#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 0.66 -4.85 0.03 4.76 -1.26 -4.87 118.16 112.63 2vvr n LYS 2 Ca 0.00 0.29 -0.25 0.00 -2.87 0.00 0.00 58.31 55.48 2vvr n LYS 2 Cb 0.00 -1.78 -0.15 0.00 -1.84 0.00 0.00 35.03 31.26 2vvr n LYS 2 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2vvr s LYS 3 N -2.59 1.43 -0.03 1.97 -2.85 -1.26 -0.95 119.74 115.45 2vvr s LYS 3 Ca -0.08 -0.63 0.03 0.00 -1.00 0.00 0.00 55.97 54.28 2vvr s LYS 3 Cb 0.08 -1.38 0.01 0.00 -2.06 0.00 0.00 37.83 34.47 2vvr s LYS 3 CO 0.81 0.38 -0.10 0.42 0.10 0.00 0.00 175.35 176.96 2vvr s ILE 4 N -0.41 0.89 -0.15 3.79 -1.09 -0.23 -0.65 121.20 123.35 2vvr s ILE 4 Ca 0.07 -0.40 -0.19 0.00 -2.23 0.00 0.00 60.65 57.89 2vvr s ILE 4 Cb -0.07 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.98 2vvr s ILE 4 CO -0.01 0.28 0.55 0.00 -1.23 0.00 0.00 174.94 174.53 2vvr s ALA 5 N 0.29 3.49 -0.09 9.38 0.00 -0.49 -0.01 121.76 134.33 2vvr s ALA 5 Ca -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 2vvr s ALA 5 Cb -0.10 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2vvr s ALA 5 CO 0.01 -0.24 -0.05 0.12 0.00 0.00 0.00 175.76 175.60 2vvr s PHE 6 N 1.16 2.99 0.01 0.00 2.19 0.18 -1.20 117.98 123.32 2vvr s PHE 6 Ca 0.27 -0.02 -0.07 0.00 0.33 0.00 0.00 56.93 57.45 2vvr s PHE 6 Cb -0.16 -1.77 -0.00 0.00 -1.31 0.00 0.00 43.02 39.78 2vvr s PHE 6 CO 0.11 0.28 0.14 0.20 1.83 0.00 0.00 175.22 177.78 2vvr s GLY 7 N -0.59 0.06 0.11 13.12 0.00 -0.58 -0.26 107.32 119.18 2vvr s GLY 7 Ca 0.09 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.36 2vvr s GLY 7 CO 0.02 -0.36 0.58 0.00 0.00 0.00 0.00 173.10 173.34 2vvr n ASP 9 N -0.07 0.00 0.23 0.00 3.85 -1.15 -0.72 116.55 118.70 2vvr n ASP 9 Ca -0.17 -0.99 0.07 0.00 -0.71 0.00 0.00 54.79 52.99 2vvr n ASP 9 Cb 0.63 0.00 0.56 0.00 -1.35 0.00 0.00 41.12 40.96 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 -0.40 0.00 0.14 2.11 2.07 -1.80 -0.72 115.15 116.55 2vvr h HIS 10 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 2vvr h HIS 10 Cb 0.00 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.99 2vvr h HIS 10 CO 0.00 0.15 -1.34 0.28 -3.07 0.00 0.00 177.93 173.95 2vvr h VAL 11 N 0.00 1.13 0.00 6.12 2.07 -1.92 -3.30 116.25 120.36 2vvr h VAL 11 Ca -0.00 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 2vvr h VAL 11 Cb 0.28 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2vvr h VAL 11 CO 0.02 0.73 -0.07 1.23 0.02 0.00 0.00 177.57 179.50 2vvr h GLY 12 N 0.06 0.00 0.05 2.17 0.00 -1.69 -3.03 103.07 100.64 2vvr h GLY 12 Ca -0.27 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.33 2vvr h GLY 12 CO 0.11 0.00 0.69 -2.75 0.00 0.00 0.00 176.54 174.59 2vvr h PHE 13 N 0.00 0.14 -0.01 5.60 3.04 -1.20 -1.77 116.94 122.73 2vvr h PHE 13 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2vvr h PHE 13 Cb 0.15 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 2vvr h PHE 13 CO 0.00 0.02 0.05 -0.84 -2.02 0.00 0.00 178.31 175.52 2vvr h ILE 14 N 0.09 0.12 -0.01 1.41 3.07 -1.72 -0.24 117.51 120.24 2vvr h ILE 14 Ca 0.48 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.89 2vvr h ILE 14 Cb 1.75 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 2vvr h ILE 14 CO -0.06 0.00 -0.68 0.18 -1.05 0.00 0.00 178.15 176.54 2vvr n LEU 15 N -3.24 1.57 0.17 0.16 4.77 -0.67 -4.78 117.00 114.98 2vvr n LEU 15 Ca -0.03 -0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 55.19 2vvr n LEU 15 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2vvr n LEU 15 CO 0.21 0.32 0.51 0.50 -1.33 0.00 0.00 177.39 177.61 2vvr h LYS 16 N 1.39 -0.61 -0.95 3.23 3.64 -1.07 -0.84 116.57 121.37 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 0.64 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 2vvr h LYS 16 CO 0.00 -0.40 0.63 0.45 -2.27 0.00 0.00 179.45 177.85 2vvr h HIS 17 N -0.63 1.17 -0.22 1.91 3.86 -1.87 0.60 115.15 119.98 2vvr h HIS 17 Ca -0.03 0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 2vvr h HIS 17 Cb 0.56 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2vvr h HIS 17 CO -0.23 0.69 -0.63 0.93 0.86 0.00 0.00 177.93 179.55 2vvr h GLU 18 N 1.22 0.79 -0.37 2.45 4.39 -1.87 -1.67 114.58 119.52 2vvr h GLU 18 Ca 0.37 -0.55 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 2vvr h GLU 18 Cb -0.02 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2vvr h GLU 18 CO -0.11 1.18 -0.15 0.82 -1.16 0.00 0.00 179.01 179.59 2vvr h ILE 19 N 0.59 1.28 -0.48 3.13 1.08 -0.60 -1.89 117.51 120.61 2vvr h ILE 19 Ca -0.01 -1.27 0.05 0.00 -0.39 0.00 0.00 64.86 63.24 2vvr h ILE 19 Cb 1.24 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 36.26 2vvr h ILE 19 CO 0.13 0.42 0.22 0.58 -0.69 0.00 0.00 178.15 178.82 2vvr h VAL 20 N 0.55 0.93 -0.72 1.67 2.07 -0.87 -0.96 116.25 118.92 2vvr h VAL 20 Ca 0.09 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2vvr h VAL 20 Cb 0.69 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2vvr h VAL 20 CO 0.05 0.08 0.47 0.00 0.02 0.00 0.00 177.57 178.19 2vvr h ALA 21 N 1.28 0.92 -0.90 1.67 0.00 -1.26 -1.03 119.26 119.93 2vvr h ALA 21 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2vvr h ALA 21 Cb 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2vvr h ALA 21 CO -0.17 0.31 0.50 1.25 0.00 0.00 0.00 179.25 181.13 2vvr h HIS 22 N 0.95 1.24 -0.40 0.00 6.17 -0.87 0.44 115.15 122.67 2vvr h HIS 22 Ca 0.27 -0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.26 2vvr h HIS 22 Cb -0.08 -0.40 -0.01 0.00 2.52 0.00 0.00 27.41 29.43 2vvr h HIS 22 CO -0.03 0.86 0.00 -0.07 0.71 0.00 0.00 177.93 179.40 2vvr h LEU 23 N 1.26 0.69 -0.23 0.26 3.38 -0.68 -0.35 115.31 119.65 2vvr h LEU 23 Ca 0.32 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2vvr h LEU 23 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2vvr h LEU 23 CO -0.05 0.83 0.14 0.58 0.09 0.00 0.00 178.44 180.03 2vvr h VAL 24 N 0.54 1.08 -0.85 1.22 2.07 -1.01 -1.05 116.25 118.25 2vvr h VAL 24 Ca 0.11 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.57 2vvr h VAL 24 Cb 0.47 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 2vvr h VAL 24 CO 0.02 0.08 0.55 -0.08 0.02 0.00 0.00 177.57 178.17 2vvr h GLU 25 N 0.29 0.65 0.00 1.57 4.81 -0.74 0.15 114.58 121.31 2vvr h GLU 25 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2vvr h GLU 25 Cb 0.01 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2vvr h GLU 25 CO -0.02 0.43 0.00 0.54 -0.73 0.00 0.00 179.01 179.23 2vvr n ARG 26 N -4.54 0.93 -0.69 1.92 5.12 -0.16 -4.89 116.66 114.36 2vvr n ARG 26 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 2vvr n ARG 26 Cb 0.44 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 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 0.82 0.58 3.88 -0.13 0.00 0.51 -5.06 105.19 105.80 2vvr n GLY 27 Ca 0.20 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2vvr n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vvr s VAL 28 N -2.00 5.42 -0.20 1.61 -7.23 -0.47 -4.96 120.40 112.58 2vvr s VAL 28 Ca 0.00 0.26 -0.25 0.00 -1.81 0.00 0.00 61.98 60.17 2vvr s VAL 28 Cb 0.00 -3.47 -0.01 0.00 0.56 0.00 0.00 36.38 33.46 2vvr s VAL 28 CO 0.00 0.57 0.84 -0.70 -0.31 0.00 0.00 175.10 175.50 2vvr s GLU 29 N -1.18 4.26 -0.21 4.82 2.12 -0.13 -3.93 118.70 124.45 2vvr s GLU 29 Ca 0.18 1.01 -0.12 0.00 0.36 0.00 0.00 54.97 56.41 2vvr s GLU 29 Cb -0.13 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.61 2vvr s GLU 29 CO 0.08 -0.41 0.21 0.08 -0.54 0.00 0.00 175.26 174.68 2vvr s VAL 30 N 2.43 5.34 -0.35 3.70 1.01 -1.26 -1.07 120.40 130.21 2vvr s VAL 30 Ca 0.38 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 2vvr s VAL 30 Cb -0.16 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2vvr s VAL 30 CO 0.10 0.37 0.19 -0.63 0.00 0.00 0.00 175.10 175.13 2vvr s ILE 31 N 0.79 4.72 -0.28 2.22 -1.09 0.98 -4.95 121.20 123.58 2vvr s ILE 31 Ca 0.11 -0.58 -0.22 0.00 -2.23 0.00 0.00 60.65 57.73 2vvr s ILE 31 Cb -0.13 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2vvr s ILE 31 CO 0.03 -0.08 0.73 -0.62 -1.23 0.00 0.00 174.94 173.77 2vvr s ASP 32 N 1.61 6.66 0.00 3.58 3.68 -1.26 -0.64 116.67 130.29 2vvr s ASP 32 Ca 0.04 0.73 0.24 0.00 2.13 0.00 0.00 52.55 55.69 2vvr s ASP 32 Cb -0.18 -2.39 0.29 0.00 -1.45 0.00 0.00 42.92 39.20 2vvr s ASP 32 CO 0.07 -0.51 1.32 0.29 0.13 0.00 0.00 175.17 176.48 2vvr n LYS 33 N 5.99 2.40 0.00 4.34 4.76 0.65 -4.94 118.16 131.35 2vvr n LYS 33 Ca 0.02 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 2vvr n LYS 33 Cb 0.48 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 1.41 -3.27 3.92 0.72 0.00 -1.25 -4.90 105.19 101.83 2vvr n GLY 34 Ca 0.16 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.84 1.98 0.00 2.61 -1.32 0.10 -0.45 115.64 117.72 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 -2.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 2vvr s THR 35 CO 0.00 0.00 0.71 0.79 -2.21 0.00 0.00 174.62 173.91 2vvr n TRP 36 N -3.88 0.00 -3.94 9.09 8.01 -1.26 -4.87 117.44 120.59 2vvr n TRP 36 Ca 0.16 -0.23 -0.09 0.00 -1.31 0.00 0.00 57.50 56.03 2vvr n TRP 36 Cb 0.59 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.84 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 -0.00 -0.99 1.04 -1.26 -5.02 113.70 107.04 2vvr s SER 37 Ca 0.00 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.48 2vvr s SER 37 Cb 0.00 0.69 0.09 0.00 0.10 0.00 0.00 66.02 66.91 2vvr s SER 37 CO 0.00 -1.33 1.02 -1.54 0.98 0.00 0.00 173.24 172.36 2vvr n SER 38 N -0.78 0.71 -4.74 7.02 3.41 -1.26 -4.56 113.62 113.43 2vvr n SER 38 Ca -0.03 -2.02 -0.41 0.00 -0.26 0.00 0.00 58.87 56.15 2vvr n SER 38 Cb 0.61 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 2vvr n SER 38 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2vvr s GLU 39 N -1.77 4.38 0.03 4.33 2.12 -1.26 -4.85 118.70 121.67 2vvr s GLU 39 Ca 0.07 2.06 -0.37 0.00 0.36 0.00 0.00 54.97 57.08 2vvr s GLU 39 Cb 0.04 -3.20 -0.16 0.00 0.26 0.00 0.00 34.13 31.07 2vvr s GLU 39 CO 0.04 -0.27 1.42 -2.13 -0.54 0.00 0.00 175.26 173.79 2vvr n ARG 40 N 2.73 1.20 -3.88 4.30 0.63 -1.26 -4.53 116.66 115.84 2vvr n ARG 40 Ca 0.06 0.43 -0.09 0.00 -0.92 0.00 0.00 57.85 57.34 2vvr n ARG 40 Cb 0.43 -2.09 -0.05 0.00 0.45 0.00 0.00 32.46 31.20 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 1.05 0.02 -0.22 5.15 -1.32 -1.26 -5.02 115.64 114.05 2vvr s THR 41 Ca 0.87 -1.14 -0.10 0.00 -1.21 0.00 0.00 61.69 60.10 2vvr s THR 41 Cb -0.96 -1.89 -0.05 0.00 -1.51 0.00 0.00 72.50 68.09 2vvr s THR 41 CO 0.50 -0.09 0.15 -1.81 -2.21 0.00 0.00 174.62 171.15 2vvr s ASP 42 N -2.95 6.18 0.32 8.08 1.01 -1.26 -4.62 116.67 123.43 2vvr s ASP 42 Ca 0.16 0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.64 2vvr s ASP 42 Cb -0.01 -2.10 0.54 0.00 1.01 0.00 0.00 42.92 42.36 2vvr s ASP 42 CO 0.03 0.12 1.84 0.10 0.21 0.00 0.00 175.17 177.47 2vvr h TYR 43 N 7.06 0.57 -0.62 4.23 -0.00 -2.00 -3.21 116.97 123.00 2vvr h TYR 43 Ca -0.40 -0.07 0.05 0.00 0.00 0.00 0.00 58.73 58.32 2vvr h TYR 43 Cb 1.16 -0.16 -0.04 0.00 0.00 0.00 0.00 36.73 37.69 2vvr h TYR 43 CO 0.62 0.59 0.41 -1.35 -0.00 0.00 0.00 178.16 178.43 2vvr h PRO 44 N 0.51 0.62 -0.77 0.10 0.11 -1.94 -2.13 132.00 128.51 2vvr h PRO 44 Ca 0.10 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.24 2vvr h PRO 44 Cb 0.40 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.31 2vvr h PRO 44 CO 0.02 0.41 0.45 1.25 -0.21 0.00 0.00 178.00 179.91 2vvr h HIS 45 N 0.64 0.82 0.05 0.65 -0.00 -2.00 -1.16 115.15 114.15 2vvr h HIS 45 Ca 0.26 0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.41 2vvr h HIS 45 Cb 0.22 -0.26 0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2vvr h HIS 45 CO -0.00 0.39 -1.06 1.88 -0.00 0.00 0.00 177.93 179.14 2vvr h TYR 46 N 0.80 0.65 -0.46 5.26 -1.99 -1.57 -2.29 116.97 117.38 2vvr h TYR 46 Ca 0.35 -0.39 0.09 0.00 2.00 0.00 0.00 58.73 60.78 2vvr h TYR 46 Cb 0.22 -0.06 -0.09 0.00 2.00 0.00 0.00 36.73 38.80 2vvr h TYR 46 CO -0.06 1.24 -0.16 0.00 -0.00 0.00 0.00 178.16 179.18 2vvr h ALA 47 N 0.63 0.23 -0.19 3.88 0.00 -1.32 -2.13 119.26 120.36 2vvr h ALA 47 Ca -0.11 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2vvr h ALA 47 Cb 1.72 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 2vvr h ALA 47 CO 0.18 -0.49 0.03 0.77 0.00 0.00 0.00 179.25 179.74 2vvr h SER 48 N -0.05 -0.00 -0.24 0.00 0.02 -1.01 0.13 113.55 112.40 2vvr h SER 48 Ca 0.22 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 2vvr h SER 48 Cb 0.39 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 2vvr h SER 48 CO -0.50 0.03 0.01 1.56 -1.14 0.00 0.00 176.83 176.79 2vvr h GLN 49 N 0.11 0.09 -0.05 3.45 1.08 -1.19 0.21 115.11 118.81 2vvr h GLN 49 Ca 0.09 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2vvr h GLN 49 Cb 0.08 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2vvr h GLN 49 CO -0.12 0.06 0.01 0.28 -0.95 0.00 0.00 178.83 178.11 2vvr h VAL 50 N 0.09 1.22 -0.71 -0.54 2.07 -1.34 -2.47 116.25 114.57 2vvr h VAL 50 Ca 0.11 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.98 2vvr h VAL 50 Cb 0.13 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2vvr h VAL 50 CO -0.18 0.18 0.46 0.00 0.02 0.00 0.00 177.57 178.06 2vvr h ALA 51 N 0.75 0.91 -0.94 1.67 0.00 -0.44 -1.25 119.26 119.96 2vvr h ALA 51 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2vvr h ALA 51 Cb 0.29 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2vvr h ALA 51 CO 0.00 0.28 0.55 -0.07 0.00 0.00 0.00 179.25 180.02 2vvr h LEU 52 N 0.93 1.14 -0.61 0.00 3.38 -0.62 0.91 115.31 120.44 2vvr h LEU 52 Ca 0.27 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 2vvr h LEU 52 Cb -0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2vvr h LEU 52 CO -0.08 0.89 -0.17 0.00 0.09 0.00 0.00 178.44 179.17 2vvr h ALA 53 N 1.31 0.80 -0.05 1.53 0.00 -0.90 0.88 119.26 122.83 2vvr h ALA 53 Ca 0.34 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2vvr h ALA 53 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2vvr h ALA 53 CO -0.06 0.66 -0.18 0.28 0.00 0.00 0.00 179.25 179.95 2vvr h VAL 54 N 0.82 1.46 -0.71 0.00 2.07 -1.07 -2.22 116.25 116.59 2vvr h VAL 54 Ca 0.12 -1.62 -0.07 0.00 0.82 0.00 0.00 66.70 65.95 2vvr h VAL 54 Cb 0.71 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 2vvr h VAL 54 CO 0.05 0.45 0.17 0.00 0.02 0.00 0.00 177.57 178.27 2vvr h ALA 55 N 0.41 0.96 0.00 1.67 0.00 -0.81 -2.44 119.26 119.05 2vvr h ALA 55 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2vvr h ALA 55 Cb 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vvr h ALA 55 CO 0.04 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.37 2vvr n GLY 56 N -0.68 -0.81 2.81 0.00 0.00 0.30 -4.91 105.19 101.90 2vvr n GLY 56 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.45 0.72 0.00 -0.02 0.00 -0.92 -4.86 105.19 100.56 2vvr n GLY 57 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2vvr n GLY 57 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2vvr n GLU 58 N -2.15 0.01 -3.78 1.61 0.28 -0.85 -4.80 120.64 110.96 2vvr n GLU 58 Ca 0.00 0.22 -0.10 0.00 -0.16 0.00 0.00 57.16 57.12 2vvr n GLU 58 Cb 0.02 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.32 2vvr n GLU 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2vvr s VAL 59 N -2.99 0.10 0.06 3.84 0.11 -1.15 -5.03 120.40 115.35 2vvr s VAL 59 Ca 0.08 -0.84 0.08 0.00 -2.93 0.00 0.00 61.98 58.36 2vvr s VAL 59 Cb 0.10 -1.10 -0.22 0.00 -1.53 0.00 0.00 36.38 33.63 2vvr s VAL 59 CO 0.29 -0.47 1.05 0.44 -3.33 0.00 0.00 175.10 173.09 2vvr h ASP 60 N 2.94 0.04 -2.75 3.54 3.32 -1.19 -3.42 116.42 118.90 2vvr h ASP 60 Ca -0.33 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 56.71 2vvr h ASP 60 Cb 1.21 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2vvr h ASP 60 CO 0.50 1.04 0.38 0.61 -1.72 0.00 0.00 179.24 180.04 2vvr n GLY 61 N 1.44 0.88 3.01 2.75 0.00 -1.14 -4.92 105.19 107.21 2vvr n GLY 61 Ca -0.07 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.13 0.37 -0.07 -0.02 0.00 -0.15 -1.39 107.32 102.92 2vvr s GLY 62 Ca 0.18 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.32 2vvr s GLY 62 CO 0.09 -0.64 -0.09 -0.42 0.00 0.00 0.00 173.10 172.04 2vvr s ILE 63 N -1.14 0.97 -0.01 0.90 1.01 -0.34 -1.09 121.20 121.50 2vvr s ILE 63 Ca -0.09 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.25 2vvr s ILE 63 Cb -0.08 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 2vvr s ILE 63 CO -0.00 0.33 -0.15 -0.76 0.00 0.00 0.00 174.94 174.35 2vvr s LEU 64 N 0.93 2.01 -0.06 2.97 1.43 -0.23 -1.53 118.68 124.21 2vvr s LEU 64 Ca -0.10 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2vvr s LEU 64 Cb -0.15 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.28 2vvr s LEU 64 CO 0.01 0.19 -0.08 -0.63 0.23 0.00 0.00 176.35 176.06 2vvr s ILE 65 N -0.32 0.86 0.00 -0.59 1.01 -0.78 -2.59 121.20 118.80 2vvr s ILE 65 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2vvr s ILE 65 Cb -0.06 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2vvr s ILE 65 CO -0.00 0.30 0.00 0.00 0.00 0.00 0.00 174.94 175.24 2vvr h GLY 67 N 0.00 0.87 0.00 0.00 0.00 -1.87 0.20 103.07 102.27 2vvr h GLY 67 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2vvr h GLY 67 CO 0.00 0.05 -0.48 -1.30 0.00 0.00 0.00 176.54 174.81 2vvr n THR 68 N -4.92 0.00 -0.01 4.70 -2.24 -1.26 -1.19 114.28 109.36 2vvr n THR 68 Ca 0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2vvr n THR 68 Cb 0.23 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.68 2.84 0.21 3.38 0.00 -1.19 -2.96 105.19 109.15 2vvr n GLY 69 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.06 -0.28 1.61 2.07 -1.94 -2.27 116.25 115.50 2vvr h VAL 70 Ca 0.00 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.87 2vvr h VAL 70 Cb 0.00 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 2vvr h VAL 70 CO 0.00 0.02 -0.03 1.23 0.02 0.00 0.00 177.57 178.81 2vvr h GLY 71 N -1.11 0.24 1.38 2.17 0.00 -2.00 0.65 103.07 104.41 2vvr h GLY 71 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2vvr h GLY 71 CO 0.07 -0.08 0.26 1.19 0.00 0.00 0.00 176.54 177.98 2vvr h ILE 72 N 0.05 1.19 -0.01 2.60 2.10 -1.90 -1.97 117.51 119.57 2vvr h ILE 72 Ca 0.13 -0.57 -0.19 0.00 1.08 0.00 0.00 64.86 65.32 2vvr h ILE 72 Cb 0.19 0.49 -0.01 0.00 -1.09 0.00 0.00 36.82 36.40 2vvr h ILE 72 CO -0.25 0.23 -0.83 0.77 -1.08 0.00 0.00 178.15 176.99 2vvr h SER 73 N 0.80 0.25 -0.34 2.19 4.64 -0.84 -2.45 113.55 117.80 2vvr h SER 73 Ca 0.20 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vvr h SER 73 Cb 0.11 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2vvr h SER 73 CO -0.02 0.97 0.22 0.40 -0.87 0.00 0.00 176.83 177.53 2vvr h ILE 74 N 0.12 1.09 -0.46 0.95 2.04 -0.49 -1.71 117.51 119.05 2vvr h ILE 74 Ca -0.04 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2vvr h ILE 74 Cb 1.43 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2vvr h ILE 74 CO 0.13 0.09 0.24 0.00 0.00 0.00 0.00 178.15 178.61 2vvr h ALA 75 N 1.12 0.58 -0.71 1.87 0.00 -1.36 -2.66 119.26 118.10 2vvr h ALA 75 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2vvr h ALA 75 Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2vvr h ALA 75 CO -0.03 -0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.40 2vvr h ALA 76 N 1.23 0.92 0.00 0.00 0.00 -1.29 -2.83 119.26 117.30 2vvr h ALA 76 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2vvr h ALA 76 Cb 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2vvr h ALA 76 CO -0.12 0.55 -0.09 -0.91 0.00 0.00 0.00 179.25 178.67 2vvr h ASN 77 N 1.01 0.00 0.44 0.00 -0.26 -1.02 -2.10 115.58 113.65 2vvr h ASN 77 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2vvr h ASN 77 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 2vvr h ASN 77 CO -0.02 0.09 0.00 0.11 -1.06 0.00 0.00 177.43 176.55 2vvr h LYS 78 N 0.00 0.00 -6.60 0.81 1.79 -1.21 -3.44 116.57 107.91 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 0.36 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2vvr h LYS 78 CO 0.01 0.00 0.14 -0.06 -1.08 0.00 0.00 179.45 178.47 2vvr s PHE 79 N -3.65 3.68 0.30 -1.35 0.40 -0.79 -5.05 117.98 111.52 2vvr s PHE 79 Ca -0.00 1.46 -0.29 0.00 -0.60 0.00 0.00 56.93 57.50 2vvr s PHE 79 Cb 0.09 -2.67 -0.10 0.00 0.51 0.00 0.00 43.02 40.85 2vvr s PHE 79 CO 0.38 0.34 1.20 0.00 0.70 0.00 0.00 175.22 177.84 2vvr s ALA 80 N -1.49 3.45 0.00 5.36 0.00 -1.26 -2.87 121.76 124.94 2vvr s ALA 80 Ca 0.43 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2vvr s ALA 80 Cb -0.18 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2vvr s ALA 80 CO 0.22 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2vvr n GLY 81 N 1.04 2.17 3.77 0.00 0.00 -1.26 -4.83 105.19 106.08 2vvr n GLY 81 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.09 5.23 -0.28 -0.61 -1.09 -1.14 -4.87 121.20 115.35 2vvr s ILE 82 Ca 0.00 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 2vvr s ILE 82 Cb 0.00 -3.66 0.09 0.00 -1.58 0.00 0.00 42.46 37.30 2vvr s ILE 82 CO 0.00 0.45 0.04 -0.13 -1.23 0.00 0.00 174.94 174.07 2vvr s ARG 83 N -0.03 1.12 -0.19 2.79 0.52 -1.26 -4.78 118.95 117.12 2vvr s ARG 83 Ca 0.20 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 54.21 2vvr s ARG 83 Cb -0.14 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 2vvr s ARG 83 CO 0.07 -0.84 -0.02 0.00 0.02 0.00 0.00 175.30 174.54 2vvr s ALA 84 N 1.43 3.00 -0.20 2.13 0.00 -1.26 -1.35 121.76 125.51 2vvr s ALA 84 Ca 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 2vvr s ALA 84 Cb -0.18 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 2vvr s ALA 84 CO -0.15 -0.04 0.13 0.54 0.00 0.00 0.00 175.76 176.24 2vvr s VAL 85 N 0.80 5.38 -0.12 0.00 0.11 -0.07 -4.97 120.40 121.54 2vvr s VAL 85 Ca -0.00 0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 59.20 2vvr s VAL 85 Cb -0.14 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 2vvr s VAL 85 CO 0.02 0.43 -0.03 0.54 -3.33 0.00 0.00 175.10 172.73 2vvr s VAL 86 N 0.41 4.01 0.28 2.04 0.11 -1.26 -0.31 120.40 125.68 2vvr s VAL 86 Ca 0.08 -0.34 -0.19 0.00 -2.93 0.00 0.00 61.98 58.60 2vvr s VAL 86 Cb -0.11 -2.72 0.02 0.00 -1.53 0.00 0.00 36.38 32.04 2vvr s VAL 86 CO -0.01 0.55 0.68 0.00 -3.33 0.00 0.00 175.10 172.98 2vvr n SER 88 N -0.48 1.40 -3.79 0.00 3.41 -1.26 -4.55 113.62 108.35 2vvr n SER 88 Ca -0.04 -2.23 -0.10 0.00 -0.26 0.00 0.00 58.87 56.24 2vvr n SER 88 Cb 0.60 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.32 0.83 0.46 4.33 4.04 -1.26 -4.98 118.70 120.82 2vvr s GLU 89 Ca 0.12 -0.71 0.26 0.00 0.04 0.00 0.00 54.97 54.67 2vvr s GLU 89 Cb 0.10 0.35 0.60 0.00 0.02 0.00 0.00 34.13 35.20 2vvr s GLU 89 CO 0.01 -0.27 1.70 -1.00 -1.84 0.00 0.00 175.26 173.86 2vvr h PRO 90 N 2.99 0.00 0.12 -4.83 0.14 -1.90 -3.33 132.00 125.18 2vvr h PRO 90 Ca -0.33 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 65.81 2vvr h PRO 90 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.34 2vvr h PRO 90 CO 0.50 0.00 -0.07 -0.92 0.14 0.00 0.00 178.00 177.65 2vvr h TYR 91 N 0.00 -0.18 -0.79 1.56 3.20 -1.97 -0.47 116.97 118.33 2vvr h TYR 91 Ca 0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2vvr h TYR 91 Cb 0.88 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 39.15 2vvr h TYR 91 CO 0.00 -0.11 0.47 0.77 -1.64 0.00 0.00 178.16 177.65 2vvr h SER 92 N -0.18 0.73 0.13 -2.11 0.02 -2.00 0.09 113.55 110.22 2vvr h SER 92 Ca -0.01 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2vvr h SER 92 Cb 0.15 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2vvr h SER 92 CO 0.01 0.46 -0.06 0.00 -1.14 0.00 0.00 176.83 176.10 2vvr h ALA 93 N 1.39 -0.17 0.37 3.77 0.00 -1.64 -1.77 119.26 121.21 2vvr h ALA 93 Ca 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2vvr h ALA 93 Cb 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2vvr h ALA 93 CO -0.18 -0.56 -0.26 0.37 0.00 0.00 0.00 179.25 178.62 2vvr h GLN 94 N -0.24 -0.60 -0.27 0.00 4.15 -0.73 -2.80 115.11 114.62 2vvr h GLN 94 Ca -0.02 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2vvr h GLN 94 Cb 0.19 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2vvr h GLN 94 CO 0.03 -0.40 0.09 1.25 -1.93 0.00 0.00 178.83 177.87 2vvr h LEU 95 N -0.62 0.33 -1.41 -2.39 5.85 -1.02 -1.94 115.31 114.11 2vvr h LEU 95 Ca -0.03 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 2vvr h LEU 95 Cb 0.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2vvr h LEU 95 CO 0.01 0.32 -0.27 0.77 -0.34 0.00 0.00 178.44 178.93 2vvr h SER 96 N 0.37 0.00 0.01 1.25 4.64 -1.18 0.26 113.55 118.90 2vvr h SER 96 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2vvr h SER 96 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2vvr h SER 96 CO -0.01 0.27 -0.00 0.03 -0.87 0.00 0.00 176.83 176.25 2vvr h ARG 97 N 0.00 -0.01 -0.63 4.77 2.47 -1.11 -0.74 114.38 119.13 2vvr h ARG 97 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2vvr h ARG 97 Cb 0.59 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.89 2vvr h ARG 97 CO 0.04 0.63 0.27 1.96 0.56 0.00 0.00 179.97 183.43 2vvr h GLN 98 N -0.66 0.93 0.00 0.04 4.20 -1.00 -2.48 115.11 116.14 2vvr h GLN 98 Ca -0.00 -0.16 -0.33 0.00 0.06 0.00 0.00 58.65 58.22 2vvr h GLN 98 Cb 0.65 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 2vvr h GLN 98 CO 0.00 0.77 -2.26 0.09 -0.67 0.00 0.00 178.83 176.76 2vvr n ASN 99 N -4.46 1.49 -0.31 1.46 4.13 0.87 -0.14 115.26 118.29 2vvr n ASN 99 Ca 0.04 -0.07 0.05 0.00 1.68 0.00 0.00 54.58 56.29 2vvr n ASN 99 Cb 0.15 0.24 0.02 0.00 -1.54 0.00 0.00 39.78 38.65 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 -2.93 1.49 -3.91 6.41 5.03 -0.76 -4.81 115.26 115.79 2vvr n ASN 100 Ca -0.35 -1.25 -0.27 0.00 0.87 0.00 0.00 54.58 53.58 2vvr n ASN 100 Cb 1.00 0.29 0.01 0.00 -1.02 0.00 0.00 39.78 40.06 2vvr n ASN 100 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2vvr n ASP 101 N 0.08 -2.52 -4.77 6.41 2.03 -0.36 -4.89 116.55 112.55 2vvr n ASP 101 Ca 0.05 -0.88 -0.41 0.00 0.52 0.00 0.00 54.79 54.07 2vvr n ASP 101 Cb 0.24 -3.59 -0.01 0.00 -0.72 0.00 0.00 41.12 37.04 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 -3.56 2.19 -0.81 5.18 -4.23 -0.78 -4.85 115.64 108.78 2vvr s THR 102 Ca 0.33 0.18 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 2vvr s THR 102 Cb -0.17 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.61 2vvr s THR 102 CO 0.85 0.04 0.70 -0.46 -0.54 0.00 0.00 174.62 175.21 2vvr n ASN 103 N 1.15 1.53 -3.96 3.99 0.23 -0.45 -4.82 115.26 112.93 2vvr n ASN 103 Ca 0.03 -1.26 -0.19 0.00 -0.53 0.00 0.00 54.58 52.63 2vvr n ASN 103 Cb 0.39 0.02 -0.15 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.56 0.62 -0.07 3.53 1.01 -1.03 -0.98 120.40 122.91 2vvr s VAL 104 Ca 0.08 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2vvr s VAL 104 Cb 0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2vvr s VAL 104 CO 0.08 0.21 -0.20 -0.22 0.00 0.00 0.00 175.10 174.97 2vvr s LEU 105 N 0.34 2.35 0.10 3.92 2.96 -0.25 -0.89 118.68 127.22 2vvr s LEU 105 Ca -0.05 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2vvr s LEU 105 Cb -0.09 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2vvr s LEU 105 CO 0.00 0.25 -0.12 0.00 -1.32 0.00 0.00 176.35 175.17 2vvr s ALA 106 N -0.20 1.21 0.33 5.97 0.00 0.58 -1.06 121.76 128.59 2vvr s ALA 106 Ca -0.01 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 2vvr s ALA 106 Cb -0.13 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.00 2vvr s ALA 106 CO 0.03 0.04 0.75 -0.59 0.00 0.00 0.00 175.76 175.99 2vvr s PHE 107 N -2.11 -0.01 -0.14 0.00 -0.71 -1.07 -2.71 117.98 111.22 2vvr s PHE 107 Ca 0.05 -0.55 0.01 0.00 -1.04 0.00 0.00 56.93 55.39 2vvr s PHE 107 Cb -0.05 0.76 -0.00 0.00 -1.21 0.00 0.00 43.02 42.51 2vvr s PHE 107 CO 0.01 -1.40 -0.17 0.20 -1.34 0.00 0.00 175.22 172.52 2vvr s GLY 108 N -3.00 1.45 0.51 1.99 0.00 -1.15 -3.15 107.32 103.97 2vvr s GLY 108 Ca 0.14 -1.01 0.34 0.00 0.00 0.00 0.00 44.72 44.18 2vvr s GLY 108 CO 0.09 -0.07 2.01 1.48 0.00 0.00 0.00 173.10 176.62 2vvr h SER 109 N 7.12 0.00 -0.12 1.64 4.64 -0.57 -1.27 113.55 125.00 2vvr h SER 109 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2vvr h SER 109 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2vvr h SER 109 CO 0.55 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.05 2vvr n ARG 110 N -2.87 2.32 -0.05 4.77 5.12 -0.33 -4.54 116.66 121.07 2vvr n ARG 110 Ca -0.00 -1.93 -0.11 0.00 -1.93 0.00 0.00 57.85 53.87 2vvr n ARG 110 Cb 0.21 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 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 1.29 1.03 -4.20 1.55 0.31 -0.71 -5.02 118.33 112.58 2vvr n VAL 111 Ca 0.16 -0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.14 2vvr n VAL 111 Cb 0.58 -1.82 -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 -2.35 4.51 0.86 2.52 -7.23 -0.56 -5.05 120.40 113.10 2vvr s VAL 112 Ca -0.18 -0.40 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 2vvr s VAL 112 Cb 0.06 -3.01 0.11 0.00 0.56 0.00 0.00 36.38 34.10 2vvr s VAL 112 CO 0.24 0.42 1.18 -0.83 -0.31 0.00 0.00 175.10 175.81 2vvr s GLY 113 N -1.47 1.61 0.20 2.32 0.00 -1.26 -4.63 107.32 104.08 2vvr s GLY 113 Ca 0.19 -0.68 -0.09 0.00 0.00 0.00 0.00 44.72 44.14 2vvr s GLY 113 CO 0.10 -0.13 1.79 -2.00 0.00 0.00 0.00 173.10 172.86 2vvr h LEU 114 N -1.27 0.98 -0.06 0.66 5.85 -1.99 -1.35 115.31 118.13 2vvr h LEU 114 Ca -0.47 -0.13 -0.25 0.00 0.84 0.00 0.00 57.88 57.86 2vvr h LEU 114 Cb 1.32 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.11 2vvr h LEU 114 CO 0.61 0.84 -1.05 -0.33 -0.34 0.00 0.00 178.44 178.17 2vvr h GLU 115 N 1.05 0.48 -0.45 1.25 4.39 -1.99 -1.13 114.58 118.19 2vvr h GLU 115 Ca 0.26 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2vvr h GLU 115 Cb 0.12 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2vvr h GLU 115 CO -0.03 1.21 0.29 1.25 -1.16 0.00 0.00 179.01 180.56 2vvr h LEU 116 N 0.25 0.52 -0.62 1.33 5.85 -1.95 -1.97 115.31 118.73 2vvr h LEU 116 Ca -0.11 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2vvr h LEU 116 Cb 1.71 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.55 2vvr h LEU 116 CO 0.19 0.39 0.29 0.00 -0.34 0.00 0.00 178.44 178.98 2vvr h ALA 117 N 1.15 0.82 -0.85 1.25 0.00 -1.02 -0.29 119.26 120.32 2vvr h ALA 117 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2vvr h ALA 117 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2vvr h ALA 117 CO -0.03 -0.08 0.53 0.87 0.00 0.00 0.00 179.25 180.54 2vvr h LYS 118 N 0.53 1.14 -0.75 0.00 1.57 -1.09 -0.52 116.57 117.46 2vvr h LYS 118 Ca 0.30 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2vvr h LYS 118 Cb 0.28 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2vvr h LYS 118 CO -0.23 0.79 0.27 1.98 -0.57 0.00 0.00 179.45 181.68 2vvr h MET 119 N 1.16 1.14 -0.37 3.15 4.05 -0.60 -0.67 114.93 122.80 2vvr h MET 119 Ca 0.31 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2vvr h MET 119 Cb -0.08 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 2vvr h MET 119 CO -0.06 0.95 0.15 0.82 0.23 0.00 0.00 176.91 179.00 2vvr h ILE 120 N 1.10 1.19 -0.35 1.77 2.04 -0.56 -1.05 117.51 121.64 2vvr h ILE 120 Ca 0.25 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.57 2vvr h ILE 120 Cb 0.26 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2vvr h ILE 120 CO -0.01 0.21 0.12 0.58 0.00 0.00 0.00 178.15 179.04 2vvr h VAL 121 N 0.46 0.89 -0.82 1.67 2.07 -0.92 -1.34 116.25 118.27 2vvr h VAL 121 Ca 0.13 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 2vvr h VAL 121 Cb 0.18 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2vvr h VAL 121 CO -0.01 0.05 0.35 0.44 0.02 0.00 0.00 177.57 178.42 2vvr h ASP 122 N 0.27 1.11 -0.73 0.57 3.32 -0.90 -0.64 116.42 119.42 2vvr h ASP 122 Ca 0.16 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2vvr h ASP 122 Cb 0.14 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2vvr h ASP 122 CO -0.17 0.97 0.22 0.00 -1.72 0.00 0.00 179.24 178.54 2vvr h ALA 123 N 1.19 0.96 0.10 3.45 0.00 -0.96 -0.37 119.26 123.62 2vvr h ALA 123 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2vvr h ALA 123 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2vvr h ALA 123 CO -0.03 0.65 -0.05 2.35 0.00 0.00 0.00 179.25 182.18 2vvr h TRP 124 N 1.09 -0.13 -0.08 0.00 7.01 -0.92 -2.82 115.95 120.09 2vvr h TRP 124 Ca 0.23 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.20 2vvr h TRP 124 Cb 0.32 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2vvr h TRP 124 CO 0.03 0.22 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.71 2vvr h LEU 125 N -0.49 0.11 -0.17 0.65 3.38 -1.10 -2.99 115.31 114.71 2vvr h LEU 125 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2vvr h LEU 125 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2vvr h LEU 125 CO 0.02 0.25 0.00 1.23 0.09 0.00 0.00 178.44 180.03 2vvr h GLY 126 N 0.55 0.00 -4.01 0.83 0.00 -1.00 -3.47 103.07 95.98 2vvr h GLY 126 Ca 0.03 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.81 2vvr h GLY 126 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2vvr s ALA 127 N -3.25 3.51 -0.05 3.60 0.00 -1.07 -5.08 121.76 119.42 2vvr s ALA 127 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.08 2vvr s ALA 127 Cb 0.06 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 2vvr s ALA 127 CO 0.65 0.39 -0.14 -1.14 0.00 0.00 0.00 175.76 175.51 2vvr s GLN 128 N -1.83 2.51 0.15 0.00 0.74 -1.26 -4.85 119.66 115.11 2vvr s GLN 128 Ca 0.39 -0.70 -0.31 0.00 0.05 0.00 0.00 55.36 54.78 2vvr s GLN 128 Cb -0.16 -2.38 -0.11 0.00 1.10 0.00 0.00 33.01 31.46 2vvr s GLN 128 CO 0.20 0.62 1.81 -0.47 -0.55 0.00 0.00 175.29 176.89 2vvr s TYR 129 N -0.71 2.32 -1.38 1.67 5.04 -1.23 -3.99 117.35 119.07 2vvr s TYR 129 Ca 0.11 0.06 0.27 0.00 -2.44 0.00 0.00 57.07 55.07 2vvr s TYR 129 Cb -0.11 -4.18 0.96 0.00 0.35 0.00 0.00 41.96 38.98 2vvr s TYR 129 CO 0.01 -4.76 1.70 0.39 -1.34 0.00 0.00 175.55 171.55 2vvr n GLU 130 N 5.27 0.41 0.00 4.97 1.02 0.80 -4.96 120.64 128.15 2vvr n GLU 130 Ca 0.17 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2vvr n GLU 130 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 1.39 3.05 7.00 0.62 0.00 -1.26 -4.84 105.19 111.15 2vvr n GLY 131 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 3.43 0.31 -0.02 0.00 -1.26 -1.61 105.19 106.04 2vvr n GLY 132 Ca 0.00 -0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.61 0.11 -2.02 -2.34 114.38 111.74 2vvr h ARG 133 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2vvr h ARG 133 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2vvr h ARG 133 CO 0.00 0.00 -0.12 0.45 0.10 0.00 0.00 179.97 180.40 2vvr h HIS 134 N 0.00 0.00 -0.47 4.08 3.86 -1.62 -3.31 115.15 117.68 2vvr h HIS 134 Ca 0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 2vvr h HIS 134 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 2vvr h HIS 134 CO 0.00 0.12 0.17 0.37 0.86 0.00 0.00 177.93 179.45 2vvr h GLN 135 N 0.00 0.71 -1.00 2.45 5.75 -1.49 -1.38 115.11 120.15 2vvr h GLN 135 Ca -0.00 -0.14 0.08 0.00 -0.15 0.00 0.00 58.65 58.44 2vvr h GLN 135 Cb 0.71 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.08 2vvr h GLN 135 CO 0.02 0.66 0.64 1.96 -2.65 0.00 0.00 178.83 179.45 2vvr h GLN 136 N 0.62 1.08 -0.21 1.69 4.20 -1.76 0.11 115.11 120.84 2vvr h GLN 136 Ca 0.15 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2vvr h GLN 136 Cb 0.22 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2vvr h GLN 136 CO -0.01 0.71 -0.04 0.00 -0.67 0.00 0.00 178.83 178.82 2vvr h ARG 137 N 1.11 0.39 -0.79 1.46 3.08 -1.64 -1.78 114.38 116.22 2vvr h ARG 137 Ca 0.45 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 2vvr h ARG 137 Cb 0.27 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 2vvr h ARG 137 CO -0.20 0.63 0.42 0.28 -1.07 0.00 0.00 179.97 180.03 2vvr h VAL 138 N 0.12 1.24 -0.47 2.04 2.07 -0.81 -1.94 116.25 118.51 2vvr h VAL 138 Ca 0.05 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2vvr h VAL 138 Cb 0.48 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2vvr h VAL 138 CO 0.02 0.27 0.28 -0.33 0.02 0.00 0.00 177.57 177.83 2vvr h GLU 139 N 1.10 0.63 -0.44 1.57 5.08 -0.75 -1.64 114.58 120.12 2vvr h GLU 139 Ca 0.28 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2vvr h GLU 139 Cb 0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2vvr h GLU 139 CO -0.04 0.45 0.14 0.00 -1.00 0.00 0.00 179.01 178.56 2vvr h ALA 140 N 1.66 1.43 -0.04 3.43 0.00 -0.55 -1.30 119.26 123.90 2vvr h ALA 140 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2vvr h ALA 140 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2vvr h ALA 140 CO -0.03 0.43 0.01 0.82 0.00 0.00 0.00 179.25 180.48 2vvr h ILE 141 N 0.63 1.15 -0.66 0.00 2.04 -0.89 -2.48 117.51 117.30 2vvr h ILE 141 Ca 0.15 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.69 2vvr h ILE 141 Cb 0.19 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.56 2vvr h ILE 141 CO -0.01 0.12 0.18 0.74 0.00 0.00 0.00 178.15 179.19 2vvr h THR 142 N -0.12 0.63 -0.72 -0.27 2.02 -1.31 -1.81 112.91 111.33 2vvr h THR 142 Ca 0.01 -0.11 0.14 0.00 0.77 0.00 0.00 66.41 67.22 2vvr h THR 142 Cb 0.18 0.29 -0.10 0.00 -1.74 0.00 0.00 68.15 66.78 2vvr h THR 142 CO -0.00 0.06 0.25 0.00 0.37 0.00 0.00 175.52 176.19 2vvr h ALA 143 N 1.52 0.98 -0.68 6.16 0.00 -1.01 -1.22 119.26 125.00 2vvr h ALA 143 Ca 0.36 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.40 2vvr h ALA 143 Cb 0.54 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2vvr h ALA 143 CO -0.42 -0.25 0.45 0.82 0.00 0.00 0.00 179.25 179.85 2vvr h ILE 144 N 0.38 1.16 0.00 0.00 2.04 -0.87 -2.21 117.51 118.01 2vvr h ILE 144 Ca 0.40 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2vvr h ILE 144 Cb 0.61 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2vvr h ILE 144 CO -0.42 0.16 -0.00 -0.33 0.00 0.00 0.00 178.15 177.56 2vvr h GLU 145 N 0.90 0.00 0.00 2.37 5.08 -0.97 -3.52 114.58 118.44 2vvr h GLU 145 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2vvr h GLU 145 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2vvr h GLU 145 CO -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.95