca 0.17 -0.24 -0.09 0.00 -1.31 0.00 0.00 57.50 56.03 2vvr n TRP 36 Cb 0.58 -0.02 0.03 0.00 -2.01 0.00 0.00 31.31 29.89 2vvr n TRP 36 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2vvr s SER 37 N -0.47 0.04 -0.03 -0.99 1.04 -1.26 -5.04 113.70 106.98 2vvr s SER 37 Ca 0.00 -1.18 0.12 0.00 0.48 0.00 0.00 55.95 55.37 2vvr s SER 37 Cb 0.00 0.84 0.40 0.00 0.10 0.00 0.00 66.02 67.36 2vvr s SER 37 CO 0.00 -1.68 1.30 -1.54 0.98 0.00 0.00 173.24 172.29 2vvr n SER 38 N -1.52 2.61 -4.74 7.02 3.41 -1.26 -4.59 113.62 114.55 2vvr n SER 38 Ca -0.08 -2.12 -0.41 0.00 -0.26 0.00 0.00 58.87 56.00 2vvr n SER 38 Cb 0.60 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2vvr n SER 38 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2vvr s GLU 39 N -1.55 4.45 0.20 4.33 2.02 -1.26 -4.89 118.70 122.00 2vvr s GLU 39 Ca 0.29 1.95 -0.32 0.00 0.02 0.00 0.00 54.97 56.91 2vvr s GLU 39 Cb 0.17 -3.21 -0.14 0.00 0.10 0.00 0.00 34.13 31.05 2vvr s GLU 39 CO 0.17 -0.14 1.40 -2.13 0.02 0.00 0.00 175.26 174.58 2vvr n ARG 40 N 2.42 1.86 -3.90 1.61 0.63 -1.26 -4.55 116.66 113.47 2vvr n ARG 40 Ca 0.05 0.66 -0.10 0.00 -0.92 0.00 0.00 57.85 57.55 2vvr n ARG 40 Cb 0.44 -2.32 -0.06 0.00 0.45 0.00 0.00 32.46 30.97 2vvr n ARG 40 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2vvr s THR 41 N 0.13 0.05 -0.20 5.15 -1.32 -1.26 -5.00 115.64 113.19 2vvr s THR 41 Ca 0.72 -1.22 -0.13 0.00 -1.21 0.00 0.00 61.69 59.85 2vvr s THR 41 Cb -0.71 -1.77 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 2vvr s THR 41 CO 0.48 -0.24 0.29 -1.81 -2.21 0.00 0.00 174.62 171.12 2vvr s ASP 42 N -2.94 6.33 0.43 8.08 1.11 -1.26 -4.61 116.67 123.81 2vvr s ASP 42 Ca 0.15 0.38 0.13 0.00 0.18 0.00 0.00 52.55 53.39 2vvr s ASP 42 Cb 0.02 -2.17 0.92 0.00 1.07 0.00 0.00 42.92 42.76 2vvr s ASP 42 CO -0.01 0.02 1.95 0.10 1.18 0.00 0.00 175.17 178.42 2vvr h TYR 43 N 7.19 0.05 -0.80 4.23 -0.00 -1.99 -3.20 116.97 122.44 2vvr h TYR 43 Ca -0.38 -0.01 0.06 0.00 0.00 0.00 0.00 58.73 58.40 2vvr h TYR 43 Cb 1.16 -0.01 -0.05 0.00 0.00 0.00 0.00 36.73 37.83 2vvr h TYR 43 CO 0.65 0.24 0.52 -1.35 -0.00 0.00 0.00 178.16 178.23 2vvr h PRO 44 N 0.04 0.87 -0.62 0.10 0.11 -1.94 -1.95 132.00 128.62 2vvr h PRO 44 Ca 0.01 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.11 2vvr h PRO 44 Cb 0.38 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 2vvr h PRO 44 CO 0.03 0.58 0.36 1.25 -0.21 0.00 0.00 178.00 180.00 2vvr h HIS 45 N 0.90 0.66 -0.03 0.65 -0.00 -1.99 -0.62 115.15 114.72 2vvr h HIS 45 Ca 0.34 0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.55 2vvr h HIS 45 Cb 0.19 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2vvr h HIS 45 CO -0.00 0.35 -0.77 1.88 -0.00 0.00 0.00 177.93 179.39 2vvr h TYR 46 N 0.69 0.35 -0.34 5.26 -1.99 -1.64 -1.36 116.97 117.94 2vvr h TYR 46 Ca 0.26 -0.17 0.05 0.00 2.00 0.00 0.00 58.73 60.87 2vvr h TYR 46 Cb 0.10 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 2vvr h TYR 46 CO -0.07 0.92 0.07 0.00 -0.00 0.00 0.00 178.16 179.08 2vvr h ALA 47 N 1.03 0.36 -0.15 3.88 0.00 -1.13 -2.49 119.26 120.76 2vvr h ALA 47 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2vvr h ALA 47 Cb 1.35 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2vvr h ALA 47 CO 0.12 -0.34 0.10 0.77 0.00 0.00 0.00 179.25 179.90 2vvr h SER 48 N 0.19 0.18 -0.71 0.00 0.02 -0.80 0.11 113.55 112.54 2vvr h SER 48 Ca 0.16 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2vvr h SER 48 Cb 0.18 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.60 2vvr h SER 48 CO -0.21 0.15 0.33 1.56 -1.14 0.00 0.00 176.83 177.53 2vvr h GLN 49 N 0.19 0.54 -0.11 3.45 1.08 -1.22 0.11 115.11 119.14 2vvr h GLN 49 Ca 0.05 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 2vvr h GLN 49 Cb 0.00 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2vvr h GLN 49 CO -0.01 0.36 -0.38 0.28 -0.95 0.00 0.00 178.83 178.12 2vvr h VAL 50 N 0.55 1.38 -0.34 -0.54 2.07 -1.30 -2.79 116.25 115.29 2vvr h VAL 50 Ca 0.36 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2vvr h VAL 50 Cb 0.42 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2vvr h VAL 50 CO -0.30 0.51 0.17 0.00 0.02 0.00 0.00 177.57 177.97 2vvr h ALA 51 N 0.49 0.44 -0.74 1.67 0.00 -0.67 -1.24 119.26 119.20 2vvr h ALA 51 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2vvr h ALA 51 Cb 1.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2vvr h ALA 51 CO 0.08 -0.02 0.36 -0.07 0.00 0.00 0.00 179.25 179.60 2vvr h LEU 52 N 0.42 0.95 -0.20 0.00 3.38 -0.87 0.13 115.31 119.12 2vvr h LEU 52 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2vvr h LEU 52 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2vvr h LEU 52 CO -0.02 0.80 0.09 0.00 0.09 0.00 0.00 178.44 179.41 2vvr h ALA 53 N 1.34 0.26 0.09 1.53 0.00 -1.18 -1.24 119.26 120.07 2vvr h ALA 53 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2vvr h ALA 53 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2vvr h ALA 53 CO -0.03 -0.17 -0.04 0.28 0.00 0.00 0.00 179.25 179.29 2vvr h VAL 54 N 0.19 1.10 -0.82 0.00 2.07 -1.00 -0.41 116.25 117.37 2vvr h VAL 54 Ca 0.07 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.92 2vvr h VAL 54 Cb 0.14 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 2vvr h VAL 54 CO -0.01 0.17 0.54 0.00 0.02 0.00 0.00 177.57 178.29 2vvr h ALA 55 N 0.43 1.50 -0.16 1.67 0.00 -0.76 -1.62 119.26 120.32 2vvr h ALA 55 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vvr h ALA 55 Cb 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2vvr h ALA 55 CO 0.02 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2vvr n GLY 56 N -1.41 -0.19 2.39 0.00 0.00 -0.47 -4.91 105.19 100.60 2vvr n GLY 56 Ca 0.11 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 2vvr n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvr n GLY 57 N 0.85 1.18 0.11 -0.02 0.00 -0.61 -4.89 105.19 101.81 2vvr n GLY 57 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 2vvr n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vvr h GLU 58 N 0.00 0.00 -4.79 1.61 5.08 -1.29 -3.46 114.58 111.73 2vvr h GLU 58 Ca -0.30 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.76 2vvr h GLU 58 Cb 0.98 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.09 2vvr h GLU 58 CO 0.42 0.73 -0.64 0.14 -1.00 0.00 0.00 179.01 178.66 2vvr s VAL 59 N -3.21 0.51 0.13 3.13 -7.23 -1.18 -5.02 120.40 107.53 2vvr s VAL 59 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 2vvr s VAL 59 Cb 0.11 -2.38 -0.19 0.00 0.56 0.00 0.00 36.38 34.47 2vvr s VAL 59 CO 0.77 -0.21 1.30 0.44 -0.31 0.00 0.00 175.10 177.09 2vvr h ASP 60 N 2.56 0.23 -5.30 4.85 3.32 -1.10 -3.42 116.42 117.56 2vvr h ASP 60 Ca -0.37 -0.21 0.12 0.00 0.02 0.00 0.00 57.03 56.59 2vvr h ASP 60 Cb 1.23 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 2vvr h ASP 60 CO 0.61 1.09 0.49 -0.83 -1.72 0.00 0.00 179.24 178.87 2vvr s GLY 61 N -4.59 0.11 0.03 2.75 0.00 -1.13 -4.94 107.32 99.55 2vvr s GLY 61 Ca -0.02 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.41 2vvr s GLY 61 CO 0.84 1.37 -0.17 -0.32 0.00 0.00 0.00 173.10 174.82 2vvr s GLY 62 N -3.24 0.93 -0.10 0.20 0.00 0.32 -1.07 107.32 104.36 2vvr s GLY 62 Ca 0.19 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.03 2vvr s GLY 62 CO 0.06 -0.84 -0.18 -0.42 0.00 0.00 0.00 173.10 171.72 2vvr s ILE 63 N -0.74 1.68 -0.02 0.90 1.01 0.05 -0.81 121.20 123.27 2vvr s ILE 63 Ca 0.05 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2vvr s ILE 63 Cb -0.08 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 2vvr s ILE 63 CO 0.01 0.48 -0.16 -0.76 0.00 0.00 0.00 174.94 174.51 2vvr s LEU 64 N 0.68 2.00 -0.07 2.97 1.43 0.09 -1.06 118.68 124.72 2vvr s LEU 64 Ca -0.12 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2vvr s LEU 64 Cb -0.16 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.24 2vvr s LEU 64 CO 0.03 0.18 -0.03 -0.63 0.23 0.00 0.00 176.35 176.14 2vvr s ILE 65 N -0.28 0.52 0.00 -0.59 1.01 -0.73 -2.47 121.20 118.66 2vvr s ILE 65 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2vvr s ILE 65 Cb -0.07 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2vvr s ILE 65 CO -0.00 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.20 2vvr h GLY 67 N 0.00 0.27 0.00 0.00 0.00 -1.87 -0.71 103.07 100.77 2vvr h GLY 67 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2vvr h GLY 67 CO 0.00 -0.10 -1.11 -1.30 0.00 0.00 0.00 176.54 174.03 2vvr n THR 68 N -5.23 0.00 -0.03 4.70 -2.24 -1.26 -0.97 114.28 109.24 2vvr n THR 68 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2vvr n THR 68 Cb 0.18 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2vvr n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vvr n GLY 69 N 1.97 2.16 0.08 3.38 0.00 -1.23 -2.75 105.19 108.80 2vvr n GLY 69 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2vvr n GLY 69 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2vvr h VAL 70 N 0.00 1.07 -0.71 1.61 2.07 -1.94 -2.43 116.25 115.94 2vvr h VAL 70 Ca 0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2vvr h VAL 70 Cb 0.00 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2vvr h VAL 70 CO 0.00 0.34 0.45 1.23 0.02 0.00 0.00 177.57 179.62 2vvr h GLY 71 N -0.95 1.00 1.16 2.17 0.00 -1.99 0.99 103.07 105.45 2vvr h GLY 71 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 2vvr h GLY 71 CO 0.01 0.38 0.29 1.19 0.00 0.00 0.00 176.54 178.41 2vvr h ILE 72 N 0.96 1.24 -0.01 2.60 2.10 -1.91 -1.33 117.51 121.16 2vvr h ILE 72 Ca 0.26 -0.77 -0.19 0.00 1.08 0.00 0.00 64.86 65.24 2vvr h ILE 72 Cb -0.08 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 36.01 2vvr h ILE 72 CO -0.05 0.31 -0.84 0.77 -1.08 0.00 0.00 178.15 177.26 2vvr h SER 73 N 1.05 0.30 0.13 2.19 4.64 -0.94 -1.28 113.55 119.64 2vvr h SER 73 Ca 0.24 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2vvr h SER 73 Cb 0.20 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2vvr h SER 73 CO -0.02 1.01 -0.06 0.40 -0.87 0.00 0.00 176.83 177.29 2vvr h ILE 74 N 0.14 0.91 -0.40 0.95 2.04 -0.59 -0.44 117.51 120.12 2vvr h ILE 74 Ca -0.04 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.78 2vvr h ILE 74 Cb 1.45 0.98 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 2vvr h ILE 74 CO 0.13 0.03 -0.32 0.00 0.00 0.00 0.00 178.15 177.99 2vvr h ALA 75 N 0.65 -0.17 -0.96 1.87 0.00 -1.23 -2.31 119.26 117.11 2vvr h ALA 75 Ca -0.02 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2vvr h ALA 75 Cb 0.18 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2vvr h ALA 75 CO 0.03 -0.72 0.62 0.00 0.00 0.00 0.00 179.25 179.17 2vvr h ALA 76 N 0.77 1.30 0.00 0.00 0.00 -1.11 -2.21 119.26 118.01 2vvr h ALA 76 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2vvr h ALA 76 Cb 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2vvr h ALA 76 CO -0.54 0.44 0.00 -0.91 0.00 0.00 0.00 179.25 178.24 2vvr h ASN 77 N 1.16 0.00 0.58 0.00 -0.26 -0.54 -2.06 115.58 114.46 2vvr h ASN 77 Ca 0.40 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.14 2vvr h ASN 77 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 2vvr h ASN 77 CO -0.15 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.51 2vvr n LYS 78 N -3.08 0.03 -3.16 0.81 4.76 -0.83 -4.74 118.16 111.95 2vvr n LYS 78 Ca -0.01 0.26 -0.39 0.00 -2.87 0.00 0.00 58.31 55.30 2vvr n LYS 78 Cb 0.23 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 31.80 2vvr n LYS 78 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2vvr s PHE 79 N -3.05 3.79 0.22 2.13 0.40 -0.78 -5.05 117.98 115.65 2vvr s PHE 79 Ca 0.07 1.35 -0.31 0.00 -0.60 0.00 0.00 56.93 57.44 2vvr s PHE 79 Cb 0.10 -2.62 -0.11 0.00 0.51 0.00 0.00 43.02 40.90 2vvr s PHE 79 CO 0.31 0.48 1.63 0.00 0.70 0.00 0.00 175.22 178.34 2vvr s ALA 80 N -0.76 3.83 0.00 5.36 0.00 -1.26 -2.67 121.76 126.27 2vvr s ALA 80 Ca 0.32 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2vvr s ALA 80 Cb -0.20 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2vvr s ALA 80 CO 0.20 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2vvr n GLY 81 N 3.32 1.43 3.74 0.00 0.00 -1.26 -4.81 105.19 107.60 2vvr n GLY 81 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2vvr n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vvr s ILE 82 N -3.16 5.33 -0.29 -0.61 -1.09 -1.09 -4.84 121.20 115.45 2vvr s ILE 82 Ca 0.00 0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 2vvr s ILE 82 Cb 0.00 -3.58 0.08 0.00 -1.58 0.00 0.00 42.46 37.38 2vvr s ILE 82 CO 0.00 0.42 -0.00 -0.13 -1.23 0.00 0.00 174.94 174.00 2vvr s ARG 83 N 0.32 1.58 -0.16 2.79 0.52 -1.26 -4.78 118.95 117.95 2vvr s ARG 83 Ca 0.14 -1.46 -0.03 0.00 -0.52 0.00 0.00 55.73 53.86 2vvr s ARG 83 Cb -0.13 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 2vvr s ARG 83 CO 0.03 -0.79 -0.05 0.00 0.02 0.00 0.00 175.30 174.51 2vvr s ALA 84 N 1.15 2.92 -0.17 2.13 0.00 -1.26 -0.65 121.76 125.87 2vvr s ALA 84 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 2vvr s ALA 84 Cb -0.19 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2vvr s ALA 84 CO -0.09 0.11 0.08 0.54 0.00 0.00 0.00 175.76 176.40 2vvr s VAL 85 N 0.55 4.95 -0.10 0.00 0.11 0.18 -4.97 120.40 121.12 2vvr s VAL 85 Ca -0.04 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2vvr s VAL 85 Cb -0.15 -3.21 -0.03 0.00 -1.53 0.00 0.00 36.38 31.46 2vvr s VAL 85 CO 0.03 0.49 -0.07 0.54 -3.33 0.00 0.00 175.10 172.76 2vvr s VAL 86 N 0.09 3.65 0.26 2.04 0.11 -1.26 -0.09 120.40 125.20 2vvr s VAL 86 Ca 0.06 -0.48 -0.22 0.00 -2.93 0.00 0.00 61.98 58.42 2vvr s VAL 86 Cb -0.12 -2.53 0.03 0.00 -1.53 0.00 0.00 36.38 32.24 2vvr s VAL 86 CO 0.00 0.56 0.79 0.00 -3.33 0.00 0.00 175.10 173.12 2vvr n SER 88 N -0.55 1.08 -3.65 0.00 3.41 -1.26 -4.54 113.62 108.11 2vvr n SER 88 Ca -0.05 -2.45 -0.11 0.00 -0.26 0.00 0.00 58.87 56.01 2vvr n SER 88 Cb 0.59 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 2vvr n SER 88 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2vvr s GLU 89 N -1.29 1.03 0.38 4.33 4.04 -1.26 -4.98 118.70 120.95 2vvr s GLU 89 Ca 0.14 -0.67 0.20 0.00 0.04 0.00 0.00 54.97 54.68 2vvr s GLU 89 Cb 0.12 0.45 0.61 0.00 0.02 0.00 0.00 34.13 35.34 2vvr s GLU 89 CO 0.01 -0.39 1.69 -1.35 -1.84 0.00 0.00 175.26 173.38 2vvr h PRO 90 N 2.49 0.00 0.19 -4.83 0.11 -1.90 -3.33 132.00 124.73 2vvr h PRO 90 Ca -0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 2vvr h PRO 90 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2vvr h PRO 90 CO 0.47 0.32 -0.09 -0.92 -0.21 0.00 0.00 178.00 177.57 2vvr h TYR 91 N 0.00 -0.24 -0.70 0.65 3.20 -1.97 -0.55 116.97 117.36 2vvr h TYR 91 Ca -0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2vvr h TYR 91 Cb 0.96 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.25 2vvr h TYR 91 CO 0.00 -0.13 0.38 0.77 -1.64 0.00 0.00 178.16 177.53 2vvr h SER 92 N -0.28 0.53 0.28 -2.11 0.02 -2.00 0.19 113.55 110.18 2vvr h SER 92 Ca -0.03 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2vvr h SER 92 Cb 0.22 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2vvr h SER 92 CO 0.04 0.32 -0.16 0.00 -1.14 0.00 0.00 176.83 175.89 2vvr h ALA 93 N 1.39 -0.41 -0.06 3.77 0.00 -1.63 -1.33 119.26 121.00 2vvr h ALA 93 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2vvr h ALA 93 Cb 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2vvr h ALA 93 CO -0.23 -0.74 -0.03 0.37 0.00 0.00 0.00 179.25 178.63 2vvr h GLN 94 N -0.42 -0.02 -0.17 0.00 4.15 -0.81 -2.72 115.11 115.12 2vvr h GLN 94 Ca -0.03 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 2vvr h GLN 94 Cb 0.34 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2vvr h GLN 94 CO 0.04 -0.02 -0.39 1.25 -1.93 0.00 0.00 178.83 177.78 2vvr h LEU 95 N -0.02 0.40 -1.75 -2.39 5.85 -0.95 -2.04 115.31 114.39 2vvr h LEU 95 Ca 0.03 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2vvr h LEU 95 Cb 0.07 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2vvr h LEU 95 CO -0.07 0.75 0.16 0.77 -0.34 0.00 0.00 178.44 179.71 2vvr h SER 96 N 0.32 0.28 0.14 1.25 4.64 -1.05 0.28 113.55 119.41 2vvr h SER 96 Ca 0.03 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2vvr h SER 96 Cb 0.84 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2vvr h SER 96 CO 0.07 0.21 -0.07 0.03 -0.87 0.00 0.00 176.83 176.20 2vvr h ARG 97 N 0.33 -0.19 -0.58 4.77 2.47 -1.13 -1.13 114.38 118.93 2vvr h ARG 97 Ca 0.09 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.85 2vvr h ARG 97 Cb -0.03 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 2vvr h ARG 97 CO -0.02 0.26 0.34 1.96 0.56 0.00 0.00 179.97 183.07 2vvr h GLN 98 N -0.76 0.65 0.00 0.04 4.20 -0.95 -2.58 115.11 115.71 2vvr h GLN 98 Ca -0.02 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.36 2vvr h GLN 98 Cb 0.53 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 2vvr h GLN 98 CO 0.03 0.43 -2.09 0.09 -0.67 0.00 0.00 178.83 176.62 2vvr n ASN 99 N -4.77 1.25 -0.38 1.46 4.13 0.94 -1.48 115.26 116.41 2vvr n ASN 99 Ca 0.05 -0.01 0.04 0.00 1.68 0.00 0.00 54.58 56.34 2vvr n ASN 99 Cb 0.10 0.76 0.05 0.00 -1.54 0.00 0.00 39.78 39.16 2vvr n ASN 99 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2vvr n ASN 100 N -2.64 1.95 -4.11 6.41 4.13 -0.53 -4.79 115.26 115.68 2vvr n ASN 100 Ca -0.27 -1.51 -0.31 0.00 1.68 0.00 0.00 54.58 54.18 2vvr n ASN 100 Cb 1.00 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 39.17 2vvr n ASN 100 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2vvr n ASP 101 N 0.43 -1.39 -4.77 6.41 2.03 -0.59 -4.88 116.55 113.79 2vvr n ASP 101 Ca 0.06 -1.04 -0.40 0.00 0.52 0.00 0.00 54.79 53.93 2vvr n ASP 101 Cb 0.25 -2.77 -0.00 0.00 -0.72 0.00 0.00 41.12 37.88 2vvr n ASP 101 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2vvr s THR 102 N -3.73 2.39 -0.44 5.18 -4.23 -0.92 -4.82 115.64 109.07 2vvr s THR 102 Ca 0.31 0.38 0.04 0.00 -1.18 0.00 0.00 61.69 61.24 2vvr s THR 102 Cb -0.17 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.45 2vvr s THR 102 CO 0.92 0.07 0.48 -0.46 -0.54 0.00 0.00 174.62 175.10 2vvr n ASN 103 N 0.35 0.98 -4.03 3.99 0.23 0.18 -4.82 115.26 112.13 2vvr n ASN 103 Ca 0.02 -0.99 -0.22 0.00 -0.53 0.00 0.00 54.58 52.86 2vvr n ASN 103 Cb 0.42 0.34 -0.16 0.00 -2.08 0.00 0.00 39.78 38.30 2vvr n ASN 103 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2vvr s VAL 104 N -0.72 0.95 -0.11 3.53 1.01 -1.02 -0.52 120.40 123.51 2vvr s VAL 104 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2vvr s VAL 104 Cb 0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2vvr s VAL 104 CO 0.09 0.29 -0.16 -0.22 0.00 0.00 0.00 175.10 175.10 2vvr s LEU 105 N 0.25 2.54 0.08 3.92 2.96 0.01 -0.65 118.68 127.80 2vvr s LEU 105 Ca -0.05 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 2vvr s LEU 105 Cb -0.10 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2vvr s LEU 105 CO 0.01 0.19 -0.19 0.00 -1.32 0.00 0.00 176.35 175.04 2vvr s ALA 106 N 0.22 1.62 0.29 5.97 0.00 0.87 -0.73 121.76 130.01 2vvr s ALA 106 Ca -0.10 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 2vvr s ALA 106 Cb -0.16 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2vvr s ALA 106 CO 0.06 0.32 0.57 -0.59 0.00 0.00 0.00 175.76 176.11 2vvr s PHE 107 N -1.11 0.37 -0.17 0.00 -0.71 -1.03 -2.35 117.98 112.97 2vvr s PHE 107 Ca 0.04 -0.78 -0.01 0.00 -1.04 0.00 0.00 56.93 55.15 2vvr s PHE 107 Cb -0.10 0.33 -0.00 0.00 -1.21 0.00 0.00 43.02 42.04 2vvr s PHE 107 CO 0.03 -1.16 -0.13 0.20 -1.34 0.00 0.00 175.22 172.82 2vvr s GLY 108 N -3.05 1.49 0.59 1.99 0.00 -1.11 -3.18 107.32 104.06 2vvr s GLY 108 Ca 0.21 -1.10 0.39 0.00 0.00 0.00 0.00 44.72 44.22 2vvr s GLY 108 CO 0.11 0.16 2.17 1.48 0.00 0.00 0.00 173.10 177.02 2vvr h SER 109 N 7.58 0.00 -0.11 1.64 4.64 -0.80 0.49 113.55 127.00 2vvr h SER 109 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2vvr h SER 109 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2vvr h SER 109 CO 0.59 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.09 2vvr n ARG 110 N -3.03 2.33 -0.05 4.77 5.12 -0.15 -4.59 116.66 121.08 2vvr n ARG 110 Ca -0.01 -1.96 -0.11 0.00 -1.93 0.00 0.00 57.85 53.84 2vvr n ARG 110 Cb 0.17 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 2vvr n ARG 110 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2vvr n VAL 111 N 1.32 0.81 -4.17 1.55 0.31 -0.48 -5.02 118.33 112.65 2vvr n VAL 111 Ca 0.15 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 64.11 2vvr n VAL 111 Cb 0.59 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 31.72 2vvr n VAL 111 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2vvr s VAL 112 N -2.25 4.08 0.73 2.52 -7.23 0.04 -5.05 120.40 113.24 2vvr s VAL 112 Ca -0.16 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.05 2vvr s VAL 112 Cb 0.05 -2.91 0.05 0.00 0.56 0.00 0.00 36.38 34.13 2vvr s VAL 112 CO 0.20 0.19 1.08 -0.83 -0.31 0.00 0.00 175.10 175.44 2vvr s GLY 113 N -2.11 1.62 0.16 2.32 0.00 -1.26 -4.60 107.32 103.46 2vvr s GLY 113 Ca 0.24 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.17 2vvr s GLY 113 CO 0.16 -0.22 1.77 -2.00 0.00 0.00 0.00 173.10 172.81 2vvr h LEU 114 N -0.73 0.27 -0.33 0.66 5.85 -1.98 -1.46 115.31 117.58 2vvr h LEU 114 Ca -0.45 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.09 2vvr h LEU 114 Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2vvr h LEU 114 CO 0.63 0.20 -0.82 -0.33 -0.34 0.00 0.00 178.44 177.78 2vvr h GLU 115 N 0.39 0.31 -0.62 1.25 4.39 -1.99 -1.03 114.58 117.29 2vvr h GLU 115 Ca 0.17 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2vvr h GLU 115 Cb 0.09 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2vvr h GLU 115 CO -0.13 0.98 0.27 1.25 -1.16 0.00 0.00 179.01 180.23 2vvr h LEU 116 N 0.19 0.83 -0.73 1.33 5.85 -1.94 -2.07 115.31 118.77 2vvr h LEU 116 Ca -0.05 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2vvr h LEU 116 Cb 1.43 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2vvr h LEU 116 CO 0.13 0.75 0.46 0.00 -0.34 0.00 0.00 178.44 179.44 2vvr h ALA 117 N 1.11 0.96 -0.77 1.25 0.00 -0.96 -0.92 119.26 119.94 2vvr h ALA 117 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2vvr h ALA 117 Cb 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2vvr h ALA 117 CO -0.02 0.23 0.42 0.87 0.00 0.00 0.00 179.25 180.75 2vvr h LYS 118 N 0.88 1.07 -0.82 0.00 1.57 -1.02 -0.64 116.57 117.61 2vvr h LYS 118 Ca 0.30 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2vvr h LYS 118 Cb 0.04 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 2vvr h LYS 118 CO -0.12 0.79 0.41 1.98 -0.57 0.00 0.00 179.45 181.94 2vvr h MET 119 N 1.06 1.16 -0.18 3.15 4.05 -0.95 0.85 114.93 124.07 2vvr h MET 119 Ca 0.27 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2vvr h MET 119 Cb 0.03 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 2vvr h MET 119 CO -0.04 0.88 0.05 0.82 0.23 0.00 0.00 176.91 178.85 2vvr h ILE 120 N 1.16 1.19 -0.49 1.77 2.04 -0.73 -1.70 117.51 120.75 2vvr h ILE 120 Ca 0.28 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.59 2vvr h ILE 120 Cb 0.09 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2vvr h ILE 120 CO -0.04 0.19 0.22 0.58 0.00 0.00 0.00 178.15 179.10 2vvr h VAL 121 N 0.12 0.91 -0.81 1.67 2.07 -0.90 -1.44 116.25 117.88 2vvr h VAL 121 Ca 0.06 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2vvr h VAL 121 Cb 0.24 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2vvr h VAL 121 CO -0.00 0.08 0.50 0.44 0.02 0.00 0.00 177.57 178.61 2vvr h ASP 122 N 0.43 0.96 -0.40 0.57 3.32 -0.62 -0.55 116.42 120.13 2vvr h ASP 122 Ca 0.22 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 2vvr h ASP 122 Cb 0.17 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2vvr h ASP 122 CO -0.18 0.73 -0.33 0.00 -1.72 0.00 0.00 179.24 177.74 2vvr h ALA 123 N 1.27 0.62 -0.19 3.45 0.00 -1.05 -0.33 119.26 123.04 2vvr h ALA 123 Ca 0.29 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2vvr h ALA 123 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2vvr h ALA 123 CO -0.06 0.68 -0.03 2.35 0.00 0.00 0.00 179.25 182.19 2vvr h TRP 124 N 0.79 0.39 -0.31 0.00 7.01 -1.02 -2.96 115.95 119.85 2vvr h TRP 124 Ca 0.08 -0.08 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 2vvr h TRP 124 Cb 0.92 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.87 2vvr h TRP 124 CO 0.06 0.59 -0.14 -0.07 -2.79 0.00 0.00 178.44 176.08 2vvr h LEU 125 N 0.08 0.52 -0.18 0.65 3.38 -1.00 -3.19 115.31 115.58 2vvr h LEU 125 Ca 0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2vvr h LEU 125 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2vvr h LEU 125 CO 0.01 0.69 -0.14 0.61 0.09 0.00 0.00 178.44 179.71 2vvr n GLY 126 N -0.57 -1.05 3.86 0.83 0.00 -0.14 -4.72 105.19 103.40 2vvr n GLY 126 Ca 0.01 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 2vvr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvr s ALA 127 N -2.60 3.70 -0.04 4.61 0.00 -1.12 -5.07 121.76 121.24 2vvr s ALA 127 Ca 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 2vvr s ALA 127 Cb 0.20 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 2vvr s ALA 127 CO 0.51 0.53 0.01 -0.65 0.00 0.00 0.00 175.76 176.16 2vvr s GLN 128 N -1.68 2.90 0.11 0.00 -0.21 -1.26 -4.86 119.66 114.67 2vvr s GLN 128 Ca 0.31 -0.51 -0.31 0.00 0.02 0.00 0.00 55.36 54.87 2vvr s GLN 128 Cb -0.15 -2.74 -0.07 0.00 1.00 0.00 0.00 33.01 31.05 2vvr s GLN 128 CO 0.17 0.66 1.28 -0.47 -2.12 0.00 0.00 175.29 174.81 2vvr s TYR 129 N -1.02 3.34 -0.67 0.91 5.04 -1.25 -3.75 117.35 119.96 2vvr s TYR 129 Ca 0.17 1.18 0.23 0.00 -2.44 0.00 0.00 57.07 56.21 2vvr s TYR 129 Cb -0.11 -3.54 0.11 0.00 0.35 0.00 0.00 41.96 38.76 2vvr s TYR 129 CO 0.07 -1.76 1.09 0.39 -1.34 0.00 0.00 175.55 174.00 2vvr n GLU 130 N 3.60 0.25 0.00 4.97 1.02 -0.55 -4.98 120.64 124.94 2vvr n GLU 130 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2vvr n GLU 130 Cb 0.44 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2vvr n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvr n GLY 131 N 1.38 2.53 7.00 0.62 0.00 -1.26 -4.92 105.19 110.54 2vvr n GLY 131 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2vvr n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvr n GLY 132 N 0.00 1.83 0.32 -0.02 0.00 -1.26 -2.80 105.19 103.26 2vvr n GLY 132 Ca 0.00 -0.48 0.20 0.00 0.00 0.00 0.00 46.02 45.75 2vvr n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2vvr h ARG 133 N 0.00 0.00 -0.01 1.61 0.11 -2.01 -2.67 114.38 111.41 2vvr h ARG 133 Ca 0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 2vvr h ARG 133 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2vvr h ARG 133 CO 0.00 0.00 -0.67 0.45 0.10 0.00 0.00 179.97 179.86 2vvr h HIS 134 N 0.00 0.04 -0.95 4.08 3.86 -1.83 -3.28 115.15 117.07 2vvr h HIS 134 Ca -0.00 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2vvr h HIS 134 Cb 0.02 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 2vvr h HIS 134 CO 0.00 0.69 0.63 0.37 0.86 0.00 0.00 177.93 180.48 2vvr h GLN 135 N 0.02 1.25 -0.58 2.45 5.75 -1.64 -0.58 115.11 121.78 2vvr h GLN 135 Ca -0.01 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.48 2vvr h GLN 135 Cb 1.18 -0.28 -0.06 0.00 1.07 0.00 0.00 27.48 29.40 2vvr h GLN 135 CO 0.09 0.83 0.28 0.37 -2.65 0.00 0.00 178.83 177.74 2vvr h GLN 136 N 1.29 0.50 -0.19 1.69 4.15 -1.74 0.37 115.11 121.17 2vvr h GLN 136 Ca 0.35 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 2vvr h GLN 136 Cb -0.14 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 2vvr h GLN 136 CO -0.08 0.33 -0.02 0.00 -1.93 0.00 0.00 178.83 177.13 2vvr h ARG 137 N 0.52 0.35 -0.42 1.69 3.08 -1.42 -1.84 114.38 116.34 2vvr h ARG 137 Ca 0.27 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.24 2vvr h ARG 137 Cb 0.23 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2vvr h ARG 137 CO -0.21 0.59 0.18 0.28 -1.07 0.00 0.00 179.97 179.73 2vvr h VAL 138 N 0.09 0.92 -0.62 2.04 2.07 -0.88 -2.12 116.25 117.75 2vvr h VAL 138 Ca 0.05 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2vvr h VAL 138 Cb 0.44 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2vvr h VAL 138 CO 0.01 0.07 0.41 -0.33 0.02 0.00 0.00 177.57 177.76 2vvr h GLU 139 N 0.37 0.51 -0.33 1.57 5.08 -0.18 -0.97 114.58 120.62 2vvr h GLU 139 Ca 0.19 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2vvr h GLU 139 Cb 0.14 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2vvr h GLU 139 CO -0.16 0.34 -0.18 0.00 -1.00 0.00 0.00 179.01 178.00 2vvr h ALA 140 N 1.68 1.07 -0.28 3.43 0.00 -0.69 -0.65 119.26 123.81 2vvr h ALA 140 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2vvr h ALA 140 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2vvr h ALA 140 CO -0.08 0.57 0.13 0.82 0.00 0.00 0.00 179.25 180.69 2vvr h ILE 141 N 0.55 1.15 -0.63 0.00 2.04 -0.66 -2.62 117.51 117.34 2vvr h ILE 141 Ca 0.09 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2vvr h ILE 141 Cb 0.62 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2vvr h ILE 141 CO 0.04 0.15 0.37 0.74 0.00 0.00 0.00 178.15 179.45 2vvr h THR 142 N 0.32 1.18 -0.81 -0.27 2.02 -1.31 -2.44 112.91 111.60 2vvr h THR 142 Ca 0.10 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.89 2vvr h THR 142 Cb 0.12 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2vvr h THR 142 CO -0.01 0.19 0.54 0.00 0.37 0.00 0.00 175.52 176.60 2vvr h ALA 143 N 1.55 1.47 -0.84 6.16 0.00 -0.75 -1.84 119.26 125.01 2vvr h ALA 143 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2vvr h ALA 143 Cb -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 2vvr h ALA 143 CO -0.04 0.46 0.45 0.82 0.00 0.00 0.00 179.25 180.94 2vvr h ILE 144 N 1.04 1.25 -0.48 0.00 2.04 -1.20 0.39 117.51 120.55 2vvr h ILE 144 Ca 0.31 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2vvr h ILE 144 Cb -0.03 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 2vvr h ILE 144 CO -0.08 0.28 0.32 -0.33 0.00 0.00 0.00 178.15 178.34 2vvr h GLU 145 N 1.18 0.42 0.00 2.37 5.08 -1.31 -3.53 114.58 118.79 2vvr h GLU 145 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2vvr h GLU 145 Cb 0.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2vvr h GLU 145 CO -0.05 0.28 0.00 1.04 -1.00 0.00 0.00 179.01 179.28