#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 -4.43 0.03 4.76 -1.26 -4.86 118.16 113.06 2vvr n LYS 2 Ca 0.00 0.20 -0.32 0.00 -2.87 0.00 0.00 58.31 55.32 2vvr n LYS 2 Cb 0.00 -1.70 -0.16 0.00 -1.84 0.00 0.00 35.03 31.33 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 -2.56 2.93 -0.09 1.97 1.02 -1.26 -0.86 119.74 120.89 2vvr s LYS 3 Ca -0.09 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.10 2vvr s LYS 3 Cb 0.07 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2vvr s LYS 3 CO 0.81 -0.10 -0.15 0.42 -0.92 0.00 0.00 175.35 175.42 2vvr s ILE 4 N 1.03 1.40 -0.08 2.17 -1.09 -0.61 -0.37 121.20 123.65 2vvr s ILE 4 Ca -0.02 -0.60 -0.29 0.00 -2.23 0.00 0.00 60.65 57.50 2vvr s ILE 4 Cb -0.14 -1.27 -0.02 0.00 -1.58 0.00 0.00 42.46 39.44 2vvr s ILE 4 CO -0.06 0.42 0.98 0.00 -1.23 0.00 0.00 174.94 175.04 2vvr s ALA 5 N 0.84 3.33 -0.10 9.38 0.00 -0.07 -0.15 121.76 134.99 2vvr s ALA 5 Ca -0.10 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 2vvr s ALA 5 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2vvr s ALA 5 CO 0.01 -0.48 -0.03 0.12 0.00 0.00 0.00 175.76 175.38 2vvr s PHE 6 N 1.68 3.05 0.03 0.00 2.19 -0.16 -0.77 117.98 124.00 2vvr s PHE 6 Ca 0.48 -0.01 -0.07 0.00 0.33 0.00 0.00 56.93 57.66 2vvr s PHE 6 Cb -0.19 -1.82 -0.00 0.00 -1.31 0.00 0.00 43.02 39.69 2vvr s PHE 6 CO 0.21 0.27 0.14 0.20 1.83 0.00 0.00 175.22 177.86 2vvr s GLY 7 N -0.45 0.10 0.19 13.12 0.00 -0.23 -0.53 107.32 119.54 2vvr s GLY 7 Ca 0.07 -0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 2vvr s GLY 7 CO 0.02 -0.54 0.67 0.00 0.00 0.00 0.00 173.10 173.25 2vvr n ASP 9 N -0.40 0.08 0.25 0.00 3.85 -1.12 -0.48 116.55 118.72 2vvr n ASP 9 Ca -0.11 -1.06 0.10 0.00 -0.71 0.00 0.00 54.79 53.00 2vvr n ASP 9 Cb 0.63 -0.02 0.64 0.00 -1.35 0.00 0.00 41.12 41.02 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 -0.04 0.00 0.06 2.11 2.07 -1.80 -0.29 115.15 117.26 2vvr h HIS 10 Ca -0.01 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.35 2vvr h HIS 10 Cb 0.05 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.03 2vvr h HIS 10 CO 0.00 0.15 -0.80 0.28 -3.07 0.00 0.00 177.93 174.48 2vvr h VAL 11 N 0.00 1.35 -0.26 6.12 2.07 -1.91 -3.25 116.25 120.37 2vvr h VAL 11 Ca -0.00 -2.36 0.07 0.00 0.82 0.00 0.00 66.70 65.23 2vvr h VAL 11 Cb 0.34 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2vvr h VAL 11 CO 0.02 0.59 0.25 1.23 0.02 0.00 0.00 177.57 179.68 2vvr h GLY 12 N -0.59 0.00 1.42 2.17 0.00 -1.68 -2.63 103.07 101.76 2vvr h GLY 12 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.21 2vvr h GLY 12 CO 0.00 0.00 0.23 -2.75 0.00 0.00 0.00 176.54 174.02 2vvr h PHE 13 N 0.00 0.00 0.00 5.60 3.04 -1.08 -2.11 116.94 122.39 2vvr h PHE 13 Ca 0.12 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 2vvr h PHE 13 Cb 0.62 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.13 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 0.21 -0.01 1.41 3.07 -1.64 -1.93 117.51 118.61 2vvr h ILE 14 Ca 0.11 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.35 2vvr h ILE 14 Cb 0.56 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 2vvr h ILE 14 CO -0.00 0.02 -0.50 0.18 -1.05 0.00 0.00 178.15 176.80 2vvr n LEU 15 N -3.34 1.59 0.27 0.16 4.77 -0.80 -4.76 117.00 114.89 2vvr n LEU 15 Ca -0.02 -0.70 -0.17 0.00 -0.03 0.00 0.00 56.01 55.08 2vvr n LEU 15 Cb 0.14 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 2vvr n LEU 15 CO 0.24 0.31 0.58 0.50 -1.33 0.00 0.00 177.39 177.69 2vvr h LYS 16 N 1.62 -0.86 -0.43 3.23 3.64 -1.37 -1.06 116.57 121.33 2vvr h LYS 16 Ca 0.00 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2vvr h LYS 16 Cb 0.59 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 2vvr h LYS 16 CO 0.00 -0.57 0.10 1.25 -2.27 0.00 0.00 179.45 177.95 2vvr h HIS 17 N -0.89 0.16 -0.05 1.91 2.76 -1.86 0.16 115.15 117.34 2vvr h HIS 17 Ca -0.04 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 57.96 2vvr h HIS 17 Cb 0.78 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 2vvr h HIS 17 CO -0.22 0.02 -0.77 0.93 -1.30 0.00 0.00 177.93 176.59 2vvr h GLU 18 N 0.23 0.34 -0.14 5.26 4.39 -1.89 -0.62 114.58 122.15 2vvr h GLU 18 Ca 0.21 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2vvr h GLU 18 Cb 0.25 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2vvr h GLU 18 CO -0.27 0.96 -0.07 0.82 -1.16 0.00 0.00 179.01 179.29 2vvr h ILE 19 N 0.22 1.32 -0.45 3.13 1.08 -0.62 -0.88 117.51 121.31 2vvr h ILE 19 Ca -0.04 -1.11 0.05 0.00 -0.39 0.00 0.00 64.86 63.37 2vvr h ILE 19 Cb 1.36 1.76 -0.05 0.00 -3.07 0.00 0.00 36.82 36.82 2vvr h ILE 19 CO 0.13 0.32 0.19 0.58 -0.69 0.00 0.00 178.15 178.68 2vvr h VAL 20 N -0.05 0.90 -0.79 1.67 2.07 -0.73 -0.81 116.25 118.51 2vvr h VAL 20 Ca 0.03 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2vvr h VAL 20 Cb 0.54 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2vvr h VAL 20 CO 0.02 0.07 0.52 0.00 0.02 0.00 0.00 177.57 178.20 2vvr h ALA 21 N 1.27 1.03 -0.52 1.67 0.00 -1.04 -1.54 119.26 120.13 2vvr h ALA 21 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2vvr h ALA 21 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2vvr h ALA 21 CO -0.18 0.36 0.20 1.25 0.00 0.00 0.00 179.25 180.88 2vvr h HIS 22 N 1.03 0.80 -0.63 0.00 6.17 -0.85 -1.21 115.15 120.46 2vvr h HIS 22 Ca 0.31 -0.07 0.04 0.00 0.71 0.00 0.00 60.37 61.36 2vvr h HIS 22 Cb -0.05 -0.24 -0.05 0.00 2.52 0.00 0.00 27.41 29.60 2vvr h HIS 22 CO -0.02 0.67 0.37 -0.07 0.71 0.00 0.00 177.93 179.58 2vvr h LEU 23 N 0.70 0.58 -0.70 0.26 3.38 -0.67 -1.70 115.31 117.17 2vvr h LEU 23 Ca 0.17 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2vvr h LEU 23 Cb 0.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2vvr h LEU 23 CO -0.01 0.39 0.15 0.58 0.09 0.00 0.00 178.44 179.64 2vvr h VAL 24 N 0.71 1.26 -0.39 1.22 2.07 -1.07 -0.64 116.25 119.41 2vvr h VAL 24 Ca 0.27 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2vvr h VAL 24 Cb 0.09 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2vvr h VAL 24 CO -0.14 0.38 0.25 -0.33 0.02 0.00 0.00 177.57 177.76 2vvr h GLU 25 N 1.06 0.52 -0.37 1.57 5.08 -0.85 -1.12 114.58 120.46 2vvr h GLU 25 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2vvr h GLU 25 Cb 0.40 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2vvr h GLU 25 CO 0.01 0.35 0.00 0.54 -1.00 0.00 0.00 179.01 178.90 2vvr n ARG 26 N -4.47 1.69 -1.08 2.33 5.12 -0.67 -4.90 116.66 114.67 2vvr n ARG 26 Ca 0.03 -0.88 -0.03 0.00 -1.93 0.00 0.00 57.85 55.04 2vvr n ARG 26 Cb 0.06 -1.30 -0.01 0.00 -1.16 0.00 0.00 32.46 30.05 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 0.73 0.61 3.75 -0.13 0.00 -0.42 -5.03 105.19 104.70 2vvr n GLY 27 Ca 0.08 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.07 4.95 -0.27 1.61 1.01 -0.30 -4.95 120.40 120.37 2vvr s VAL 28 Ca 0.00 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.01 2vvr s VAL 28 Cb 0.00 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2vvr s VAL 28 CO 0.00 0.38 0.82 -0.70 0.00 0.00 0.00 175.10 175.60 2vvr s GLU 29 N 0.05 4.09 -0.23 2.72 2.12 -0.04 -3.92 118.70 123.48 2vvr s GLU 29 Ca 0.32 0.80 -0.12 0.00 0.36 0.00 0.00 54.97 56.32 2vvr s GLU 29 Cb -0.18 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 2vvr s GLU 29 CO 0.17 -0.60 0.23 0.08 -0.54 0.00 0.00 175.26 174.60 2vvr s VAL 30 N 2.92 5.31 -0.47 3.70 1.01 -1.26 -1.58 120.40 130.03 2vvr s VAL 30 Ca 0.34 0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 2vvr s VAL 30 Cb -0.15 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.71 2vvr s VAL 30 CO 0.10 0.31 0.51 -0.63 0.00 0.00 0.00 175.10 175.38 2vvr s ILE 31 N 1.21 5.04 -0.42 2.22 -1.09 0.79 -4.97 121.20 123.97 2vvr s ILE 31 Ca 0.11 -0.60 -0.27 0.00 -2.23 0.00 0.00 60.65 57.66 2vvr s ILE 31 Cb -0.14 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 2vvr s ILE 31 CO 0.06 -0.63 0.99 -0.62 -1.23 0.00 0.00 174.94 173.51 2vvr s ASP 32 N 2.39 6.63 0.00 3.58 3.68 -1.26 -0.98 116.67 130.70 2vvr s ASP 32 Ca 0.11 0.43 0.24 0.00 2.13 0.00 0.00 52.55 55.47 2vvr s ASP 32 Cb -0.20 -2.49 0.72 0.00 -1.45 0.00 0.00 42.92 39.50 2vvr s ASP 32 CO 0.11 -1.03 1.55 0.29 0.13 0.00 0.00 175.17 176.23 2vvr n LYS 33 N 7.19 1.91 0.00 4.34 4.76 0.32 -4.95 118.16 131.72 2vvr n LYS 33 Ca 0.08 -1.35 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 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 1.23 -2.97 3.76 0.72 0.00 -1.25 -4.90 105.19 101.78 2vvr n GLY 34 Ca 0.17 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.57 0.00 -0.14 2.61 5.66 0.36 -0.47 114.28 121.72 2vvr n THR 35 Ca 0.00 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 60.10 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 -3.82 1.09 8.01 -1.26 -4.85 117.44 112.64 2vvr n TRP 36 Ca 0.16 -0.13 -0.08 0.00 -1.31 0.00 0.00 57.50 56.14 2vvr n TRP 36 Cb 0.57 -0.01 0.01 0.00 -2.01 0.00 0.00 31.31 29.87 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 -0.25 -0.06 -0.00 -0.99 1.04 -1.26 -5.03 113.70 107.14 2vvr s SER 37 Ca 0.00 -1.01 0.06 0.00 0.48 0.00 0.00 55.95 55.48 2vvr s SER 37 Cb 0.00 0.82 0.18 0.00 0.10 0.00 0.00 66.02 67.12 2vvr s SER 37 CO 0.00 -1.60 1.13 -1.54 0.98 0.00 0.00 173.24 172.20 2vvr n SER 38 N -1.18 1.14 -4.74 7.02 3.41 -1.26 -4.54 113.62 113.47 2vvr n SER 38 Ca -0.07 -2.02 -0.41 0.00 -0.26 0.00 0.00 58.87 56.11 2vvr n SER 38 Cb 0.60 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.72 4.47 0.27 4.33 2.02 -1.26 -4.87 118.70 121.94 2vvr s GLU 39 Ca 0.13 1.90 -0.31 0.00 0.02 0.00 0.00 54.97 56.72 2vvr s GLU 39 Cb 0.07 -3.24 -0.13 0.00 0.10 0.00 0.00 34.13 30.94 2vvr s GLU 39 CO 0.09 -0.13 1.49 0.54 0.02 0.00 0.00 175.26 177.27 2vvr n ARG 40 N 2.63 2.35 -3.80 1.61 1.74 -1.26 -4.53 116.66 115.40 2vvr n ARG 40 Ca 0.05 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.87 2vvr n ARG 40 Cb 0.44 -2.55 -0.05 0.00 -1.02 0.00 0.00 32.46 29.28 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 -0.05 0.05 -0.19 0.55 -1.32 -1.26 -5.00 115.64 108.43 2vvr s THR 41 Ca 0.66 -0.96 -0.14 0.00 -1.21 0.00 0.00 61.69 60.04 2vvr s THR 41 Cb -0.58 -1.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.80 2vvr s THR 41 CO 0.49 -0.25 0.32 -1.81 -2.21 0.00 0.00 174.62 171.16 2vvr s ASP 42 N -2.89 6.39 0.43 8.08 1.11 -1.26 -4.59 116.67 123.94 2vvr s ASP 42 Ca 0.10 0.46 0.14 0.00 0.18 0.00 0.00 52.55 53.43 2vvr s ASP 42 Cb 0.01 -2.19 0.95 0.00 1.07 0.00 0.00 42.92 42.76 2vvr s ASP 42 CO -0.04 0.03 1.96 0.10 1.18 0.00 0.00 175.17 178.39 2vvr h TYR 43 N 7.06 0.01 -0.87 4.23 -0.00 -2.00 -3.19 116.97 122.21 2vvr h TYR 43 Ca -0.39 -0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.42 2vvr h TYR 43 Cb 1.16 -0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.83 2vvr h TYR 43 CO 0.64 0.22 0.57 -1.35 -0.00 0.00 0.00 178.16 178.24 2vvr h PRO 44 N 0.01 0.90 -0.35 0.10 0.11 -1.94 -1.89 132.00 128.93 2vvr h PRO 44 Ca -0.00 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.10 2vvr h PRO 44 Cb 0.38 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.24 2vvr h PRO 44 CO 0.03 0.59 0.08 1.25 -0.21 0.00 0.00 178.00 179.75 2vvr h HIS 45 N 0.93 0.14 -0.10 0.65 -0.00 -1.99 -0.52 115.15 114.25 2vvr h HIS 45 Ca 0.39 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.61 2vvr h HIS 45 Cb 0.30 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 2vvr h HIS 45 CO -0.00 0.04 -0.65 1.88 -0.00 0.00 0.00 177.93 179.20 2vvr h TYR 46 N 0.21 0.52 -0.40 5.26 -1.99 -1.64 -0.47 116.97 118.46 2vvr h TYR 46 Ca 0.16 -0.21 0.07 0.00 2.00 0.00 0.00 58.73 60.75 2vvr h TYR 46 Cb 0.17 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 38.75 2vvr h TYR 46 CO -0.17 0.94 0.03 0.00 -0.00 0.00 0.00 178.16 178.96 2vvr h ALA 47 N 1.01 0.40 -0.17 3.88 0.00 -1.19 -2.27 119.26 120.92 2vvr h ALA 47 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2vvr h ALA 47 Cb 1.20 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2vvr h ALA 47 CO 0.11 -0.37 0.08 0.77 0.00 0.00 0.00 179.25 179.85 2vvr h SER 48 N 0.15 0.23 -0.67 0.00 0.02 -0.61 0.64 113.55 113.30 2vvr h SER 48 Ca 0.20 -0.13 0.11 0.00 -0.84 0.00 0.00 61.79 61.13 2vvr h SER 48 Cb 0.27 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.67 2vvr h SER 48 CO -0.30 0.30 0.26 1.56 -1.14 0.00 0.00 176.83 177.50 2vvr h GLN 49 N 0.15 0.41 -0.08 3.45 1.08 -1.05 0.80 115.11 119.87 2vvr h GLN 49 Ca 0.06 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 2vvr h GLN 49 Cb 0.13 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2vvr h GLN 49 CO -0.01 0.27 -0.26 0.28 -0.95 0.00 0.00 178.83 178.17 2vvr h VAL 50 N 0.43 1.41 -0.89 -0.54 2.07 -1.25 -2.73 116.25 114.74 2vvr h VAL 50 Ca 0.35 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.27 2vvr h VAL 50 Cb 0.47 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2vvr h VAL 50 CO -0.35 0.46 0.59 0.00 0.02 0.00 0.00 177.57 178.30 2vvr h ALA 51 N 0.47 1.14 -0.48 1.67 0.00 -0.55 -1.53 119.26 119.98 2vvr h ALA 51 Ca -0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2vvr h ALA 51 Cb 0.88 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2vvr h ALA 51 CO 0.05 0.52 -0.16 -0.07 0.00 0.00 0.00 179.25 179.60 2vvr h LEU 52 N 1.20 0.92 -0.58 0.00 3.38 -0.87 -0.51 115.31 118.85 2vvr h LEU 52 Ca 0.33 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2vvr h LEU 52 Cb -0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 2vvr h LEU 52 CO -0.08 1.07 0.25 0.00 0.09 0.00 0.00 178.44 179.77 2vvr h ALA 53 N 1.01 0.75 0.07 1.53 0.00 -1.06 -2.07 119.26 119.49 2vvr h ALA 53 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2vvr h ALA 53 Cb 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2vvr h ALA 53 CO 0.05 0.35 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 2vvr h VAL 54 N 0.80 1.21 -0.54 0.00 2.07 -1.12 -0.97 116.25 117.71 2vvr h VAL 54 Ca 0.20 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2vvr h VAL 54 Cb 0.17 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2vvr h VAL 54 CO -0.02 0.27 0.36 0.00 0.02 0.00 0.00 177.57 178.19 2vvr h ALA 55 N 0.27 1.63 -0.25 1.67 0.00 -1.09 -1.94 119.26 119.55 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 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2vvr h ALA 55 CO 0.02 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.02 2vvr n GLY 56 N -1.46 0.26 2.36 0.00 0.00 -0.78 -4.93 105.19 100.64 2vvr n GLY 56 Ca 0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.98 1.27 0.19 -0.02 0.00 -0.73 -4.89 105.19 101.99 2vvr n GLY 57 Ca 0.11 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.53 1.61 5.08 -1.40 -3.46 114.58 111.88 2vvr h GLU 58 Ca -0.26 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.88 2vvr h GLU 58 Cb 0.86 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.96 2vvr h GLU 58 CO 0.38 0.31 -0.64 0.14 -1.00 0.00 0.00 179.01 178.21 2vvr s VAL 59 N -3.28 0.09 -0.18 3.13 -7.23 -1.18 -5.01 120.40 106.74 2vvr s VAL 59 Ca 0.03 -1.96 0.16 0.00 -1.81 0.00 0.00 61.98 58.40 2vvr s VAL 59 Cb 0.08 -2.27 0.07 0.00 0.56 0.00 0.00 36.38 34.83 2vvr s VAL 59 CO 0.69 -0.25 1.41 0.44 -0.31 0.00 0.00 175.10 177.08 2vvr h ASP 60 N 2.74 0.00 -5.75 4.85 3.32 -1.04 -3.43 116.42 117.11 2vvr h ASP 60 Ca -0.36 0.00 0.31 0.00 0.02 0.00 0.00 57.03 57.01 2vvr h ASP 60 Cb 1.22 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.70 2vvr h ASP 60 CO 0.57 0.46 0.83 -0.83 -1.72 0.00 0.00 179.24 178.55 2vvr s GLY 61 N -4.46 -0.16 0.05 2.75 0.00 -1.16 -4.93 107.32 99.41 2vvr s GLY 61 Ca 0.04 0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.93 2vvr s GLY 61 CO 0.74 3.79 -0.12 -0.32 0.00 0.00 0.00 173.10 177.20 2vvr s GLY 62 N -3.54 0.72 -0.09 0.20 0.00 0.13 -0.89 107.32 103.85 2vvr s GLY 62 Ca 0.24 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2vvr s GLY 62 CO -0.01 -0.89 -0.13 -0.42 0.00 0.00 0.00 173.10 171.65 2vvr s ILE 63 N -1.18 1.31 -0.01 0.90 1.01 0.05 -0.84 121.20 122.44 2vvr s ILE 63 Ca -0.04 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2vvr s ILE 63 Cb -0.09 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2vvr s ILE 63 CO 0.01 0.40 -0.18 -0.76 0.00 0.00 0.00 174.94 174.42 2vvr s LEU 64 N 0.89 2.03 -0.06 2.97 1.43 0.22 -1.06 118.68 125.10 2vvr s LEU 64 Ca -0.10 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2vvr s LEU 64 Cb -0.15 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.17 2vvr s LEU 64 CO 0.01 0.22 -0.04 -0.63 0.23 0.00 0.00 176.35 176.13 2vvr s ILE 65 N -0.42 0.61 0.00 -0.59 1.01 -0.74 -2.60 121.20 118.46 2vvr s ILE 65 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2vvr s ILE 65 Cb -0.07 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2vvr s ILE 65 CO -0.01 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.20 2vvr h GLY 67 N 0.00 0.21 0.00 0.00 0.00 -1.87 -0.74 103.07 100.67 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 -0.82 -1.30 0.00 0.00 0.00 176.54 174.32 2vvr n THR 68 N -5.23 0.00 -0.31 4.70 -2.24 -1.26 -0.93 114.28 109.02 2vvr n THR 68 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2vvr n THR 68 Cb 0.16 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.79 2.02 0.08 3.38 0.00 -1.23 -2.86 105.19 108.36 2vvr n GLY 69 Ca -0.00 0.00 -0.09 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 0.99 -0.72 1.61 2.07 -1.94 -2.47 116.25 115.79 2vvr h VAL 70 Ca 0.00 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 65.92 2vvr h VAL 70 Cb 0.00 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 2vvr h VAL 70 CO 0.00 0.32 0.45 1.23 0.02 0.00 0.00 177.57 179.59 2vvr h GLY 71 N -0.97 1.04 1.56 2.17 0.00 -1.99 0.13 103.07 105.01 2vvr h GLY 71 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2vvr h GLY 71 CO 0.01 0.27 -0.15 1.19 0.00 0.00 0.00 176.54 177.86 2vvr h ILE 72 N 0.86 1.24 0.00 2.60 2.10 -1.91 -1.32 117.51 121.08 2vvr h ILE 72 Ca 0.29 -1.09 -0.20 0.00 1.08 0.00 0.00 64.86 64.94 2vvr h ILE 72 Cb 0.04 1.18 -0.03 0.00 -1.09 0.00 0.00 36.82 36.92 2vvr h ILE 72 CO -0.12 0.36 -0.98 0.77 -1.08 0.00 0.00 178.15 177.10 2vvr h SER 73 N 0.48 0.00 0.09 2.19 4.64 -0.90 -1.98 113.55 118.06 2vvr h SER 73 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2vvr h SER 73 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2vvr h SER 73 CO 0.03 0.97 -0.04 0.40 -0.87 0.00 0.00 176.83 177.32 2vvr h ILE 74 N 0.00 0.97 -0.33 0.95 2.04 -0.52 -1.05 117.51 119.57 2vvr h ILE 74 Ca -0.01 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2vvr h ILE 74 Cb 1.75 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 38.85 2vvr h ILE 74 CO 0.13 0.05 -0.27 0.00 0.00 0.00 0.00 178.15 178.06 2vvr h ALA 75 N 0.70 -0.10 -0.75 1.87 0.00 -1.27 -2.50 119.26 117.21 2vvr h ALA 75 Ca -0.01 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2vvr h ALA 75 Cb 0.17 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2vvr h ALA 75 CO 0.02 -0.67 0.42 0.00 0.00 0.00 0.00 179.25 179.02 2vvr h ALA 76 N 0.85 1.04 0.00 0.00 0.00 -1.30 -1.96 119.26 117.89 2vvr h ALA 76 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vvr h ALA 76 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2vvr h ALA 76 CO -0.47 0.08 0.00 -0.91 0.00 0.00 0.00 179.25 177.96 2vvr h ASN 77 N 0.75 0.00 0.89 0.00 -0.26 -0.77 -2.09 115.58 114.10 2vvr h ASN 77 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 2vvr h ASN 77 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2vvr h ASN 77 CO -0.21 0.00 0.00 0.11 -1.06 0.00 0.00 177.43 176.27 2vvr h LYS 78 N 0.00 0.00 -6.56 0.81 1.79 -0.98 -3.44 116.57 108.19 2vvr h LYS 78 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 2vvr h LYS 78 Cb 0.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 2vvr h LYS 78 CO 0.00 0.00 0.26 -0.06 -1.08 0.00 0.00 179.45 178.57 2vvr s PHE 79 N -3.45 3.89 0.20 -1.35 0.40 -0.79 -5.03 117.98 111.85 2vvr s PHE 79 Ca 0.03 1.73 -0.31 0.00 -0.60 0.00 0.00 56.93 57.78 2vvr s PHE 79 Cb 0.09 -2.89 -0.10 0.00 0.51 0.00 0.00 43.02 40.63 2vvr s PHE 79 CO 0.46 0.40 1.49 0.00 0.70 0.00 0.00 175.22 178.28 2vvr s ALA 80 N -0.77 3.69 0.00 5.36 0.00 -1.26 -2.87 121.76 125.91 2vvr s ALA 80 Ca 0.40 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2vvr s ALA 80 Cb -0.24 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2vvr s ALA 80 CO 0.28 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2vvr n GLY 81 N 3.02 0.95 3.70 0.00 0.00 -1.26 -4.82 105.19 106.78 2vvr n GLY 81 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.50 5.06 -0.27 -0.61 -1.09 -1.14 -4.81 121.20 115.84 2vvr s ILE 82 Ca 0.00 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.49 2vvr s ILE 82 Cb 0.00 -3.27 0.07 0.00 -1.58 0.00 0.00 42.46 37.68 2vvr s ILE 82 CO 0.00 0.48 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.05 2vvr s ARG 83 N 0.11 1.55 -0.14 2.79 0.52 -1.26 -4.78 118.95 117.73 2vvr s ARG 83 Ca 0.07 -1.26 -0.02 0.00 -0.52 0.00 0.00 55.73 54.00 2vvr s ARG 83 Cb -0.12 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2vvr s ARG 83 CO 0.00 -0.73 -0.09 0.00 0.02 0.00 0.00 175.30 174.50 2vvr s ALA 84 N 1.27 2.79 -0.19 2.13 0.00 -1.26 -0.94 121.76 125.56 2vvr s ALA 84 Ca -0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 2vvr s ALA 84 Cb -0.19 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2vvr s ALA 84 CO -0.09 0.23 0.07 0.54 0.00 0.00 0.00 175.76 176.52 2vvr s VAL 85 N 0.35 4.86 -0.12 0.00 0.11 0.13 -4.97 120.40 120.77 2vvr s VAL 85 Ca -0.08 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2vvr s VAL 85 Cb -0.15 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 2vvr s VAL 85 CO 0.04 0.45 -0.04 0.54 -3.33 0.00 0.00 175.10 172.76 2vvr s VAL 86 N 0.47 3.92 0.29 2.04 0.11 -1.26 -0.29 120.40 125.69 2vvr s VAL 86 Ca 0.04 -0.37 -0.19 0.00 -2.93 0.00 0.00 61.98 58.53 2vvr s VAL 86 Cb -0.12 -2.67 0.02 0.00 -1.53 0.00 0.00 36.38 32.07 2vvr s VAL 86 CO 0.00 0.54 0.71 0.00 -3.33 0.00 0.00 175.10 173.02 2vvr n SER 88 N -0.61 1.30 -3.53 0.00 3.41 -1.26 -4.54 113.62 108.39 2vvr n SER 88 Ca -0.04 -2.64 -0.13 0.00 -0.26 0.00 0.00 58.87 55.79 2vvr n SER 88 Cb 0.59 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.60 1.12 0.48 4.33 4.04 -1.26 -4.98 118.70 120.82 2vvr s GLU 89 Ca 0.19 -0.32 0.27 0.00 0.04 0.00 0.00 54.97 55.16 2vvr s GLU 89 Cb 0.18 0.51 0.71 0.00 0.02 0.00 0.00 34.13 35.55 2vvr s GLU 89 CO 0.00 -0.43 1.75 -1.35 -1.84 0.00 0.00 175.26 173.39 2vvr h PRO 90 N 2.51 0.00 -0.17 -4.83 0.11 -1.91 -3.30 132.00 124.41 2vvr h PRO 90 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 2vvr h PRO 90 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2vvr h PRO 90 CO 0.41 0.00 0.03 -0.92 -0.21 0.00 0.00 178.00 177.31 2vvr h TYR 91 N 0.00 0.30 -0.75 0.65 3.20 -1.97 -1.03 116.97 117.37 2vvr h TYR 91 Ca 0.00 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.88 2vvr h TYR 91 Cb 0.82 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 2vvr h TYR 91 CO 0.00 0.43 0.46 0.77 -1.64 0.00 0.00 178.16 178.18 2vvr h SER 92 N 0.08 0.74 0.20 -2.11 0.02 -2.00 -0.66 113.55 109.82 2vvr h SER 92 Ca 0.05 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2vvr h SER 92 Cb 0.29 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2vvr h SER 92 CO 0.00 0.50 -0.10 0.00 -1.14 0.00 0.00 176.83 176.09 2vvr h ALA 93 N 1.34 -0.27 -0.30 3.77 0.00 -1.65 -1.67 119.26 120.48 2vvr h ALA 93 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2vvr h ALA 93 Cb 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2vvr h ALA 93 CO -0.14 -0.60 0.20 0.37 0.00 0.00 0.00 179.25 179.08 2vvr h GLN 94 N -0.37 0.39 -0.15 0.00 4.15 -0.95 -2.59 115.11 115.59 2vvr h GLN 94 Ca -0.03 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.21 2vvr h GLN 94 Cb 0.29 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2vvr h GLN 94 CO 0.04 0.26 -0.56 1.25 -1.93 0.00 0.00 178.83 177.90 2vvr h LEU 95 N 0.40 0.52 -1.74 -2.39 5.85 -1.15 -2.24 115.31 114.57 2vvr h LEU 95 Ca 0.11 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2vvr h LEU 95 Cb -0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2vvr h LEU 95 CO -0.02 0.98 0.28 0.77 -0.34 0.00 0.00 178.44 180.10 2vvr h SER 96 N 0.36 0.28 0.18 1.25 4.64 -1.12 0.38 113.55 119.52 2vvr h SER 96 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2vvr h SER 96 Cb 1.09 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2vvr h SER 96 CO 0.10 0.19 -0.09 0.03 -0.87 0.00 0.00 176.83 176.19 2vvr h ARG 97 N 0.32 -0.23 -0.95 4.77 2.47 -1.20 -1.23 114.38 118.34 2vvr h ARG 97 Ca 0.18 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.94 2vvr h ARG 97 Cb 0.30 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.62 2vvr h ARG 97 CO -0.04 0.18 0.62 1.96 0.56 0.00 0.00 179.97 183.25 2vvr h GLN 98 N -0.78 1.20 0.00 0.04 4.20 -0.81 -2.61 115.11 116.35 2vvr h GLN 98 Ca -0.02 -0.07 -0.25 0.00 0.06 0.00 0.00 58.65 58.37 2vvr h GLN 98 Cb 0.52 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 2vvr h GLN 98 CO 0.04 0.79 -1.93 0.09 -0.67 0.00 0.00 178.83 177.15 2vvr n ASN 99 N -4.46 2.09 -0.42 1.46 4.13 0.13 -1.40 115.26 116.79 2vvr n ASN 99 Ca 0.12 -0.03 0.05 0.00 1.68 0.00 0.00 54.58 56.39 2vvr n ASN 99 Cb 0.05 0.41 0.07 0.00 -1.54 0.00 0.00 39.78 38.77 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 -2.68 2.12 -3.99 6.41 4.13 -0.59 -4.80 115.26 115.85 2vvr n ASN 100 Ca -0.25 -1.61 -0.26 0.00 1.68 0.00 0.00 54.58 54.15 2vvr n ASN 100 Cb 0.89 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 39.03 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 0.44 -0.27 -4.77 6.41 2.03 -0.57 -4.89 116.55 114.94 2vvr n ASP 101 Ca 0.07 -1.03 -0.40 0.00 0.52 0.00 0.00 54.79 53.95 2vvr n ASP 101 Cb 0.29 -2.94 -0.02 0.00 -0.72 0.00 0.00 41.12 37.73 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 -3.98 2.90 -0.56 5.18 -4.23 -0.88 -4.83 115.64 109.24 2vvr s THR 102 Ca 0.02 0.85 0.06 0.00 -1.18 0.00 0.00 61.69 61.43 2vvr s THR 102 Cb -0.01 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.32 2vvr s THR 102 CO 0.90 0.16 0.51 -0.46 -0.54 0.00 0.00 174.62 175.18 2vvr n ASN 103 N 0.52 1.00 -4.04 3.99 0.23 -0.12 -4.83 115.26 112.03 2vvr n ASN 103 Ca 0.02 -1.00 -0.23 0.00 -0.53 0.00 0.00 54.58 52.83 2vvr n ASN 103 Cb 0.44 0.41 -0.16 0.00 -2.08 0.00 0.00 39.78 38.38 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 -0.92 1.04 -0.11 3.53 1.01 -0.97 -0.69 120.40 123.29 2vvr s VAL 104 Ca 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2vvr s VAL 104 Cb 0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2vvr s VAL 104 CO 0.14 0.32 -0.14 -0.22 0.00 0.00 0.00 175.10 175.19 2vvr s LEU 105 N 0.34 2.66 0.11 3.92 2.96 -0.02 -0.69 118.68 127.96 2vvr s LEU 105 Ca -0.07 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2vvr s LEU 105 Cb -0.12 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2vvr s LEU 105 CO 0.02 0.20 -0.16 0.00 -1.32 0.00 0.00 176.35 175.08 2vvr s ALA 106 N 0.14 1.56 0.30 5.97 0.00 0.61 -0.61 121.76 129.74 2vvr s ALA 106 Ca -0.07 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 2vvr s ALA 106 Cb -0.15 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2vvr s ALA 106 CO 0.05 0.21 0.67 -0.59 0.00 0.00 0.00 175.76 176.10 2vvr s PHE 107 N -1.63 0.08 -0.15 0.00 -0.71 -1.07 -2.37 117.98 112.14 2vvr s PHE 107 Ca 0.06 -0.56 0.01 0.00 -1.04 0.00 0.00 56.93 55.40 2vvr s PHE 107 Cb -0.08 0.58 -0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2vvr s PHE 107 CO 0.04 -1.26 -0.16 0.20 -1.34 0.00 0.00 175.22 172.69 2vvr s GLY 108 N -3.00 1.45 0.38 1.99 0.00 -1.14 -3.26 107.32 103.75 2vvr s GLY 108 Ca 0.16 -1.04 0.28 0.00 0.00 0.00 0.00 44.72 44.11 2vvr s GLY 108 CO 0.09 -0.00 1.83 1.48 0.00 0.00 0.00 173.10 176.50 2vvr h SER 109 N 7.26 0.00 -0.02 1.64 4.64 -0.75 -0.40 113.55 125.92 2vvr h SER 109 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2vvr h SER 109 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2vvr h SER 109 CO 0.56 0.00 -0.10 0.54 -0.87 0.00 0.00 176.83 176.96 2vvr n ARG 110 N -2.53 2.04 -0.07 4.77 5.12 -0.10 -4.60 116.66 121.29 2vvr n ARG 110 Ca 0.01 -1.67 -0.15 0.00 -1.93 0.00 0.00 57.85 54.10 2vvr n ARG 110 Cb 0.20 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 29.99 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 0.98 0.98 -4.25 1.55 0.31 -0.31 -5.02 118.33 112.57 2vvr n VAL 111 Ca 0.13 -0.14 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 2vvr n VAL 111 Cb 0.56 -1.78 -0.09 0.00 -0.91 0.00 0.00 33.84 31.62 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 4.16 0.77 2.52 -7.23 -0.31 -5.05 120.40 112.91 2vvr s VAL 112 Ca -0.22 -0.66 -0.12 0.00 -1.81 0.00 0.00 61.98 59.17 2vvr s VAL 112 Cb 0.08 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 34.19 2vvr s VAL 112 CO 0.28 0.33 1.13 -0.83 -0.31 0.00 0.00 175.10 175.70 2vvr s GLY 113 N -1.70 1.61 0.13 2.32 0.00 -1.26 -4.61 107.32 103.81 2vvr s GLY 113 Ca 0.21 -0.45 -0.20 0.00 0.00 0.00 0.00 44.72 44.28 2vvr s GLY 113 CO 0.12 -0.02 1.69 -2.00 0.00 0.00 0.00 173.10 172.89 2vvr h LEU 114 N -0.90 -0.25 -0.41 0.66 5.85 -1.99 -1.35 115.31 116.92 2vvr h LEU 114 Ca -0.46 0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.16 2vvr h LEU 114 Cb 1.29 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2vvr h LEU 114 CO 0.64 -0.09 -0.55 -0.33 -0.34 0.00 0.00 178.44 177.77 2vvr h GLU 115 N -0.03 0.72 -0.64 1.25 4.39 -1.99 -0.10 114.58 118.18 2vvr h GLU 115 Ca 0.11 -0.45 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 2vvr h GLU 115 Cb 0.19 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2vvr h GLU 115 CO -0.24 1.08 0.40 1.25 -1.16 0.00 0.00 179.01 180.33 2vvr h LEU 116 N 0.55 0.76 -0.60 1.33 5.85 -1.94 -1.79 115.31 119.47 2vvr h LEU 116 Ca 0.01 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2vvr h LEU 116 Cb 1.13 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 2vvr h LEU 116 CO 0.11 0.58 0.30 0.00 -0.34 0.00 0.00 178.44 179.09 2vvr h ALA 117 N 1.21 0.79 -0.86 1.25 0.00 -0.84 -0.83 119.26 119.98 2vvr h ALA 117 Ca 0.23 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2vvr h ALA 117 Cb -0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2vvr h ALA 117 CO -0.05 -0.07 0.46 0.87 0.00 0.00 0.00 179.25 180.46 2vvr h LYS 118 N 0.55 1.22 -0.74 0.00 1.57 -0.75 -0.42 116.57 117.99 2vvr h LYS 118 Ca 0.28 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2vvr h LYS 118 Cb 0.23 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2vvr h LYS 118 CO -0.21 0.90 0.29 1.98 -0.57 0.00 0.00 179.45 181.85 2vvr h MET 119 N 1.22 1.10 -0.15 3.15 4.05 -0.83 -0.04 114.93 123.43 2vvr h MET 119 Ca 0.30 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2vvr h MET 119 Cb 0.06 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 2vvr h MET 119 CO -0.05 0.90 0.03 0.82 0.23 0.00 0.00 176.91 178.84 2vvr h ILE 120 N 1.08 1.20 -0.41 1.77 2.04 -0.65 -1.55 117.51 121.00 2vvr h ILE 120 Ca 0.25 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2vvr h ILE 120 Cb 0.21 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2vvr h ILE 120 CO -0.02 0.19 0.09 0.58 0.00 0.00 0.00 178.15 179.00 2vvr h VAL 121 N 0.04 0.80 -0.75 1.67 2.07 -0.85 -1.30 116.25 117.94 2vvr h VAL 121 Ca 0.05 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2vvr h VAL 121 Cb 0.27 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2vvr h VAL 121 CO 0.00 0.04 0.48 0.44 0.02 0.00 0.00 177.57 178.56 2vvr h ASP 122 N 0.23 0.81 -0.40 0.57 3.32 -0.85 0.05 116.42 120.15 2vvr h ASP 122 Ca 0.20 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2vvr h ASP 122 Cb 0.23 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2vvr h ASP 122 CO -0.25 0.57 -0.04 0.00 -1.72 0.00 0.00 179.24 177.80 2vvr h ALA 123 N 1.30 0.54 -0.36 3.45 0.00 -0.92 -0.04 119.26 123.24 2vvr h ALA 123 Ca 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2vvr h ALA 123 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2vvr h ALA 123 CO -0.09 0.36 0.01 2.35 0.00 0.00 0.00 179.25 181.88 2vvr h TRP 124 N 0.55 0.68 -0.18 0.00 7.01 -1.00 -2.90 115.95 120.12 2vvr h TRP 124 Ca 0.11 -0.11 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 2vvr h TRP 124 Cb 0.54 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2vvr h TRP 124 CO 0.04 0.72 -0.35 -0.07 -2.79 0.00 0.00 178.44 176.00 2vvr h LEU 125 N 0.44 0.39 0.00 0.65 3.38 -0.88 -3.23 115.31 116.06 2vvr h LEU 125 Ca 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2vvr h LEU 125 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2vvr h LEU 125 CO 0.02 0.71 -0.10 0.61 0.09 0.00 0.00 178.44 179.77 2vvr n GLY 126 N -0.25 -1.45 3.83 0.83 0.00 -0.04 -4.77 105.19 103.35 2vvr n GLY 126 Ca -0.01 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.00 3.69 -0.08 4.61 0.00 -1.10 -5.07 121.76 120.81 2vvr s ALA 127 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 2vvr s ALA 127 Cb 0.19 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2vvr s ALA 127 CO 0.56 0.48 0.05 -0.65 0.00 0.00 0.00 175.76 176.20 2vvr s GLN 128 N -1.07 3.11 0.14 0.00 -0.21 -1.26 -4.83 119.66 115.54 2vvr s GLN 128 Ca 0.24 -0.35 -0.31 0.00 0.02 0.00 0.00 55.36 54.96 2vvr s GLN 128 Cb -0.17 -2.91 -0.08 0.00 1.00 0.00 0.00 33.01 30.86 2vvr s GLN 128 CO 0.14 0.71 1.31 -0.47 -2.12 0.00 0.00 175.29 174.86 2vvr s TYR 129 N -0.98 3.30 -0.49 0.91 5.04 -1.25 -3.81 117.35 120.09 2vvr s TYR 129 Ca 0.15 1.14 0.23 0.00 -2.44 0.00 0.00 57.07 56.16 2vvr s TYR 129 Cb -0.12 -3.58 0.02 0.00 0.35 0.00 0.00 41.96 38.63 2vvr s TYR 129 CO 0.05 -1.91 1.00 0.39 -1.34 0.00 0.00 175.55 173.74 2vvr n GLU 130 N 3.42 0.38 0.00 4.97 1.02 -0.49 -4.98 120.64 124.96 2vvr n GLU 130 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2vvr n GLU 130 Cb 0.43 -1.64 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 1.32 2.82 7.00 0.62 0.00 -1.26 -4.93 105.19 110.76 2vvr n GLY 131 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 2.46 0.33 -0.02 0.00 -1.26 -2.40 105.19 104.30 2vvr n GLY 132 Ca 0.00 -0.38 0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.01 -2.71 114.38 111.38 2vvr h ARG 133 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 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 -0.58 0.45 0.10 0.00 0.00 179.97 179.95 2vvr h HIS 134 N 0.00 0.00 -0.67 4.08 3.86 -1.79 -3.28 115.15 117.35 2vvr h HIS 134 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2vvr h HIS 134 Cb 0.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 2vvr h HIS 134 CO 0.00 0.58 0.28 0.37 0.86 0.00 0.00 177.93 180.02 2vvr h GLN 135 N 0.00 0.98 -0.81 2.45 5.75 -1.63 -1.04 115.11 120.81 2vvr h GLN 135 Ca -0.01 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2vvr h GLN 135 Cb 1.03 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 2vvr h GLN 135 CO 0.07 0.79 0.53 1.96 -2.65 0.00 0.00 178.83 179.54 2vvr h GLN 136 N 0.97 1.02 -0.04 1.69 4.20 -1.76 0.25 115.11 121.43 2vvr h GLN 136 Ca 0.23 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2vvr h GLN 136 Cb 0.16 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2vvr h GLN 136 CO -0.02 0.67 -0.09 0.00 -0.67 0.00 0.00 178.83 178.72 2vvr h ARG 137 N 1.05 0.14 -0.97 1.46 3.08 -1.42 -1.84 114.38 115.87 2vvr h ARG 137 Ca 0.31 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.35 2vvr h ARG 137 Cb -0.04 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 2vvr h ARG 137 CO -0.08 0.67 0.61 0.28 -1.07 0.00 0.00 179.97 180.38 2vvr h VAL 138 N -0.38 1.03 -0.32 2.04 2.07 -1.05 -2.05 116.25 117.59 2vvr h VAL 138 Ca 0.00 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2vvr h VAL 138 Cb 0.66 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2vvr h VAL 138 CO 0.02 0.20 -0.02 -0.33 0.02 0.00 0.00 177.57 177.45 2vvr h GLU 139 N 1.08 0.51 -0.05 1.57 5.08 -0.40 -1.69 114.58 120.67 2vvr h GLU 139 Ca 0.43 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2vvr h GLU 139 Cb 0.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2vvr h GLU 139 CO -0.20 0.55 -0.37 0.00 -1.00 0.00 0.00 179.01 177.99 2vvr h ALA 140 N 1.50 1.28 -0.14 3.43 0.00 -0.66 -0.31 119.26 124.35 2vvr h ALA 140 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2vvr h ALA 140 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2vvr h ALA 140 CO 0.01 0.51 0.04 0.82 0.00 0.00 0.00 179.25 180.63 2vvr h ILE 141 N 0.10 1.19 -0.73 0.00 2.04 -0.77 -2.82 117.51 116.52 2vvr h ILE 141 Ca 0.01 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.28 2vvr h ILE 141 Cb 0.71 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2vvr h ILE 141 CO 0.05 0.18 0.48 0.74 0.00 0.00 0.00 178.15 179.61 2vvr h THR 142 N 0.03 1.17 -0.54 -0.27 2.02 -1.29 -2.15 112.91 111.89 2vvr h THR 142 Ca 0.04 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.90 2vvr h THR 142 Cb 0.25 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2vvr h THR 142 CO -0.00 0.18 0.36 0.00 0.37 0.00 0.00 175.52 176.42 2vvr h ALA 143 N 1.55 1.63 -0.57 6.16 0.00 -0.87 -2.17 119.26 124.99 2vvr h ALA 143 Ca 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2vvr h ALA 143 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2vvr h ALA 143 CO -0.06 0.33 0.18 0.82 0.00 0.00 0.00 179.25 180.52 2vvr h ILE 144 N 0.71 1.24 -0.48 0.00 2.04 -1.14 -1.58 117.51 118.30 2vvr h ILE 144 Ca 0.20 -0.81 0.11 0.00 1.00 0.00 0.00 64.86 65.35 2vvr h ILE 144 Cb -0.06 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2vvr h ILE 144 CO -0.05 0.31 0.33 -0.33 0.00 0.00 0.00 178.15 178.41 2vvr h GLU 145 N 0.80 0.17 0.00 2.37 5.08 -1.34 -3.45 114.58 118.21 2vvr h GLU 145 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2vvr h GLU 145 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2vvr h GLU 145 CO -0.01 0.11 0.00 1.04 -1.00 0.00 0.00 179.01 179.16 2vvr n GLN 146 N -4.44 0.00 0.00 2.33 1.13 -0.64 -5.08 117.38 110.67 2vvr n GLN 146 Ca 0.08 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.16 2vvr n GLN 146 Cb 0.43 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.80 2vvr n GLN 146 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16