#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 0.67 -4.26 0.03 4.76 -1.26 -4.86 118.16 113.24 2vvr n LYS 2 Ca 0.00 0.14 -0.33 0.00 -2.87 0.00 0.00 58.31 55.25 2vvr n LYS 2 Cb 0.00 -1.63 -0.16 0.00 -1.84 0.00 0.00 35.03 31.41 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 -2.54 3.12 -0.10 1.97 1.02 -1.26 -0.60 119.74 121.36 2vvr s LYS 3 Ca -0.13 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.11 2vvr s LYS 3 Cb 0.07 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2vvr s LYS 3 CO 0.79 -0.13 -0.18 0.42 -0.92 0.00 0.00 175.35 175.33 2vvr s ILE 4 N 1.14 1.67 -0.04 2.17 -1.09 -0.52 -0.50 121.20 124.04 2vvr s ILE 4 Ca 0.01 -0.77 -0.29 0.00 -2.23 0.00 0.00 60.65 57.36 2vvr s ILE 4 Cb -0.14 -1.48 -0.02 0.00 -1.58 0.00 0.00 42.46 39.23 2vvr s ILE 4 CO -0.07 0.47 0.97 0.00 -1.23 0.00 0.00 174.94 175.09 2vvr s ALA 5 N 0.64 3.25 -0.10 9.38 0.00 -0.33 -0.12 121.76 134.48 2vvr s ALA 5 Ca -0.13 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 2vvr s ALA 5 Cb -0.16 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2vvr s ALA 5 CO 0.04 -0.35 -0.07 0.12 0.00 0.00 0.00 175.76 175.49 2vvr s PHE 6 N 1.35 2.92 0.02 0.00 2.19 -0.09 -0.81 117.98 123.56 2vvr s PHE 6 Ca 0.50 -0.16 -0.07 0.00 0.33 0.00 0.00 56.93 57.54 2vvr s PHE 6 Cb -0.20 -1.78 -0.00 0.00 -1.31 0.00 0.00 43.02 39.73 2vvr s PHE 6 CO 0.24 0.16 0.12 0.20 1.83 0.00 0.00 175.22 177.77 2vvr s GLY 7 N -0.37 0.10 0.21 13.12 0.00 -0.15 -0.55 107.32 119.69 2vvr s GLY 7 Ca 0.05 -0.32 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 2vvr s GLY 7 CO 0.02 -0.46 0.60 0.00 0.00 0.00 0.00 173.10 173.27 2vvr n ASP 9 N -0.39 0.00 0.22 0.00 3.85 -1.09 -0.86 116.55 118.29 2vvr n ASP 9 Ca -0.10 -1.00 0.08 0.00 -0.71 0.00 0.00 54.79 53.07 2vvr n ASP 9 Cb 0.62 0.00 0.52 0.00 -1.35 0.00 0.00 41.12 40.91 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 -0.05 0.00 0.06 2.11 2.07 -1.80 -0.08 115.15 117.45 2vvr h HIS 10 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 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 0.24 -0.60 0.28 -3.07 0.00 0.00 177.93 174.79 2vvr h VAL 11 N 0.00 1.50 -0.24 6.12 2.07 -1.91 -3.25 116.25 120.54 2vvr h VAL 11 Ca -0.00 -2.39 0.07 0.00 0.82 0.00 0.00 66.70 65.19 2vvr h VAL 11 Cb 0.58 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 2vvr h VAL 11 CO 0.03 0.62 0.24 1.23 0.02 0.00 0.00 177.57 179.71 2vvr h GLY 12 N -0.66 0.00 1.58 2.17 0.00 -1.68 -2.63 103.07 101.84 2vvr h GLY 12 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.25 2vvr h GLY 12 CO 0.03 0.00 0.17 -2.75 0.00 0.00 0.00 176.54 173.99 2vvr h PHE 13 N 0.00 0.00 0.00 5.60 3.04 -1.03 -2.07 116.94 122.47 2vvr h PHE 13 Ca 0.11 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 2vvr h PHE 13 Cb 0.58 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 2vvr h PHE 13 CO 0.00 0.00 -0.02 -0.84 -2.02 0.00 0.00 178.31 175.43 2vvr h ILE 14 N 0.00 0.16 -0.01 1.41 3.07 -1.64 -1.85 117.51 118.65 2vvr h ILE 14 Ca 0.07 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.31 2vvr h ILE 14 Cb 0.41 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 2vvr h ILE 14 CO -0.00 0.02 -0.41 0.18 -1.05 0.00 0.00 178.15 176.88 2vvr n LEU 15 N -3.28 1.85 0.24 0.16 4.77 -0.78 -4.76 117.00 115.20 2vvr n LEU 15 Ca -0.02 -0.76 -0.16 0.00 -0.03 0.00 0.00 56.01 55.04 2vvr n LEU 15 Cb 0.14 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 2vvr n LEU 15 CO 0.24 0.35 0.63 0.50 -1.33 0.00 0.00 177.39 177.77 2vvr h LYS 16 N 2.14 -0.74 -0.47 3.23 3.64 -1.36 -0.97 116.57 122.03 2vvr h LYS 16 Ca 0.00 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2vvr h LYS 16 Cb 0.66 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 2vvr h LYS 16 CO 0.00 -0.49 0.27 1.25 -2.27 0.00 0.00 179.45 178.21 2vvr h HIS 17 N -0.77 0.51 -0.03 1.91 2.76 -1.86 0.14 115.15 117.81 2vvr h HIS 17 Ca -0.03 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 57.97 2vvr h HIS 17 Cb 0.68 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 2vvr h HIS 17 CO -0.19 0.29 -0.78 0.93 -1.30 0.00 0.00 177.93 176.88 2vvr h GLU 18 N 0.55 0.27 -0.19 5.26 4.39 -1.89 -0.67 114.58 122.30 2vvr h GLU 18 Ca 0.19 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 2vvr h GLU 18 Cb 0.04 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2vvr h GLU 18 CO -0.10 0.92 -0.18 0.82 -1.16 0.00 0.00 179.01 179.32 2vvr h ILE 19 N 0.17 1.33 -0.48 3.13 1.08 -0.67 -0.75 117.51 121.32 2vvr h ILE 19 Ca -0.03 -1.33 -0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2vvr h ILE 19 Cb 1.36 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.86 2vvr h ILE 19 CO 0.12 0.40 0.29 0.58 -0.69 0.00 0.00 178.15 178.85 2vvr h VAL 20 N 0.12 1.15 -0.81 1.67 2.07 -0.77 -1.09 116.25 118.60 2vvr h VAL 20 Ca 0.03 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.25 2vvr h VAL 20 Cb 0.71 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2vvr h VAL 20 CO 0.04 0.16 0.50 0.00 0.02 0.00 0.00 177.57 178.29 2vvr h ALA 21 N 1.13 1.08 -0.55 1.67 0.00 -1.06 -1.78 119.26 119.75 2vvr h ALA 21 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2vvr h ALA 21 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2vvr h ALA 21 CO -0.03 0.27 0.25 1.25 0.00 0.00 0.00 179.25 180.99 2vvr h HIS 22 N 0.94 0.81 -0.68 0.00 6.17 -0.78 -0.94 115.15 120.67 2vvr h HIS 22 Ca 0.34 -0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.40 2vvr h HIS 22 Cb 0.10 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 29.74 2vvr h HIS 22 CO -0.04 0.64 0.43 -0.07 0.71 0.00 0.00 177.93 179.61 2vvr h LEU 23 N 0.75 0.71 -0.58 0.26 3.38 -0.82 -1.84 115.31 117.17 2vvr h LEU 23 Ca 0.19 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2vvr h LEU 23 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2vvr h LEU 23 CO -0.02 0.50 0.15 0.58 0.09 0.00 0.00 178.44 179.73 2vvr h VAL 24 N 0.85 1.25 -0.70 1.22 2.07 -1.00 -0.69 116.25 119.25 2vvr h VAL 24 Ca 0.27 -0.89 0.12 0.00 0.82 0.00 0.00 66.70 67.02 2vvr h VAL 24 Cb 0.00 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2vvr h VAL 24 CO -0.10 0.33 0.46 -0.33 0.02 0.00 0.00 177.57 177.95 2vvr h GLU 25 N 0.83 0.46 -0.30 1.57 5.08 -0.84 -0.61 114.58 120.77 2vvr h GLU 25 Ca 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2vvr h GLU 25 Cb 0.34 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2vvr h GLU 25 CO 0.00 0.30 0.00 0.54 -1.00 0.00 0.00 179.01 178.85 2vvr n ARG 26 N -4.48 1.66 -1.32 2.33 5.12 -0.72 -4.91 116.66 114.34 2vvr n ARG 26 Ca 0.12 -0.98 -0.04 0.00 -1.93 0.00 0.00 57.85 55.03 2vvr n ARG 26 Cb 0.42 -1.23 -0.01 0.00 -1.16 0.00 0.00 32.46 30.48 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 0.90 0.57 3.80 -0.13 0.00 -0.24 -5.03 105.19 105.06 2vvr n GLY 27 Ca 0.09 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.15 5.21 -0.29 1.61 1.01 -0.32 -4.93 120.40 120.53 2vvr s VAL 28 Ca 0.00 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 2vvr s VAL 28 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2vvr s VAL 28 CO 0.00 0.50 0.71 -0.70 0.00 0.00 0.00 175.10 175.61 2vvr s GLU 29 N -0.43 3.98 -0.26 2.72 2.12 0.24 -4.02 118.70 123.04 2vvr s GLU 29 Ca 0.20 0.50 -0.14 0.00 0.36 0.00 0.00 54.97 55.89 2vvr s GLU 29 Cb -0.15 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 2vvr s GLU 29 CO 0.08 -0.58 0.33 0.08 -0.54 0.00 0.00 175.26 174.63 2vvr s VAL 30 N 2.75 5.22 -0.50 3.70 1.01 -1.26 -1.44 120.40 129.88 2vvr s VAL 30 Ca 0.29 0.49 -0.20 0.00 0.00 0.00 0.00 61.98 62.56 2vvr s VAL 30 Cb -0.15 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2vvr s VAL 30 CO 0.11 0.21 0.65 -0.63 0.00 0.00 0.00 175.10 175.44 2vvr s ILE 31 N 1.79 4.83 -0.39 2.22 -1.09 0.83 -4.97 121.20 124.42 2vvr s ILE 31 Ca 0.14 -0.34 -0.27 0.00 -2.23 0.00 0.00 60.65 57.95 2vvr s ILE 31 Cb -0.15 -4.30 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 2vvr s ILE 31 CO 0.09 -0.79 0.97 -0.62 -1.23 0.00 0.00 174.94 173.36 2vvr s ASP 32 N 2.58 6.67 0.00 3.58 3.68 -1.26 -0.92 116.67 131.01 2vvr s ASP 32 Ca 0.17 0.55 0.22 0.00 2.13 0.00 0.00 52.55 55.62 2vvr s ASP 32 Cb -0.18 -2.48 0.59 0.00 -1.45 0.00 0.00 42.92 39.40 2vvr s ASP 32 CO 0.13 -0.94 1.47 0.29 0.13 0.00 0.00 175.17 176.26 2vvr n LYS 33 N 6.98 2.08 0.00 4.34 4.76 0.29 -4.95 118.16 131.67 2vvr n LYS 33 Ca 0.08 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.89 2vvr n LYS 33 Cb 0.48 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 1.30 -2.89 3.88 0.72 0.00 -1.25 -4.90 105.19 102.05 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 -1.08 0.00 0.00 0.00 173.32 172.24 2vvr s THR 35 N -0.92 1.93 0.00 2.61 -1.32 -0.04 -0.74 115.64 117.16 2vvr s THR 35 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2vvr s THR 35 Cb 0.00 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 2vvr s THR 35 CO 0.00 0.00 0.67 0.79 -2.21 0.00 0.00 174.62 173.87 2vvr n TRP 36 N -3.97 0.00 -3.70 9.09 8.01 -1.26 -4.85 117.44 120.76 2vvr n TRP 36 Ca 0.16 -0.20 -0.07 0.00 -1.31 0.00 0.00 57.50 56.08 2vvr n TRP 36 Cb 0.59 -0.02 0.02 0.00 -2.01 0.00 0.00 31.31 29.90 2vvr n TRP 36 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2vvr n SER 37 N -0.20 -1.93 -0.77 -0.99 3.41 -1.26 -5.04 113.62 106.84 2vvr n SER 37 Ca 0.00 -2.30 0.06 0.00 -0.26 0.00 0.00 58.87 56.38 2vvr n SER 37 Cb 0.15 3.20 0.18 0.00 -0.26 0.00 0.00 64.21 67.48 2vvr n SER 37 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vvr n SER 38 N -1.43 2.24 -4.74 4.04 3.41 -1.26 -4.59 113.62 111.29 2vvr n SER 38 Ca -0.07 -2.03 -0.41 0.00 -0.26 0.00 0.00 58.87 56.10 2vvr n SER 38 Cb 0.51 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.48 4.40 0.32 4.33 2.02 -1.26 -4.88 118.70 122.15 2vvr s GLU 39 Ca 0.27 2.06 -0.29 0.00 0.02 0.00 0.00 54.97 57.03 2vvr s GLU 39 Cb 0.15 -3.18 -0.12 0.00 0.10 0.00 0.00 34.13 31.07 2vvr s GLU 39 CO 0.18 -0.22 1.42 0.54 0.02 0.00 0.00 175.26 177.20 2vvr n ARG 40 N 2.37 2.36 -3.65 1.61 1.74 -1.26 -4.57 116.66 115.26 2vvr n ARG 40 Ca 0.05 0.83 -0.11 0.00 -0.77 0.00 0.00 57.85 57.86 2vvr n ARG 40 Cb 0.43 -2.51 -0.05 0.00 -1.02 0.00 0.00 32.46 29.31 2vvr n ARG 40 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2vvr s THR 41 N -0.68 0.07 -0.17 0.55 -1.32 -1.26 -5.00 115.64 107.83 2vvr s THR 41 Ca 0.59 -0.59 -0.18 0.00 -1.21 0.00 0.00 61.69 60.29 2vvr s THR 41 Cb -0.55 -1.14 -0.04 0.00 -1.51 0.00 0.00 72.50 69.27 2vvr s THR 41 CO 0.57 -0.33 0.51 -1.81 -2.21 0.00 0.00 174.62 171.36 2vvr s ASP 42 N -2.68 6.62 0.47 8.08 1.11 -1.26 -4.57 116.67 124.43 2vvr s ASP 42 Ca 0.02 0.74 0.18 0.00 0.18 0.00 0.00 52.55 53.67 2vvr s ASP 42 Cb 0.02 -2.29 1.14 0.00 1.07 0.00 0.00 42.92 42.85 2vvr s ASP 42 CO -0.10 -0.11 2.01 0.10 1.18 0.00 0.00 175.17 178.24 2vvr h TYR 43 N 7.17 0.00 -0.67 4.23 -0.00 -2.00 -3.19 116.97 122.52 2vvr h TYR 43 Ca -0.36 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.38 2vvr h TYR 43 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.86 2vvr h TYR 43 CO 0.67 0.17 0.44 -1.35 -0.00 0.00 0.00 178.16 178.10 2vvr h PRO 44 N 0.00 0.84 -0.54 0.10 0.11 -1.94 -2.03 132.00 128.53 2vvr h PRO 44 Ca -0.00 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.13 2vvr h PRO 44 Cb 0.34 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.20 2vvr h PRO 44 CO 0.02 0.56 0.23 1.25 -0.21 0.00 0.00 178.00 179.85 2vvr h HIS 45 N 0.87 0.40 -0.02 0.65 -0.00 -1.99 -0.51 115.15 114.55 2vvr h HIS 45 Ca 0.25 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.45 2vvr h HIS 45 Cb -0.04 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2vvr h HIS 45 CO -0.00 0.15 -0.85 1.88 -0.00 0.00 0.00 177.93 179.11 2vvr h TYR 46 N 0.43 0.44 -0.45 5.26 -1.99 -1.64 -1.24 116.97 117.77 2vvr h TYR 46 Ca 0.26 -0.23 0.08 0.00 2.00 0.00 0.00 58.73 60.84 2vvr h TYR 46 Cb 0.25 -0.05 -0.07 0.00 2.00 0.00 0.00 36.73 38.86 2vvr h TYR 46 CO -0.14 1.02 0.06 0.00 -0.00 0.00 0.00 178.16 179.10 2vvr h ALA 47 N 0.91 0.47 -0.11 3.88 0.00 -1.20 -2.38 119.26 120.83 2vvr h ALA 47 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2vvr h ALA 47 Cb 1.46 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2vvr h ALA 47 CO 0.14 -0.34 0.05 0.77 0.00 0.00 0.00 179.25 179.87 2vvr h SER 48 N 0.19 0.15 -0.78 0.00 0.02 -0.71 -0.18 113.55 112.24 2vvr h SER 48 Ca 0.22 -0.14 0.14 0.00 -0.84 0.00 0.00 61.79 61.17 2vvr h SER 48 Cb 0.30 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.70 2vvr h SER 48 CO -0.32 0.25 0.34 1.56 -1.14 0.00 0.00 176.83 177.53 2vvr h GLN 49 N 0.05 0.48 -0.03 3.45 1.08 -1.19 0.19 115.11 119.13 2vvr h GLN 49 Ca 0.04 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 2vvr h GLN 49 Cb 0.14 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2vvr h GLN 49 CO -0.00 0.32 -0.44 0.28 -0.95 0.00 0.00 178.83 178.03 2vvr h VAL 50 N 0.50 1.44 -0.32 -0.54 2.07 -1.28 -2.82 116.25 115.30 2vvr h VAL 50 Ca 0.43 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 2vvr h VAL 50 Cb 0.63 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2vvr h VAL 50 CO -0.39 0.55 0.16 0.00 0.02 0.00 0.00 177.57 177.91 2vvr h ALA 51 N 0.36 0.41 -0.90 1.67 0.00 -0.72 -0.18 119.26 119.90 2vvr h ALA 51 Ca -0.05 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2vvr h ALA 51 Cb 1.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2vvr h ALA 51 CO 0.09 -0.04 0.59 -0.07 0.00 0.00 0.00 179.25 179.82 2vvr h LEU 52 N 0.39 1.01 -0.51 0.00 3.38 -0.72 0.16 115.31 119.02 2vvr h LEU 52 Ca 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2vvr h LEU 52 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2vvr h LEU 52 CO -0.02 0.72 0.28 0.00 0.09 0.00 0.00 178.44 179.51 2vvr h ALA 53 N 1.34 0.66 -0.02 1.53 0.00 -1.18 -1.70 119.26 119.89 2vvr h ALA 53 Ca 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2vvr h ALA 53 Cb -0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2vvr h ALA 53 CO -0.09 0.19 -0.02 0.28 0.00 0.00 0.00 179.25 179.61 2vvr h VAL 54 N 0.68 1.39 -0.24 0.00 2.07 -0.58 -1.93 116.25 117.66 2vvr h VAL 54 Ca 0.18 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2vvr h VAL 54 Cb 0.06 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2vvr h VAL 54 CO -0.03 0.32 0.15 0.00 0.02 0.00 0.00 177.57 178.03 2vvr h ALA 55 N 0.51 1.82 -0.27 1.67 0.00 -0.68 -2.11 119.26 120.20 2vvr h ALA 55 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2vvr h ALA 55 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2vvr h ALA 55 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2vvr n GLY 56 N -1.48 0.52 2.40 0.00 0.00 -0.64 -4.93 105.19 101.06 2vvr n GLY 56 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 1.11 1.42 0.18 -0.02 0.00 -0.79 -4.88 105.19 102.21 2vvr n GLY 57 Ca 0.14 -0.38 0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.55 1.61 5.08 -1.58 -3.46 114.58 111.68 2vvr h GLU 58 Ca -0.28 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.86 2vvr h GLU 58 Cb 0.90 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.00 2vvr h GLU 58 CO 0.41 0.40 -0.64 0.14 -1.00 0.00 0.00 179.01 178.32 2vvr s VAL 59 N -3.45 0.20 0.15 3.13 -7.23 -1.18 -5.03 120.40 106.99 2vvr s VAL 59 Ca 0.01 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2vvr s VAL 59 Cb 0.10 -2.20 -0.17 0.00 0.56 0.00 0.00 36.38 34.67 2vvr s VAL 59 CO 0.70 -0.33 1.34 0.44 -0.31 0.00 0.00 175.10 176.94 2vvr h ASP 60 N 2.75 0.08 -2.34 4.85 3.32 -1.12 -3.43 116.42 120.53 2vvr h ASP 60 Ca -0.36 -0.08 0.17 0.00 0.02 0.00 0.00 57.03 56.79 2vvr h ASP 60 Cb 1.21 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 2vvr h ASP 60 CO 0.58 0.97 0.59 0.61 -1.72 0.00 0.00 179.24 180.27 2vvr n GLY 61 N 1.09 0.59 3.12 2.75 0.00 -1.13 -4.94 105.19 106.67 2vvr n GLY 61 Ca -0.02 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 2vvr n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvr s GLY 62 N -3.39 0.71 -0.07 -0.02 0.00 -0.11 -1.19 107.32 103.24 2vvr s GLY 62 Ca 0.22 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2vvr s GLY 62 CO 0.04 -0.92 -0.10 -0.42 0.00 0.00 0.00 173.10 171.70 2vvr s ILE 63 N -1.28 1.01 -0.02 0.90 1.01 0.01 -1.08 121.20 121.75 2vvr s ILE 63 Ca -0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.28 2vvr s ILE 63 Cb -0.10 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 2vvr s ILE 63 CO 0.01 0.34 -0.16 -0.76 0.00 0.00 0.00 174.94 174.37 2vvr s LEU 64 N 0.98 2.00 -0.07 2.97 1.43 -0.12 -0.97 118.68 124.89 2vvr s LEU 64 Ca -0.09 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2vvr s LEU 64 Cb -0.15 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2vvr s LEU 64 CO 0.00 0.18 -0.07 -0.63 0.23 0.00 0.00 176.35 176.06 2vvr s ILE 65 N -0.27 0.84 0.00 -0.59 1.01 -0.70 -2.46 121.20 119.03 2vvr s ILE 65 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2vvr s ILE 65 Cb -0.07 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2vvr s ILE 65 CO -0.00 0.31 0.00 0.00 0.00 0.00 0.00 174.94 175.25 2vvr h GLY 67 N 0.00 0.46 0.00 0.00 0.00 -1.87 -0.96 103.07 100.71 2vvr h GLY 67 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2vvr h GLY 67 CO 0.00 0.01 -0.99 -1.30 0.00 0.00 0.00 176.54 174.26 2vvr n THR 68 N -5.04 0.00 -0.08 4.70 -2.24 -1.26 -1.04 114.28 109.32 2vvr n THR 68 Ca 0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2vvr n THR 68 Cb 0.14 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 2.07 2.11 0.11 3.38 0.00 -1.24 -2.78 105.19 108.84 2vvr n GLY 69 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.72 -0.62 1.61 2.07 -1.94 -2.29 116.25 115.79 2vvr h VAL 70 Ca 0.00 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.30 2vvr h VAL 70 Cb 0.00 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2vvr h VAL 70 CO 0.00 0.21 0.35 1.23 0.02 0.00 0.00 177.57 179.38 2vvr h GLY 71 N -0.95 0.90 1.26 2.17 0.00 -1.99 0.18 103.07 104.64 2vvr h GLY 71 Ca -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2vvr h GLY 71 CO 0.03 0.17 0.13 1.19 0.00 0.00 0.00 176.54 178.06 2vvr h ILE 72 N 0.67 1.24 -0.02 2.60 2.10 -1.91 -1.56 117.51 120.63 2vvr h ILE 72 Ca 0.27 -0.89 -0.18 0.00 1.08 0.00 0.00 64.86 65.14 2vvr h ILE 72 Cb 0.13 0.65 -0.01 0.00 -1.09 0.00 0.00 36.82 36.50 2vvr h ILE 72 CO -0.16 0.33 -0.79 0.77 -1.08 0.00 0.00 178.15 177.23 2vvr h SER 73 N 0.88 0.27 0.02 2.19 4.64 -0.79 -1.45 113.55 119.31 2vvr h SER 73 Ca 0.19 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2vvr h SER 73 Cb 0.34 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2vvr h SER 73 CO 0.00 0.96 -0.01 0.40 -0.87 0.00 0.00 176.83 177.31 2vvr h ILE 74 N 0.14 1.06 -0.26 0.95 2.04 -0.48 -1.16 117.51 119.79 2vvr h ILE 74 Ca -0.03 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.65 2vvr h ILE 74 Cb 1.38 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 38.61 2vvr h ILE 74 CO 0.12 0.06 -0.29 0.00 0.00 0.00 0.00 178.15 178.04 2vvr h ALA 75 N 0.85 -0.21 -0.98 1.87 0.00 -1.28 -2.49 119.26 117.02 2vvr h ALA 75 Ca -0.00 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2vvr h ALA 75 Cb 0.12 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2vvr h ALA 75 CO 0.00 -0.72 0.63 0.00 0.00 0.00 0.00 179.25 179.16 2vvr h ALA 76 N 0.69 1.37 0.00 0.00 0.00 -1.19 -1.91 119.26 118.22 2vvr h ALA 76 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vvr h ALA 76 Cb 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2vvr h ALA 76 CO -0.43 0.40 0.00 -0.91 0.00 0.00 0.00 179.25 178.31 2vvr h ASN 77 N 1.13 0.00 0.75 0.00 -0.26 -0.79 -2.45 115.58 113.97 2vvr h ASN 77 Ca 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.17 2vvr h ASN 77 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2vvr h ASN 77 CO -0.18 0.00 0.00 0.11 -1.06 0.00 0.00 177.43 176.30 2vvr h LYS 78 N 0.00 0.00 -6.59 0.81 1.79 -0.93 -3.44 116.57 108.21 2vvr h LYS 78 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2vvr h LYS 78 Cb 0.43 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 2vvr h LYS 78 CO 0.00 0.00 0.28 -0.06 -1.08 0.00 0.00 179.45 178.59 2vvr s PHE 79 N -3.40 3.90 0.25 -1.35 0.40 -0.92 -5.04 117.98 111.81 2vvr s PHE 79 Ca 0.03 1.76 -0.31 0.00 -0.60 0.00 0.00 56.93 57.81 2vvr s PHE 79 Cb 0.09 -2.91 -0.11 0.00 0.51 0.00 0.00 43.02 40.59 2vvr s PHE 79 CO 0.41 0.40 1.63 0.00 0.70 0.00 0.00 175.22 178.37 2vvr s ALA 80 N -0.78 3.81 0.00 5.36 0.00 -1.26 -2.79 121.76 126.10 2vvr s ALA 80 Ca 0.40 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2vvr s ALA 80 Cb -0.24 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2vvr s ALA 80 CO 0.29 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2vvr n GLY 81 N 2.92 1.51 3.73 0.00 0.00 -1.26 -4.81 105.19 107.29 2vvr n GLY 81 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.74 5.38 -0.29 -0.61 -1.09 -1.12 -4.84 121.20 115.89 2vvr s ILE 82 Ca 0.00 0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.74 2vvr s ILE 82 Cb 0.00 -3.51 0.08 0.00 -1.58 0.00 0.00 42.46 37.45 2vvr s ILE 82 CO 0.00 0.43 -0.01 -0.13 -1.23 0.00 0.00 174.94 174.00 2vvr s ARG 83 N 0.34 1.64 -0.15 2.79 0.52 -1.26 -4.78 118.95 118.06 2vvr s ARG 83 Ca 0.11 -1.46 -0.02 0.00 -0.52 0.00 0.00 55.73 53.83 2vvr s ARG 83 Cb -0.12 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 2vvr s ARG 83 CO -0.00 -0.77 -0.07 0.00 0.02 0.00 0.00 175.30 174.48 2vvr s ALA 84 N 1.13 2.88 -0.18 2.13 0.00 -1.26 -0.54 121.76 125.93 2vvr s ALA 84 Ca 0.02 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 2vvr s ALA 84 Cb -0.19 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2vvr s ALA 84 CO -0.09 0.24 0.10 0.54 0.00 0.00 0.00 175.76 176.55 2vvr s VAL 85 N 0.33 5.11 -0.12 0.00 0.11 0.27 -4.98 120.40 121.12 2vvr s VAL 85 Ca -0.06 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2vvr s VAL 85 Cb -0.15 -3.30 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 2vvr s VAL 85 CO 0.04 0.47 -0.03 0.54 -3.33 0.00 0.00 175.10 172.79 2vvr s VAL 86 N 0.22 4.01 0.30 2.04 0.11 -1.26 -0.36 120.40 125.46 2vvr s VAL 86 Ca 0.06 -0.34 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 2vvr s VAL 86 Cb -0.12 -2.72 0.03 0.00 -1.53 0.00 0.00 36.38 32.04 2vvr s VAL 86 CO -0.01 0.54 0.73 0.00 -3.33 0.00 0.00 175.10 173.03 2vvr n SER 88 N -0.63 1.31 -3.63 0.00 3.41 -1.26 -4.55 113.62 108.27 2vvr n SER 88 Ca -0.05 -2.49 -0.11 0.00 -0.26 0.00 0.00 58.87 55.96 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 -1.50 1.04 0.40 4.33 4.04 -1.26 -4.98 118.70 120.77 2vvr s GLU 89 Ca 0.16 -0.57 0.22 0.00 0.04 0.00 0.00 54.97 54.81 2vvr s GLU 89 Cb 0.14 0.46 0.63 0.00 0.02 0.00 0.00 34.13 35.38 2vvr s GLU 89 CO 0.01 -0.39 1.70 -1.35 -1.84 0.00 0.00 175.26 173.39 2vvr h PRO 90 N 2.55 0.00 -0.10 -4.83 0.11 -1.91 -3.32 132.00 124.50 2vvr h PRO 90 Ca -0.33 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 2vvr h PRO 90 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2vvr h PRO 90 CO 0.45 0.27 0.05 -0.92 -0.21 0.00 0.00 178.00 177.65 2vvr h TYR 91 N 0.00 0.14 -0.52 0.65 3.20 -1.97 -0.37 116.97 118.10 2vvr h TYR 91 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2vvr h TYR 91 Cb 0.95 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.13 2vvr h TYR 91 CO 0.00 0.18 0.26 0.77 -1.64 0.00 0.00 178.16 177.72 2vvr h SER 92 N 0.06 0.36 0.00 -2.11 0.02 -2.00 0.37 113.55 110.26 2vvr h SER 92 Ca 0.04 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2vvr h SER 92 Cb 0.08 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2vvr h SER 92 CO -0.01 0.25 -0.00 0.00 -1.14 0.00 0.00 176.83 175.93 2vvr h ALA 93 N 1.29 -0.00 -0.06 3.77 0.00 -1.64 -1.35 119.26 121.26 2vvr h ALA 93 Ca 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2vvr h ALA 93 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2vvr h ALA 93 CO -0.17 -0.47 0.01 0.37 0.00 0.00 0.00 179.25 178.99 2vvr h GLN 94 N -0.07 0.03 -0.12 0.00 4.15 -0.82 -2.74 115.11 115.54 2vvr h GLN 94 Ca -0.00 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 2vvr h GLN 94 Cb 0.06 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2vvr h GLN 94 CO 0.00 0.02 -0.46 1.25 -1.93 0.00 0.00 178.83 177.71 2vvr h LEU 95 N 0.04 0.32 -1.84 -2.39 5.85 -0.92 -2.15 115.31 114.21 2vvr h LEU 95 Ca 0.03 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2vvr h LEU 95 Cb 0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2vvr h LEU 95 CO -0.04 0.74 0.12 0.77 -0.34 0.00 0.00 178.44 179.69 2vvr h SER 96 N 0.24 0.19 0.07 1.25 4.64 -1.11 0.32 113.55 119.15 2vvr h SER 96 Ca 0.02 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2vvr h SER 96 Cb 0.91 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2vvr h SER 96 CO 0.07 0.14 -0.03 0.03 -0.87 0.00 0.00 176.83 176.17 2vvr h ARG 97 N 0.22 -0.09 -0.85 4.77 2.47 -1.17 -1.18 114.38 118.56 2vvr h ARG 97 Ca 0.07 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2vvr h ARG 97 Cb 0.00 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 2vvr h ARG 97 CO -0.01 0.47 0.56 1.96 0.56 0.00 0.00 179.97 183.50 2vvr h GLN 98 N -0.73 1.13 0.00 0.04 4.20 -0.91 -2.44 115.11 116.39 2vvr h GLN 98 Ca -0.01 -0.07 -0.26 0.00 0.06 0.00 0.00 58.65 58.37 2vvr h GLN 98 Cb 0.59 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2vvr h GLN 98 CO 0.02 0.75 -1.99 0.09 -0.67 0.00 0.00 178.83 177.02 2vvr n ASN 99 N -4.48 2.02 -0.47 1.46 4.13 0.11 -1.30 115.26 116.72 2vvr n ASN 99 Ca 0.09 -0.04 0.05 0.00 1.68 0.00 0.00 54.58 56.35 2vvr n ASN 99 Cb 0.02 0.33 0.09 0.00 -1.54 0.00 0.00 39.78 38.68 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 -2.75 2.34 -4.13 6.41 4.13 -0.57 -4.79 115.26 115.89 2vvr n ASN 100 Ca -0.27 -1.72 -0.31 0.00 1.68 0.00 0.00 54.58 53.96 2vvr n ASN 100 Cb 0.90 -0.11 -0.04 0.00 -1.54 0.00 0.00 39.78 39.00 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 0.45 -1.33 -4.77 6.41 2.03 -0.55 -4.86 116.55 113.93 2vvr n ASP 101 Ca 0.08 -1.06 -0.40 0.00 0.52 0.00 0.00 54.79 53.93 2vvr n ASP 101 Cb 0.33 -2.67 -0.01 0.00 -0.72 0.00 0.00 41.12 38.05 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 -3.74 2.53 -0.84 5.18 -4.23 -0.82 -4.85 115.64 108.87 2vvr s THR 102 Ca 0.32 0.52 0.08 0.00 -1.18 0.00 0.00 61.69 61.43 2vvr s THR 102 Cb -0.17 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.36 2vvr s THR 102 CO 0.93 0.11 0.62 -0.46 -0.54 0.00 0.00 174.62 175.28 2vvr n ASN 103 N 0.52 1.27 -4.04 3.99 0.23 0.30 -4.83 115.26 112.71 2vvr n ASN 103 Ca 0.01 -1.13 -0.21 0.00 -0.53 0.00 0.00 54.58 52.71 2vvr n ASN 103 Cb 0.42 0.33 -0.15 0.00 -2.08 0.00 0.00 39.78 38.29 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 -1.05 0.92 -0.10 3.53 1.01 -0.95 -0.93 120.40 122.83 2vvr s VAL 104 Ca 0.08 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2vvr s VAL 104 Cb 0.07 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 2vvr s VAL 104 CO 0.18 0.28 -0.22 -0.22 0.00 0.00 0.00 175.10 175.11 2vvr s LEU 105 N 0.09 2.20 0.09 3.92 2.96 -0.24 -0.57 118.68 127.14 2vvr s LEU 105 Ca -0.02 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 2vvr s LEU 105 Cb -0.08 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2vvr s LEU 105 CO 0.01 0.18 -0.17 0.00 -1.32 0.00 0.00 176.35 175.05 2vvr s ALA 106 N 0.25 1.47 0.31 5.97 0.00 0.52 -0.95 121.76 129.33 2vvr s ALA 106 Ca -0.15 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 2vvr s ALA 106 Cb -0.17 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2vvr s ALA 106 CO 0.08 0.22 0.65 -0.59 0.00 0.00 0.00 175.76 176.12 2vvr s PHE 107 N -1.42 0.16 -0.17 0.00 -0.71 -1.03 -2.45 117.98 112.36 2vvr s PHE 107 Ca 0.03 -0.63 -0.01 0.00 -1.04 0.00 0.00 56.93 55.29 2vvr s PHE 107 Cb -0.09 0.53 -0.00 0.00 -1.21 0.00 0.00 43.02 42.25 2vvr s PHE 107 CO 0.03 -1.25 -0.13 0.20 -1.34 0.00 0.00 175.22 172.73 2vvr s GLY 108 N -3.02 1.50 0.43 1.99 0.00 -1.12 -3.20 107.32 103.90 2vvr s GLY 108 Ca 0.17 -1.07 0.30 0.00 0.00 0.00 0.00 44.72 44.12 2vvr s GLY 108 CO 0.10 0.12 1.89 1.48 0.00 0.00 0.00 173.10 176.68 2vvr h SER 109 N 7.48 0.00 -0.03 1.64 4.64 -0.80 0.40 113.55 126.87 2vvr h SER 109 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2vvr h SER 109 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2vvr h SER 109 CO 0.58 0.00 -0.00 0.54 -0.87 0.00 0.00 176.83 177.08 2vvr n ARG 110 N -2.68 2.23 -0.05 4.77 5.12 -0.21 -4.61 116.66 121.24 2vvr n ARG 110 Ca 0.01 -1.79 -0.10 0.00 -1.93 0.00 0.00 57.85 54.03 2vvr n ARG 110 Cb 0.23 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 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 1.18 1.03 -4.16 1.55 0.31 -0.47 -5.03 118.33 112.73 2vvr n VAL 111 Ca 0.15 0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 64.17 2vvr n VAL 111 Cb 0.57 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.34 4.45 0.77 2.52 -7.23 0.01 -5.05 120.40 113.53 2vvr s VAL 112 Ca -0.17 -0.55 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 2vvr s VAL 112 Cb 0.05 -3.04 0.05 0.00 0.56 0.00 0.00 36.38 34.01 2vvr s VAL 112 CO 0.23 0.32 1.13 -0.83 -0.31 0.00 0.00 175.10 175.64 2vvr s GLY 113 N -1.78 1.61 0.17 2.32 0.00 -1.26 -4.59 107.32 103.79 2vvr s GLY 113 Ca 0.23 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 2vvr s GLY 113 CO 0.14 -0.03 1.79 -2.00 0.00 0.00 0.00 173.10 172.99 2vvr h LEU 114 N -0.91 0.36 -0.36 0.66 5.85 -1.98 -1.04 115.31 117.89 2vvr h LEU 114 Ca -0.46 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.09 2vvr h LEU 114 Cb 1.29 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2vvr h LEU 114 CO 0.64 0.26 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.90 2vvr h GLU 115 N 0.48 0.41 -0.52 1.25 4.39 -1.99 -0.67 114.58 117.93 2vvr h GLU 115 Ca 0.19 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 2vvr h GLU 115 Cb 0.07 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2vvr h GLU 115 CO -0.12 1.00 0.09 1.25 -1.16 0.00 0.00 179.01 180.08 2vvr h LEU 116 N 0.27 0.81 -0.63 1.33 5.85 -1.94 -1.84 115.31 119.16 2vvr h LEU 116 Ca -0.04 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.50 2vvr h LEU 116 Cb 1.35 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 2vvr h LEU 116 CO 0.13 0.86 0.31 0.00 -0.34 0.00 0.00 178.44 179.40 2vvr h ALA 117 N 0.98 0.84 -0.70 1.25 0.00 -0.92 -0.91 119.26 119.81 2vvr h ALA 117 Ca 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2vvr h ALA 117 Cb 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2vvr h ALA 117 CO 0.01 -0.07 0.37 0.87 0.00 0.00 0.00 179.25 180.42 2vvr h LYS 118 N 0.55 0.99 -0.93 0.00 1.57 -0.86 -0.45 116.57 117.44 2vvr h LYS 118 Ca 0.30 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2vvr h LYS 118 Cb 0.28 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2vvr h LYS 118 CO -0.24 0.76 0.56 1.98 -0.57 0.00 0.00 179.45 181.94 2vvr h MET 119 N 0.97 1.26 -0.25 3.15 4.05 -0.97 -0.03 114.93 123.10 2vvr h MET 119 Ca 0.24 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2vvr h MET 119 Cb 0.07 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 2vvr h MET 119 CO -0.04 0.88 0.03 0.82 0.23 0.00 0.00 176.91 178.83 2vvr h ILE 120 N 1.28 1.24 -0.52 1.77 2.04 -0.50 -1.43 117.51 121.38 2vvr h ILE 120 Ca 0.33 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.44 2vvr h ILE 120 Cb -0.06 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2vvr h ILE 120 CO -0.06 0.26 0.22 0.58 0.00 0.00 0.00 178.15 179.15 2vvr h VAL 121 N 0.23 0.87 -0.79 1.67 2.07 -0.94 -1.48 116.25 117.88 2vvr h VAL 121 Ca 0.08 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2vvr h VAL 121 Cb 0.36 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2vvr h VAL 121 CO 0.01 0.08 0.40 0.44 0.02 0.00 0.00 177.57 178.51 2vvr h ASP 122 N 0.42 1.02 -0.44 0.57 3.32 -0.71 -0.15 116.42 120.45 2vvr h ASP 122 Ca 0.25 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2vvr h ASP 122 Cb 0.23 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2vvr h ASP 122 CO -0.22 0.85 -0.04 0.00 -1.72 0.00 0.00 179.24 178.11 2vvr h ALA 123 N 1.21 0.60 -0.19 3.45 0.00 -1.05 0.90 119.26 124.18 2vvr h ALA 123 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2vvr h ALA 123 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2vvr h ALA 123 CO -0.04 0.44 0.00 2.35 0.00 0.00 0.00 179.25 182.00 2vvr h TRP 124 N 0.65 0.36 -0.08 0.00 7.01 -1.05 -3.03 115.95 119.82 2vvr h TRP 124 Ca 0.12 -0.06 -0.10 0.00 2.11 0.00 0.00 58.89 60.96 2vvr h TRP 124 Cb 0.56 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 2vvr h TRP 124 CO 0.04 0.53 -0.39 -0.07 -2.79 0.00 0.00 178.44 175.76 2vvr h LEU 125 N 0.09 0.16 -0.08 0.65 3.38 -0.88 -3.14 115.31 115.50 2vvr h LEU 125 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2vvr h LEU 125 Cb 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2vvr h LEU 125 CO 0.01 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.69 2vvr n GLY 126 N -0.29 -1.63 3.86 0.83 0.00 0.30 -4.74 105.19 103.52 2vvr n GLY 126 Ca -0.01 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.11 3.75 -0.01 4.61 0.00 -1.15 -5.07 121.76 120.78 2vvr s ALA 127 Ca 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2vvr s ALA 127 Cb 0.13 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2vvr s ALA 127 CO 0.56 0.54 0.06 -0.65 0.00 0.00 0.00 175.76 176.27 2vvr s GLN 128 N -1.33 3.00 0.11 0.00 -0.21 -1.26 -4.85 119.66 115.12 2vvr s GLN 128 Ca 0.25 -0.50 -0.31 0.00 0.02 0.00 0.00 55.36 54.82 2vvr s GLN 128 Cb -0.15 -2.81 -0.07 0.00 1.00 0.00 0.00 33.01 30.97 2vvr s GLN 128 CO 0.13 0.65 1.31 -0.47 -2.12 0.00 0.00 175.29 174.79 2vvr s TYR 129 N -1.14 3.32 -0.70 0.91 5.04 -1.25 -3.81 117.35 119.71 2vvr s TYR 129 Ca 0.21 1.12 0.24 0.00 -2.44 0.00 0.00 57.07 56.20 2vvr s TYR 129 Cb -0.12 -3.58 0.33 0.00 0.35 0.00 0.00 41.96 38.94 2vvr s TYR 129 CO 0.12 -1.91 1.29 0.39 -1.34 0.00 0.00 175.55 174.10 2vvr n GLU 130 N 3.70 0.24 0.00 4.97 1.02 -0.42 -4.98 120.64 125.16 2vvr n GLU 130 Ca 0.10 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2vvr n GLU 130 Cb 0.44 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.37 2.94 7.00 0.62 0.00 -1.26 -4.93 105.19 110.94 2vvr n GLY 131 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 2.34 0.32 -0.02 0.00 -1.26 -2.42 105.19 104.15 2vvr n GLY 132 Ca 0.00 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.03 1.61 0.11 -2.01 -2.64 114.38 111.42 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 -0.63 0.45 0.10 0.00 0.00 179.97 179.89 2vvr h HIS 134 N 0.00 0.14 -0.82 4.08 3.86 -1.79 -3.32 115.15 117.31 2vvr h HIS 134 Ca 0.00 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2vvr h HIS 134 Cb 0.03 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 2vvr h HIS 134 CO 0.00 0.71 0.54 0.37 0.86 0.00 0.00 177.93 180.41 2vvr h GLN 135 N 0.08 1.07 -0.80 2.45 5.75 -1.60 -1.30 115.11 120.76 2vvr h GLN 135 Ca -0.01 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2vvr h GLN 135 Cb 1.13 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.40 2vvr h GLN 135 CO 0.09 0.71 0.52 0.37 -2.65 0.00 0.00 178.83 177.87 2vvr h GLN 136 N 1.10 1.02 -0.22 1.69 4.15 -1.76 0.42 115.11 121.51 2vvr h GLN 136 Ca 0.30 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 2vvr h GLN 136 Cb -0.12 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.33 2vvr h GLN 136 CO -0.07 0.67 -0.03 0.00 -1.93 0.00 0.00 178.83 177.48 2vvr h ARG 137 N 1.05 0.41 -0.63 1.69 3.08 -1.47 -1.29 114.38 117.22 2vvr h ARG 137 Ca 0.30 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2vvr h ARG 137 Cb -0.08 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2vvr h ARG 137 CO -0.08 0.63 0.41 0.28 -1.07 0.00 0.00 179.97 180.15 2vvr h VAL 138 N 0.16 1.14 -0.91 2.04 2.07 -1.02 -1.77 116.25 117.95 2vvr h VAL 138 Ca 0.06 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.36 2vvr h VAL 138 Cb 0.47 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2vvr h VAL 138 CO 0.02 0.15 0.59 -0.33 0.02 0.00 0.00 177.57 178.02 2vvr h GLU 139 N 0.84 1.00 -0.49 1.57 5.08 -0.08 -1.57 114.58 120.92 2vvr h GLU 139 Ca 0.24 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2vvr h GLU 139 Cb -0.07 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 2vvr h GLU 139 CO -0.06 0.66 0.06 0.00 -1.00 0.00 0.00 179.01 178.66 2vvr h ALA 140 N 1.51 1.17 -0.08 3.43 0.00 -0.59 0.69 119.26 125.40 2vvr h ALA 140 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2vvr h ALA 140 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2vvr h ALA 140 CO -0.15 0.55 0.05 0.82 0.00 0.00 0.00 179.25 180.52 2vvr h ILE 141 N 0.75 1.02 -0.67 0.00 2.04 -0.48 -2.59 117.51 117.59 2vvr h ILE 141 Ca 0.16 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2vvr h ILE 141 Cb 0.37 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2vvr h ILE 141 CO 0.01 0.02 0.44 0.74 0.00 0.00 0.00 178.15 179.36 2vvr h THR 142 N 0.11 1.12 -0.65 -0.27 2.02 -1.09 -2.14 112.91 112.02 2vvr h THR 142 Ca 0.03 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2vvr h THR 142 Cb -0.01 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 2vvr h THR 142 CO -0.01 0.15 0.39 0.00 0.37 0.00 0.00 175.52 176.43 2vvr h ALA 143 N 1.60 1.46 -0.82 6.16 0.00 -0.50 0.28 119.26 127.44 2vvr h ALA 143 Ca 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2vvr h ALA 143 Cb 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2vvr h ALA 143 CO -0.07 0.47 0.38 0.82 0.00 0.00 0.00 179.25 180.85 2vvr h ILE 144 N 0.90 1.26 0.00 0.00 2.04 -1.02 0.23 117.51 120.91 2vvr h ILE 144 Ca 0.23 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2vvr h ILE 144 Cb -0.03 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2vvr h ILE 144 CO -0.04 0.31 0.00 -0.62 0.00 0.00 0.00 178.15 177.80 2vvr n GLU 145 N -4.30 0.08 -2.08 2.37 1.02 -0.82 -4.80 120.64 112.10 2vvr n GLU 145 Ca 0.08 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2vvr n GLU 145 Cb 0.15 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2vvr n GLU 145 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2vvr n GLN 146 N -1.94 0.00 -0.08 3.49 1.13 0.06 -5.08 117.38 114.97 2vvr n GLN 146 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2vvr n GLN 146 Cb 0.02 -2.46 0.00 0.00 0.11 0.00 0.00 30.24 27.91 2vvr n GLN 146 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16