#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 -4.34 0.03 4.76 -1.26 -4.85 118.16 113.16 2vvr n LYS 2 Ca 0.00 0.18 -0.18 0.00 -2.87 0.00 0.00 58.31 55.44 2vvr n LYS 2 Cb 0.00 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.36 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 -2.55 0.72 -0.03 1.97 -2.85 -1.26 -1.03 119.74 114.70 2vvr s LYS 3 Ca -0.07 -0.38 0.02 0.00 -1.00 0.00 0.00 55.97 54.53 2vvr s LYS 3 Cb 0.07 -0.69 0.01 0.00 -2.06 0.00 0.00 37.83 35.16 2vvr s LYS 3 CO 0.82 0.18 -0.07 0.42 0.10 0.00 0.00 175.35 176.81 2vvr s ILE 4 N -0.34 0.68 -0.15 3.79 -1.09 -0.17 -0.48 121.20 123.43 2vvr s ILE 4 Ca 0.02 -0.26 -0.22 0.00 -2.23 0.00 0.00 60.65 57.96 2vvr s ILE 4 Cb -0.04 -0.63 -0.03 0.00 -1.58 0.00 0.00 42.46 40.17 2vvr s ILE 4 CO -0.00 0.23 0.65 0.00 -1.23 0.00 0.00 174.94 174.59 2vvr s ALA 5 N 0.47 3.48 -0.10 9.38 0.00 -0.45 -0.47 121.76 134.07 2vvr s ALA 5 Ca -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 2vvr s ALA 5 Cb -0.11 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2vvr s ALA 5 CO 0.01 -0.37 0.01 0.12 0.00 0.00 0.00 175.76 175.52 2vvr s PHE 6 N 1.47 3.18 -0.00 0.00 2.19 -0.20 -1.05 117.98 123.56 2vvr s PHE 6 Ca 0.31 0.17 -0.11 0.00 0.33 0.00 0.00 56.93 57.64 2vvr s PHE 6 Cb -0.16 -1.82 0.01 0.00 -1.31 0.00 0.00 43.02 39.73 2vvr s PHE 6 CO 0.12 0.43 0.21 0.20 1.83 0.00 0.00 175.22 178.02 2vvr s GLY 7 N -0.73 -0.04 0.11 13.12 0.00 -0.39 -0.40 107.32 119.00 2vvr s GLY 7 Ca 0.11 0.06 -0.21 0.00 0.00 0.00 0.00 44.72 44.69 2vvr s GLY 7 CO 0.02 -0.11 0.52 0.00 0.00 0.00 0.00 173.10 173.53 2vvr n ASP 9 N -0.07 0.03 0.11 0.00 3.85 -1.13 -0.79 116.55 118.55 2vvr n ASP 9 Ca -0.17 -1.03 0.03 0.00 -0.71 0.00 0.00 54.79 52.91 2vvr n ASP 9 Cb 0.63 -0.02 0.41 0.00 -1.35 0.00 0.00 41.12 40.80 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 0.27 0.13 2.11 2.07 -1.80 -0.15 115.15 117.38 2vvr h HIS 10 Ca -0.01 -0.02 -0.22 0.00 -2.85 0.00 0.00 60.37 57.27 2vvr h HIS 10 Cb 0.03 -0.08 0.01 0.00 2.57 0.00 0.00 27.41 29.94 2vvr h HIS 10 CO 0.00 0.34 -1.04 0.28 -3.07 0.00 0.00 177.93 174.43 2vvr h VAL 11 N 0.26 1.34 -0.25 6.12 2.07 -1.91 -3.26 116.25 120.62 2vvr h VAL 11 Ca 0.06 -2.49 0.07 0.00 0.82 0.00 0.00 66.70 65.15 2vvr h VAL 11 Cb 0.28 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 2vvr h VAL 11 CO 0.01 0.71 0.17 1.23 0.02 0.00 0.00 177.57 179.72 2vvr h GLY 12 N -0.22 0.04 0.68 2.17 0.00 -1.68 -2.90 103.07 101.15 2vvr h GLY 12 Ca -0.20 -0.01 0.18 0.00 0.00 0.00 0.00 47.33 47.30 2vvr h GLY 12 CO 0.12 0.01 0.48 -2.75 0.00 0.00 0.00 176.54 174.40 2vvr h PHE 13 N 0.03 0.00 -0.13 5.60 3.04 -1.06 -1.63 116.94 122.78 2vvr h PHE 13 Ca 0.12 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.10 2vvr h PHE 13 Cb 0.42 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 2vvr h PHE 13 CO -0.00 0.00 0.17 -0.84 -2.02 0.00 0.00 178.31 175.62 2vvr h ILE 14 N 0.00 0.40 -0.00 1.41 3.07 -1.68 -1.17 117.51 119.53 2vvr h ILE 14 Ca 0.30 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.71 2vvr h ILE 14 Cb 1.26 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 2vvr h ILE 14 CO -0.00 0.00 -0.89 0.18 -1.05 0.00 0.00 178.15 176.39 2vvr n LEU 15 N -3.67 1.17 0.07 0.16 4.77 -0.62 -4.76 117.00 114.13 2vvr n LEU 15 Ca 0.00 -0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 55.30 2vvr n LEU 15 Cb 0.28 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2vvr n LEU 15 CO 0.26 0.27 0.52 0.50 -1.33 0.00 0.00 177.39 177.60 2vvr h LYS 16 N 0.44 -0.66 -0.76 3.23 3.64 -1.25 -0.76 116.57 120.45 2vvr h LYS 16 Ca 0.00 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2vvr h LYS 16 Cb 0.55 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2vvr h LYS 16 CO 0.00 -0.44 0.29 0.45 -2.27 0.00 0.00 179.45 177.48 2vvr h HIS 17 N -0.69 1.17 -0.28 1.91 3.86 -1.86 0.87 115.15 120.13 2vvr h HIS 17 Ca 0.01 -0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 2vvr h HIS 17 Cb 0.73 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2vvr h HIS 17 CO -0.50 0.89 -0.42 0.93 0.86 0.00 0.00 177.93 179.69 2vvr h GLU 18 N 1.12 0.78 -0.25 2.45 4.39 -1.86 -1.64 114.58 119.56 2vvr h GLU 18 Ca 0.25 -0.47 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 2vvr h GLU 18 Cb 0.23 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2vvr h GLU 18 CO -0.02 1.10 -0.00 0.82 -1.16 0.00 0.00 179.01 179.74 2vvr h ILE 19 N 0.54 1.26 -0.37 3.13 1.08 -0.81 -1.84 117.51 120.49 2vvr h ILE 19 Ca 0.03 -0.92 0.06 0.00 -0.39 0.00 0.00 64.86 63.64 2vvr h ILE 19 Cb 1.02 1.36 -0.06 0.00 -3.07 0.00 0.00 36.82 36.07 2vvr h ILE 19 CO 0.10 0.29 0.02 0.58 -0.69 0.00 0.00 178.15 178.45 2vvr h VAL 20 N 0.22 0.75 -0.89 1.67 2.07 -0.84 -0.79 116.25 118.44 2vvr h VAL 20 Ca 0.07 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2vvr h VAL 20 Cb 0.42 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2vvr h VAL 20 CO 0.01 0.02 0.56 0.00 0.02 0.00 0.00 177.57 178.18 2vvr h ALA 21 N 1.31 1.21 -0.77 1.67 0.00 -1.25 -1.20 119.26 120.24 2vvr h ALA 21 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2vvr h ALA 21 Cb 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2vvr h ALA 21 CO -0.28 0.33 0.40 1.25 0.00 0.00 0.00 179.25 180.94 2vvr h HIS 22 N 1.03 1.08 -0.09 0.00 6.17 -0.73 0.13 115.15 122.73 2vvr h HIS 22 Ca 0.38 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.42 2vvr h HIS 22 Cb 0.14 -0.34 -0.00 0.00 2.52 0.00 0.00 27.41 29.73 2vvr h HIS 22 CO -0.02 0.78 0.05 -0.07 0.71 0.00 0.00 177.93 179.37 2vvr h LEU 23 N 1.07 0.12 -0.41 0.26 3.38 -0.55 -0.08 115.31 119.10 2vvr h LEU 23 Ca 0.27 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2vvr h LEU 23 Cb 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2vvr h LEU 23 CO -0.04 0.19 0.22 0.58 0.09 0.00 0.00 178.44 179.49 2vvr h VAL 24 N 0.04 1.00 -0.98 1.22 2.07 -1.05 -1.23 116.25 117.32 2vvr h VAL 24 Ca 0.03 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.54 2vvr h VAL 24 Cb 0.10 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.30 2vvr h VAL 24 CO -0.00 0.08 0.62 -0.08 0.02 0.00 0.00 177.57 178.21 2vvr h GLU 25 N 0.45 0.87 0.00 1.57 4.81 -0.52 0.80 114.58 122.56 2vvr h GLU 25 Ca 0.17 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2vvr h GLU 25 Cb 0.05 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2vvr h GLU 25 CO -0.10 0.57 0.00 0.54 -0.73 0.00 0.00 179.01 179.29 2vvr n ARG 26 N -4.63 0.45 -0.56 1.92 5.12 -0.06 -4.90 116.66 114.00 2vvr n ARG 26 Ca 0.19 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2vvr n ARG 26 Cb 0.42 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 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 0.98 0.85 3.88 -0.13 0.00 0.28 -5.07 105.19 105.97 2vvr n GLY 27 Ca 0.14 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 5.46 -0.20 1.61 -7.23 -0.62 -4.94 120.40 112.47 2vvr s VAL 28 Ca 0.00 0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 60.14 2vvr s VAL 28 Cb 0.00 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.50 2vvr s VAL 28 CO 0.00 0.60 1.00 -0.70 -0.31 0.00 0.00 175.10 175.69 2vvr s GLU 29 N -1.09 4.28 -0.24 4.82 2.12 -0.20 -3.96 118.70 124.44 2vvr s GLU 29 Ca 0.17 1.30 -0.12 0.00 0.36 0.00 0.00 54.97 56.68 2vvr s GLU 29 Cb -0.12 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2vvr s GLU 29 CO 0.06 -0.54 0.21 0.08 -0.54 0.00 0.00 175.26 174.53 2vvr s VAL 30 N 2.88 5.32 -0.38 3.70 1.01 -1.26 -1.00 120.40 130.66 2vvr s VAL 30 Ca 0.43 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.56 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 0.09 0.31 0.26 -0.63 0.00 0.00 0.00 175.10 175.13 2vvr s ILE 31 N 1.22 5.15 -0.29 2.22 -1.09 0.38 -4.97 121.20 123.82 2vvr s ILE 31 Ca 0.10 -0.55 -0.23 0.00 -2.23 0.00 0.00 60.65 57.74 2vvr s ILE 31 Cb -0.14 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2vvr s ILE 31 CO 0.06 -0.20 0.76 -0.62 -1.23 0.00 0.00 174.94 173.71 2vvr s ASP 32 N 1.67 6.66 0.00 3.58 3.68 -1.26 -1.03 116.67 129.97 2vvr s ASP 32 Ca 0.05 0.71 0.23 0.00 2.13 0.00 0.00 52.55 55.67 2vvr s ASP 32 Cb -0.18 -2.39 0.38 0.00 -1.45 0.00 0.00 42.92 39.27 2vvr s ASP 32 CO 0.10 -0.55 1.37 0.29 0.13 0.00 0.00 175.17 176.50 2vvr n LYS 33 N 6.07 2.47 0.00 4.34 4.76 0.47 -4.95 118.16 131.31 2vvr n LYS 33 Ca 0.03 -2.22 0.00 0.00 -2.87 0.00 0.00 58.31 53.25 2vvr n LYS 33 Cb 0.48 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 1.47 -0.54 3.84 0.72 0.00 -1.25 -4.88 105.19 104.55 2vvr n GLY 34 Ca 0.18 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.19 2.61 5.66 0.03 -0.53 114.28 121.29 2vvr n THR 35 Ca 0.00 -1.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 2vvr n THR 35 Cb 0.00 -1.49 0.00 0.00 -1.55 0.00 0.00 70.33 67.29 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 -3.80 0.00 -3.92 1.09 8.01 -1.26 -4.86 117.44 112.70 2vvr n TRP 36 Ca 0.17 -0.20 -0.10 0.00 -1.31 0.00 0.00 57.50 56.06 2vvr n TRP 36 Cb 0.58 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.31 29.85 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 -0.39 0.22 0.00 -0.99 1.04 -1.26 -5.03 113.70 107.28 2vvr s SER 37 Ca 0.00 -1.15 0.07 0.00 0.48 0.00 0.00 55.95 55.35 2vvr s SER 37 Cb 0.00 0.75 0.24 0.00 0.10 0.00 0.00 66.02 67.11 2vvr s SER 37 CO 0.00 -1.47 1.19 -1.54 0.98 0.00 0.00 173.24 172.39 2vvr n SER 38 N -1.17 0.95 -4.73 7.02 3.41 -1.26 -4.55 113.62 113.28 2vvr n SER 38 Ca -0.04 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.20 2vvr n SER 38 Cb 0.60 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 4.41 0.11 4.33 2.12 -1.26 -4.86 118.70 121.77 2vvr s GLU 39 Ca 0.14 2.00 -0.36 0.00 0.36 0.00 0.00 54.97 57.11 2vvr s GLU 39 Cb 0.07 -3.22 -0.17 0.00 0.26 0.00 0.00 34.13 31.08 2vvr s GLU 39 CO 0.10 -0.23 1.27 -2.13 -0.54 0.00 0.00 175.26 173.72 2vvr n ARG 40 N 2.82 1.08 -3.78 4.30 0.63 -1.26 -4.55 116.66 115.89 2vvr n ARG 40 Ca 0.06 0.39 -0.09 0.00 -0.92 0.00 0.00 57.85 57.29 2vvr n ARG 40 Cb 0.43 -1.98 -0.04 0.00 0.45 0.00 0.00 32.46 31.33 2vvr n ARG 40 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2vvr s THR 41 N 0.26 0.02 -0.25 5.15 -1.32 -1.26 -5.01 115.64 113.23 2vvr s THR 41 Ca 0.82 -0.88 -0.12 0.00 -1.21 0.00 0.00 61.69 60.30 2vvr s THR 41 Cb -0.94 -1.70 -0.05 0.00 -1.51 0.00 0.00 72.50 68.30 2vvr s THR 41 CO 0.49 -0.09 0.23 -1.81 -2.21 0.00 0.00 174.62 171.23 2vvr s ASP 42 N -2.90 6.16 0.41 8.08 1.01 -1.26 -4.64 116.67 123.54 2vvr s ASP 42 Ca 0.11 0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.61 2vvr s ASP 42 Cb -0.02 -2.14 0.86 0.00 1.01 0.00 0.00 42.92 42.64 2vvr s ASP 42 CO -0.00 -0.01 2.06 0.10 0.21 0.00 0.00 175.17 177.52 2vvr h TYR 43 N 7.77 0.51 -0.89 4.23 -0.00 -1.99 -3.12 116.97 123.47 2vvr h TYR 43 Ca -0.36 0.01 0.04 0.00 0.00 0.00 0.00 58.73 58.42 2vvr h TYR 43 Cb 1.17 -0.17 -0.05 0.00 0.00 0.00 0.00 36.73 37.68 2vvr h TYR 43 CO 0.70 0.32 0.59 -1.35 -0.00 0.00 0.00 178.16 178.42 2vvr h PRO 44 N 0.55 1.06 -0.91 0.10 0.11 -1.94 -2.23 132.00 128.74 2vvr h PRO 44 Ca 0.15 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.32 2vvr h PRO 44 Cb -0.05 -0.24 -0.09 0.00 0.11 0.00 0.00 31.00 30.73 2vvr h PRO 44 CO -0.03 0.70 0.53 1.25 -0.21 0.00 0.00 178.00 180.24 2vvr h HIS 45 N 1.09 0.96 0.08 0.65 -0.00 -1.99 -1.40 115.15 114.54 2vvr h HIS 45 Ca 0.36 0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.52 2vvr h HIS 45 Cb 0.07 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.19 2vvr h HIS 45 CO -0.00 0.34 -1.12 1.88 -0.00 0.00 0.00 177.93 179.03 2vvr h TYR 46 N 0.82 0.47 -0.39 5.26 -1.99 -1.58 -2.19 116.97 117.38 2vvr h TYR 46 Ca 0.47 -0.31 0.08 0.00 2.00 0.00 0.00 58.73 60.96 2vvr h TYR 46 Cb 0.53 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.16 2vvr h TYR 46 CO -0.04 1.20 -0.04 0.00 -0.00 0.00 0.00 178.16 179.28 2vvr h ALA 47 N 0.68 0.32 -0.13 3.88 0.00 -1.26 -2.03 119.26 120.74 2vvr h ALA 47 Ca -0.10 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2vvr h ALA 47 Cb 1.81 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2vvr h ALA 47 CO 0.18 -0.42 0.05 0.77 0.00 0.00 0.00 179.25 179.83 2vvr h SER 48 N 0.06 0.06 -0.32 0.00 0.02 -1.12 0.25 113.55 112.50 2vvr h SER 48 Ca 0.19 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2vvr h SER 48 Cb 0.28 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 2vvr h SER 48 CO -0.36 0.06 0.03 1.56 -1.14 0.00 0.00 176.83 176.98 2vvr h GLN 49 N 0.11 0.13 -0.19 3.45 1.08 -1.20 0.34 115.11 118.83 2vvr h GLN 49 Ca 0.05 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2vvr h GLN 49 Cb 0.02 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2vvr h GLN 49 CO -0.05 0.09 -0.12 0.28 -0.95 0.00 0.00 178.83 178.08 2vvr h VAL 50 N 0.14 1.32 -0.37 -0.54 2.07 -1.29 -2.71 116.25 114.87 2vvr h VAL 50 Ca 0.15 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.49 2vvr h VAL 50 Cb 0.19 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2vvr h VAL 50 CO -0.23 0.36 0.18 0.00 0.02 0.00 0.00 177.57 177.91 2vvr h ALA 51 N 0.67 0.45 -0.67 1.67 0.00 -0.13 -1.15 119.26 120.11 2vvr h ALA 51 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2vvr h ALA 51 Cb 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2vvr h ALA 51 CO 0.03 -0.18 0.41 -0.07 0.00 0.00 0.00 179.25 179.44 2vvr h LEU 52 N 0.38 0.68 -0.55 0.00 3.38 -0.38 -0.98 115.31 117.84 2vvr h LEU 52 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2vvr h LEU 52 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2vvr h LEU 52 CO -0.11 0.47 0.23 0.00 0.09 0.00 0.00 178.44 179.12 2vvr h ALA 53 N 1.29 0.71 -0.03 1.53 0.00 -1.10 0.23 119.26 121.88 2vvr h ALA 53 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2vvr h ALA 53 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2vvr h ALA 53 CO -0.11 0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.72 2vvr h VAL 54 N 0.74 1.32 -0.65 0.00 2.07 -1.01 -2.21 116.25 116.51 2vvr h VAL 54 Ca 0.18 -0.97 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 2vvr h VAL 54 Cb 0.17 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2vvr h VAL 54 CO -0.02 0.26 0.07 0.00 0.02 0.00 0.00 177.57 177.90 2vvr h ALA 55 N 0.62 0.88 0.00 1.67 0.00 -1.15 -2.39 119.26 118.89 2vvr h ALA 55 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2vvr h ALA 55 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2vvr h ALA 55 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2vvr n GLY 56 N -0.52 -0.76 2.32 0.00 0.00 0.06 -4.91 105.19 101.38 2vvr n GLY 56 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.38 0.56 0.00 -0.02 0.00 -0.90 -4.86 105.19 100.35 2vvr n GLY 57 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.49 0.22 -3.78 1.61 0.28 -0.86 -4.82 120.64 110.80 2vvr n GLU 58 Ca 0.00 0.06 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 2vvr n GLU 58 Cb 0.04 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.34 2vvr n GLU 58 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2vvr s VAL 59 N -2.74 0.11 0.01 3.84 1.01 -1.18 -5.02 120.40 116.43 2vvr s VAL 59 Ca 0.19 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2vvr s VAL 59 Cb 0.17 -1.21 -0.24 0.00 0.00 0.00 0.00 36.38 35.10 2vvr s VAL 59 CO 0.42 -0.51 0.86 0.44 0.00 0.00 0.00 175.10 176.31 2vvr h ASP 60 N 2.74 0.12 -5.01 3.32 3.32 -1.10 -3.42 116.42 116.39 2vvr h ASP 60 Ca -0.34 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 2vvr h ASP 60 Cb 1.21 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2vvr h ASP 60 CO 0.52 1.16 0.28 -0.83 -1.72 0.00 0.00 179.24 178.65 2vvr s GLY 61 N -4.99 0.33 0.04 2.75 0.00 -1.17 -4.91 107.32 99.38 2vvr s GLY 61 Ca -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 43.99 2vvr s GLY 61 CO 0.83 -0.22 -0.10 -0.32 0.00 0.00 0.00 173.10 173.29 2vvr s GLY 62 N -3.07 0.59 -0.08 0.20 0.00 0.06 -1.34 107.32 103.68 2vvr s GLY 62 Ca 0.15 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2vvr s GLY 62 CO 0.11 -0.76 -0.10 -0.42 0.00 0.00 0.00 173.10 171.93 2vvr s ILE 63 N -1.08 1.02 -0.04 0.90 1.01 -0.22 -1.49 121.20 121.31 2vvr s ILE 63 Ca -0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2vvr s ILE 63 Cb -0.08 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 2vvr s ILE 63 CO 0.01 0.34 -0.18 -0.76 0.00 0.00 0.00 174.94 174.35 2vvr s LEU 64 N 1.01 1.94 -0.07 2.97 1.43 -0.52 -1.26 118.68 124.17 2vvr s LEU 64 Ca -0.08 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2vvr s LEU 64 Cb -0.15 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.12 2vvr s LEU 64 CO -0.00 0.17 -0.11 -0.63 0.23 0.00 0.00 176.35 176.01 2vvr s ILE 65 N -0.05 1.07 0.00 -0.59 1.01 -0.70 -2.53 121.20 119.41 2vvr s ILE 65 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2vvr s ILE 65 Cb -0.11 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.36 2vvr s ILE 65 CO 0.02 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.31 2vvr h GLY 67 N 0.00 0.74 0.00 0.00 0.00 -1.86 0.12 103.07 102.07 2vvr h GLY 67 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2vvr h GLY 67 CO 0.00 0.20 -1.05 -1.30 0.00 0.00 0.00 176.54 174.39 2vvr n THR 68 N -4.79 0.00 -0.57 4.70 -2.24 -1.26 -0.71 114.28 109.40 2vvr n THR 68 Ca 0.04 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2vvr n THR 68 Cb 0.08 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 2.13 1.71 0.07 3.38 0.00 -1.18 -2.63 105.19 108.67 2vvr n GLY 69 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.47 -0.46 1.61 2.07 -1.94 -2.46 116.25 115.54 2vvr h VAL 70 Ca 0.00 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.26 2vvr h VAL 70 Cb 0.00 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2vvr h VAL 70 CO 0.00 0.16 0.18 1.23 0.02 0.00 0.00 177.57 179.16 2vvr h GLY 71 N -1.00 0.61 1.24 2.17 0.00 -1.99 0.16 103.07 104.26 2vvr h GLY 71 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2vvr h GLY 71 CO 0.01 0.04 0.25 1.19 0.00 0.00 0.00 176.54 178.03 2vvr h ILE 72 N 0.37 1.23 -0.01 2.60 2.10 -1.91 -1.73 117.51 120.17 2vvr h ILE 72 Ca 0.21 -0.74 -0.17 0.00 1.08 0.00 0.00 64.86 65.24 2vvr h ILE 72 Cb 0.19 0.46 -0.02 0.00 -1.09 0.00 0.00 36.82 36.36 2vvr h ILE 72 CO -0.20 0.30 -0.77 0.77 -1.08 0.00 0.00 178.15 177.17 2vvr h SER 73 N 0.95 0.09 -0.29 2.19 4.64 -0.91 -2.43 113.55 117.78 2vvr h SER 73 Ca 0.22 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2vvr h SER 73 Cb 0.20 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2vvr h SER 73 CO -0.02 0.82 0.16 0.40 -0.87 0.00 0.00 176.83 177.33 2vvr h ILE 74 N 0.04 1.13 -0.15 0.95 2.04 -0.30 -1.59 117.51 119.62 2vvr h ILE 74 Ca -0.02 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2vvr h ILE 74 Cb 1.35 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2vvr h ILE 74 CO 0.11 0.13 0.02 0.00 0.00 0.00 0.00 178.15 178.40 2vvr h ALA 75 N 1.04 0.14 -0.73 1.87 0.00 -1.32 -2.62 119.26 117.64 2vvr h ALA 75 Ca 0.10 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2vvr h ALA 75 Cb 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2vvr h ALA 75 CO -0.02 -0.42 0.45 0.00 0.00 0.00 0.00 179.25 179.26 2vvr h ALA 76 N 1.11 0.96 0.00 0.00 0.00 -1.34 -2.31 119.26 117.67 2vvr h ALA 76 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2vvr h ALA 76 Cb 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2vvr h ALA 76 CO -0.10 0.21 -0.03 -0.91 0.00 0.00 0.00 179.25 178.43 2vvr h ASN 77 N 0.87 0.00 0.53 0.00 -0.26 -0.97 -2.28 115.58 113.47 2vvr h ASN 77 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2vvr h ASN 77 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2vvr h ASN 77 CO -0.13 0.03 0.00 0.11 -1.06 0.00 0.00 177.43 176.38 2vvr h LYS 78 N 0.00 0.00 -6.42 0.81 1.79 -1.06 -3.44 116.57 108.25 2vvr h LYS 78 Ca -0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2vvr h LYS 78 Cb 0.35 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 2vvr h LYS 78 CO 0.00 0.00 0.03 -0.06 -1.08 0.00 0.00 179.45 178.34 2vvr s PHE 79 N -3.42 3.70 0.29 -1.35 0.40 -0.86 -5.06 117.98 111.69 2vvr s PHE 79 Ca 0.02 1.30 -0.29 0.00 -0.60 0.00 0.00 56.93 57.36 2vvr s PHE 79 Cb 0.08 -2.54 -0.10 0.00 0.51 0.00 0.00 43.02 40.98 2vvr s PHE 79 CO 0.35 0.44 1.23 0.00 0.70 0.00 0.00 175.22 177.93 2vvr s ALA 80 N -1.38 3.47 0.00 5.36 0.00 -1.26 -2.72 121.76 125.23 2vvr s ALA 80 Ca 0.38 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2vvr s ALA 80 Cb -0.17 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2vvr s ALA 80 CO 0.21 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2vvr n GLY 81 N 1.18 1.81 3.80 0.00 0.00 -1.26 -4.85 105.19 105.88 2vvr n GLY 81 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.22 5.23 -0.31 -0.61 -1.09 -1.10 -4.87 121.20 115.23 2vvr s ILE 82 Ca 0.00 0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 59.03 2vvr s ILE 82 Cb 0.00 -3.62 0.10 0.00 -1.58 0.00 0.00 42.46 37.36 2vvr s ILE 82 CO 0.00 0.51 0.10 -0.13 -1.23 0.00 0.00 174.94 174.19 2vvr s ARG 83 N -0.48 0.71 -0.18 2.79 0.52 -1.26 -4.81 118.95 116.24 2vvr s ARG 83 Ca 0.20 -1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 54.25 2vvr s ARG 83 Cb -0.14 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 2vvr s ARG 83 CO 0.08 -0.99 0.07 0.00 0.02 0.00 0.00 175.30 174.48 2vvr s ALA 84 N 1.61 3.44 -0.19 2.13 0.00 -1.26 -1.28 121.76 126.21 2vvr s ALA 84 Ca 0.10 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 2vvr s ALA 84 Cb -0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 2vvr s ALA 84 CO -0.25 0.21 0.07 0.54 0.00 0.00 0.00 175.76 176.32 2vvr s VAL 85 N 0.28 4.79 -0.10 0.00 0.11 -0.14 -4.97 120.40 120.38 2vvr s VAL 85 Ca 0.04 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2vvr s VAL 85 Cb -0.12 -3.17 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 2vvr s VAL 85 CO 0.00 0.45 -0.01 0.54 -3.33 0.00 0.00 175.10 172.75 2vvr s VAL 86 N 0.45 4.19 0.25 2.04 0.11 -1.26 -0.45 120.40 125.73 2vvr s VAL 86 Ca 0.03 -0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 58.58 2vvr s VAL 86 Cb -0.12 -2.77 0.03 0.00 -1.53 0.00 0.00 36.38 31.98 2vvr s VAL 86 CO 0.00 0.58 0.76 0.00 -3.33 0.00 0.00 175.10 173.12 2vvr n SER 88 N -0.46 1.44 -3.75 0.00 3.41 -1.26 -4.57 113.62 108.42 2vvr n SER 88 Ca -0.05 -2.23 -0.11 0.00 -0.26 0.00 0.00 58.87 56.23 2vvr n SER 88 Cb 0.59 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.33 0.88 0.46 4.33 4.04 -1.26 -4.98 118.70 120.84 2vvr s GLU 89 Ca 0.11 -0.67 0.25 0.00 0.04 0.00 0.00 54.97 54.70 2vvr s GLU 89 Cb 0.10 0.38 0.54 0.00 0.02 0.00 0.00 34.13 35.16 2vvr s GLU 89 CO 0.01 -0.30 1.68 -1.00 -1.84 0.00 0.00 175.26 173.81 2vvr h PRO 90 N 2.89 0.00 0.21 -4.83 0.14 -1.91 -3.33 132.00 125.17 2vvr h PRO 90 Ca -0.33 0.00 -0.01 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 32.35 2vvr h PRO 90 CO 0.49 0.02 -0.12 -0.92 0.14 0.00 0.00 178.00 177.61 2vvr h TYR 91 N 0.00 -0.32 -0.83 1.56 3.20 -1.97 -0.89 116.97 117.73 2vvr h TYR 91 Ca -0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 2vvr h TYR 91 Cb 0.92 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 39.22 2vvr h TYR 91 CO 0.00 -0.20 0.47 0.77 -1.64 0.00 0.00 178.16 177.56 2vvr h SER 92 N -0.32 0.66 0.30 -2.11 0.02 -2.00 0.08 113.55 110.18 2vvr h SER 92 Ca -0.02 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2vvr h SER 92 Cb 0.26 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2vvr h SER 92 CO 0.02 0.37 -0.14 0.00 -1.14 0.00 0.00 176.83 175.94 2vvr h ALA 93 N 1.47 -0.40 0.26 3.77 0.00 -1.64 -1.40 119.26 121.31 2vvr h ALA 93 Ca 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2vvr h ALA 93 Cb 0.40 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vvr h ALA 93 CO -0.26 -0.71 -0.14 0.37 0.00 0.00 0.00 179.25 178.51 2vvr h GLN 94 N -0.43 -0.36 -0.37 0.00 4.15 -0.79 -2.79 115.11 114.53 2vvr h GLN 94 Ca -0.04 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 2vvr h GLN 94 Cb 0.33 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 2vvr h GLN 94 CO 0.07 -0.24 0.09 1.25 -1.93 0.00 0.00 178.83 178.07 2vvr h LEU 95 N -0.37 0.49 -1.36 -2.39 5.85 -1.02 -2.15 115.31 114.37 2vvr h LEU 95 Ca -0.03 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2vvr h LEU 95 Cb 0.30 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2vvr h LEU 95 CO 0.04 0.49 -0.27 0.77 -0.34 0.00 0.00 178.44 179.14 2vvr h SER 96 N 0.53 0.07 0.15 1.25 4.64 -1.14 0.25 113.55 119.29 2vvr h SER 96 Ca 0.12 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2vvr h SER 96 Cb 0.20 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2vvr h SER 96 CO -0.00 0.35 -0.07 0.03 -0.87 0.00 0.00 176.83 176.26 2vvr h ARG 97 N 0.07 -0.19 -0.54 4.77 2.47 -1.15 -0.88 114.38 118.93 2vvr h ARG 97 Ca 0.01 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2vvr h ARG 97 Cb 0.52 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.85 2vvr h ARG 97 CO 0.04 0.22 0.33 1.96 0.56 0.00 0.00 179.97 183.07 2vvr h GLN 98 N -0.67 0.63 0.00 0.04 4.20 -1.04 -2.47 115.11 115.80 2vvr h GLN 98 Ca -0.02 -0.04 -0.35 0.00 0.06 0.00 0.00 58.65 58.30 2vvr h GLN 98 Cb 0.50 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2vvr h GLN 98 CO 0.03 0.42 -2.31 0.09 -0.67 0.00 0.00 178.83 176.39 2vvr n ASN 99 N -4.78 1.05 -0.32 1.46 4.13 0.83 0.04 115.26 117.69 2vvr n ASN 99 Ca 0.04 -0.05 0.04 0.00 1.68 0.00 0.00 54.58 56.29 2vvr n ASN 99 Cb 0.08 0.46 0.03 0.00 -1.54 0.00 0.00 39.78 38.81 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 -2.88 1.66 -4.02 6.41 4.13 -0.58 -4.79 115.26 115.18 2vvr n ASN 100 Ca -0.35 -1.33 -0.31 0.00 1.68 0.00 0.00 54.58 54.27 2vvr n ASN 100 Cb 1.05 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.30 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 -3.52 -4.72 6.41 2.03 -0.44 -4.88 116.55 111.86 2vvr n ASP 101 Ca 0.05 -0.89 -0.42 0.00 0.52 0.00 0.00 54.79 54.04 2vvr n ASP 101 Cb 0.20 -3.39 -0.01 0.00 -0.72 0.00 0.00 41.12 37.20 2vvr n ASP 101 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2vvr n THR 102 N -4.52 1.61 0.25 5.18 -2.24 -0.94 -4.84 114.28 108.78 2vvr n THR 102 Ca -0.01 -0.40 0.03 0.00 -2.27 0.00 0.00 64.05 61.40 2vvr n THR 102 Cb 0.54 -1.73 0.02 0.00 -2.10 0.00 0.00 70.33 67.06 2vvr n THR 102 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2vvr n ASN 103 N 1.23 1.41 -3.96 3.42 0.23 -0.41 -4.82 115.26 112.36 2vvr n ASN 103 Ca 0.06 -1.20 -0.18 0.00 -0.53 0.00 0.00 54.58 52.73 2vvr n ASN 103 Cb 0.36 0.08 -0.15 0.00 -2.08 0.00 0.00 39.78 37.98 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 -0.58 0.55 -0.07 3.53 1.01 -1.08 -0.76 120.40 123.00 2vvr s VAL 104 Ca 0.07 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2vvr s VAL 104 Cb 0.05 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 2vvr s VAL 104 CO 0.09 0.18 -0.22 -0.22 0.00 0.00 0.00 175.10 174.92 2vvr s LEU 105 N 0.16 2.01 0.10 3.92 2.96 -0.55 -0.96 118.68 126.31 2vvr s LEU 105 Ca -0.02 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 2vvr s LEU 105 Cb -0.06 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 2vvr s LEU 105 CO -0.00 0.19 -0.14 0.00 -1.32 0.00 0.00 176.35 175.08 2vvr s ALA 106 N 0.06 1.33 0.31 5.97 0.00 0.40 -1.44 121.76 128.39 2vvr s ALA 106 Ca -0.08 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 2vvr s ALA 106 Cb -0.14 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2vvr s ALA 106 CO 0.05 0.12 0.63 -0.59 0.00 0.00 0.00 175.76 175.97 2vvr s PHE 107 N -1.78 0.26 -0.16 0.00 -0.71 -1.05 -2.74 117.98 111.80 2vvr s PHE 107 Ca 0.04 -0.72 -0.01 0.00 -1.04 0.00 0.00 56.93 55.20 2vvr s PHE 107 Cb -0.07 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.20 2vvr s PHE 107 CO 0.02 -1.25 -0.12 0.20 -1.34 0.00 0.00 175.22 172.73 2vvr s GLY 108 N -3.04 1.53 0.52 1.99 0.00 -1.08 -3.10 107.32 104.15 2vvr s GLY 108 Ca 0.19 -1.01 0.34 0.00 0.00 0.00 0.00 44.72 44.24 2vvr s GLY 108 CO 0.11 0.02 2.02 1.48 0.00 0.00 0.00 173.10 176.73 2vvr h SER 109 N 7.22 0.00 -0.15 1.64 4.64 -0.33 -1.19 113.55 125.38 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 0.57 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.07 2vvr n ARG 110 N -2.92 2.24 -0.04 4.77 5.12 0.11 -4.54 116.66 121.40 2vvr n ARG 110 Ca -0.00 -1.84 -0.10 0.00 -1.93 0.00 0.00 57.85 53.98 2vvr n ARG 110 Cb 0.22 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 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 1.15 0.99 -4.20 1.55 0.31 -0.77 -5.03 118.33 112.32 2vvr n VAL 111 Ca 0.16 0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 64.16 2vvr n VAL 111 Cb 0.55 -1.79 -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 -2.32 4.64 0.90 2.52 -7.23 -0.52 -5.05 120.40 113.34 2vvr s VAL 112 Ca -0.16 -0.22 -0.13 0.00 -1.81 0.00 0.00 61.98 59.66 2vvr s VAL 112 Cb 0.05 -3.02 0.13 0.00 0.56 0.00 0.00 36.38 34.11 2vvr s VAL 112 CO 0.22 0.53 1.16 -0.83 -0.31 0.00 0.00 175.10 175.87 2vvr s GLY 113 N -1.17 1.59 0.14 2.32 0.00 -1.26 -4.64 107.32 104.30 2vvr s GLY 113 Ca 0.16 -0.62 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 2vvr s GLY 113 CO 0.06 -0.05 1.71 -2.00 0.00 0.00 0.00 173.10 172.83 2vvr h LEU 114 N -1.45 0.53 -0.39 0.66 5.85 -1.98 -0.78 115.31 117.75 2vvr h LEU 114 Ca -0.49 -0.13 -0.19 0.00 0.84 0.00 0.00 57.88 57.91 2vvr h LEU 114 Cb 1.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2vvr h LEU 114 CO 0.60 0.51 -0.76 -0.33 -0.34 0.00 0.00 178.44 178.12 2vvr h GLU 115 N 0.51 0.36 -0.53 1.25 4.39 -1.99 0.27 114.58 118.85 2vvr h GLU 115 Ca 0.14 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 2vvr h GLU 115 Cb 0.12 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2vvr h GLU 115 CO -0.02 0.96 0.25 1.25 -1.16 0.00 0.00 179.01 180.30 2vvr h LEU 116 N 0.24 0.69 -0.56 1.33 5.85 -1.94 -1.92 115.31 119.00 2vvr h LEU 116 Ca -0.04 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2vvr h LEU 116 Cb 1.34 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2vvr h LEU 116 CO 0.13 0.63 0.33 0.00 -0.34 0.00 0.00 178.44 179.18 2vvr h ALA 117 N 1.09 0.73 -0.86 1.25 0.00 -0.67 -0.68 119.26 120.12 2vvr h ALA 117 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2vvr h ALA 117 Cb 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2vvr h ALA 117 CO -0.02 0.03 0.54 0.87 0.00 0.00 0.00 179.25 180.67 2vvr h LYS 118 N 0.64 1.15 -0.68 0.00 1.57 -0.85 -0.93 116.57 117.47 2vvr h LYS 118 Ca 0.23 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2vvr h LYS 118 Cb 0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2vvr h LYS 118 CO -0.12 0.78 0.20 1.98 -0.57 0.00 0.00 179.45 181.72 2vvr h MET 119 N 1.17 1.04 -0.54 3.15 4.05 -0.85 -0.91 114.93 122.04 2vvr h MET 119 Ca 0.31 -0.22 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2vvr h MET 119 Cb -0.09 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 2vvr h MET 119 CO -0.06 0.90 0.17 0.82 0.23 0.00 0.00 176.91 178.97 2vvr h ILE 120 N 1.00 1.23 -0.14 1.77 2.04 -0.68 -1.37 117.51 121.37 2vvr h ILE 120 Ca 0.22 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2vvr h ILE 120 Cb 0.30 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2vvr h ILE 120 CO -0.01 0.29 0.08 0.58 0.00 0.00 0.00 178.15 179.10 2vvr h VAL 121 N 0.75 1.02 -0.90 1.67 2.07 -0.95 -1.21 116.25 118.70 2vvr h VAL 121 Ca 0.18 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2vvr h VAL 121 Cb 0.27 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2vvr h VAL 121 CO -0.01 0.03 0.58 0.44 0.02 0.00 0.00 177.57 178.63 2vvr h ASP 122 N 0.17 1.05 -0.66 0.57 3.32 -1.04 -0.05 116.42 119.77 2vvr h ASP 122 Ca 0.05 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2vvr h ASP 122 Cb -0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2vvr h ASP 122 CO -0.02 0.78 0.21 0.00 -1.72 0.00 0.00 179.24 178.48 2vvr h ALA 123 N 1.32 0.87 0.12 3.45 0.00 -1.07 -0.68 119.26 123.26 2vvr h ALA 123 Ca 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2vvr h ALA 123 Cb -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2vvr h ALA 123 CO -0.07 0.54 -0.06 2.35 0.00 0.00 0.00 179.25 182.02 2vvr h TRP 124 N 0.96 -0.15 -0.15 0.00 7.01 -0.79 -2.97 115.95 119.86 2vvr h TRP 124 Ca 0.21 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 2vvr h TRP 124 Cb 0.29 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 2vvr h TRP 124 CO 0.02 0.23 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.80 2vvr h LEU 125 N -0.56 0.20 -0.04 0.65 3.38 -1.01 -3.01 115.31 114.92 2vvr h LEU 125 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2vvr h LEU 125 Cb 0.44 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2vvr h LEU 125 CO 0.03 0.27 0.00 1.23 0.09 0.00 0.00 178.44 180.06 2vvr h GLY 126 N 0.52 0.00 -3.74 0.83 0.00 -1.10 -3.47 103.07 96.10 2vvr h GLY 126 Ca 0.05 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.84 2vvr h GLY 126 CO 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 2vvr s ALA 127 N -3.15 3.53 -0.05 3.60 0.00 -1.13 -5.08 121.76 119.49 2vvr s ALA 127 Ca 0.09 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.95 2vvr s ALA 127 Cb 0.10 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 2vvr s ALA 127 CO 0.62 0.45 -0.18 -1.14 0.00 0.00 0.00 175.76 175.51 2vvr s GLN 128 N -2.43 2.44 0.15 0.00 0.74 -1.26 -4.85 119.66 114.45 2vvr s GLN 128 Ca 0.44 -0.76 -0.31 0.00 0.05 0.00 0.00 55.36 54.77 2vvr s GLN 128 Cb -0.13 -2.30 -0.10 0.00 1.10 0.00 0.00 33.01 31.58 2vvr s GLN 128 CO 0.20 0.58 1.61 -0.47 -0.55 0.00 0.00 175.29 176.66 2vvr s TYR 129 N -0.64 2.91 -2.27 1.67 5.04 -1.24 -3.90 117.35 118.93 2vvr s TYR 129 Ca 0.10 0.52 0.27 0.00 -2.44 0.00 0.00 57.07 55.51 2vvr s TYR 129 Cb -0.11 -3.97 0.84 0.00 0.35 0.00 0.00 41.96 39.07 2vvr s TYR 129 CO 0.00 -3.66 1.62 0.39 -1.34 0.00 0.00 175.55 172.56 2vvr n GLU 130 N 4.28 1.42 0.00 4.97 1.02 0.11 -4.96 120.64 127.47 2vvr n GLU 130 Ca 0.15 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 2vvr n GLU 130 Cb 0.38 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.25 2.95 7.00 0.62 0.00 -1.26 -4.82 105.19 110.93 2vvr n GLY 131 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 3.12 0.40 -0.02 0.00 -1.26 -1.69 105.19 105.73 2vvr n GLY 132 Ca 0.00 -0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.16 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 0.28 0.00 1.61 0.11 -2.02 -2.26 114.38 112.11 2vvr h ARG 133 Ca 0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 2vvr h ARG 133 Cb 0.00 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 2vvr h ARG 133 CO 0.00 0.19 -0.23 0.45 0.10 0.00 0.00 179.97 180.47 2vvr h HIS 134 N 0.29 0.00 -0.86 4.08 3.86 -1.65 -3.25 115.15 117.63 2vvr h HIS 134 Ca 0.40 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.59 2vvr h HIS 134 Cb 1.11 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.54 2vvr h HIS 134 CO -0.00 0.23 0.49 0.37 0.86 0.00 0.00 177.93 179.88 2vvr h GLN 135 N 0.00 1.19 -0.77 2.45 5.75 -1.45 -1.68 115.11 120.60 2vvr h GLN 135 Ca -0.00 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 2vvr h GLN 135 Cb 0.61 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 2vvr h GLN 135 CO 0.03 0.86 0.51 1.96 -2.65 0.00 0.00 178.83 179.53 2vvr h GLN 136 N 1.19 0.95 -0.17 1.69 4.20 -1.75 0.49 115.11 121.71 2vvr h GLN 136 Ca 0.31 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 2vvr h GLN 136 Cb -0.00 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 2vvr h GLN 136 CO -0.05 0.63 -0.14 0.00 -0.67 0.00 0.00 178.83 178.60 2vvr h ARG 137 N 0.98 0.39 -0.78 1.46 3.08 -1.58 -1.95 114.38 115.99 2vvr h ARG 137 Ca 0.30 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2vvr h ARG 137 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2vvr h ARG 137 CO -0.08 0.74 0.47 0.28 -1.07 0.00 0.00 179.97 180.32 2vvr h VAL 138 N 0.05 1.22 -0.52 2.04 2.07 -1.03 -1.83 116.25 118.24 2vvr h VAL 138 Ca 0.03 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2vvr h VAL 138 Cb 0.66 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2vvr h VAL 138 CO 0.04 0.23 0.35 -0.33 0.02 0.00 0.00 177.57 177.87 2vvr h GLU 139 N 1.07 0.61 -0.39 1.57 5.08 -0.89 -1.40 114.58 120.25 2vvr h GLU 139 Ca 0.28 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2vvr h GLU 139 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2vvr h GLU 139 CO -0.05 0.41 -0.04 0.00 -1.00 0.00 0.00 179.01 178.32 2vvr h ALA 140 N 1.69 1.20 -0.07 3.43 0.00 -0.53 -1.18 119.26 123.80 2vvr h ALA 140 Ca 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vvr h ALA 140 Cb 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vvr h ALA 140 CO -0.05 0.52 0.04 0.82 0.00 0.00 0.00 179.25 180.58 2vvr h ILE 141 N 0.60 1.07 -0.84 0.00 2.04 -0.71 -2.15 117.51 117.51 2vvr h ILE 141 Ca 0.12 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.86 2vvr h ILE 141 Cb 0.44 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 2vvr h ILE 141 CO 0.02 0.06 0.51 0.74 0.00 0.00 0.00 178.15 179.48 2vvr h THR 142 N 0.04 0.99 -0.69 -0.27 2.02 -1.37 -1.96 112.91 111.65 2vvr h THR 142 Ca 0.02 -0.31 0.12 0.00 0.77 0.00 0.00 66.41 67.02 2vvr h THR 142 Cb 0.06 0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 66.40 2vvr h THR 142 CO -0.00 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.32 2vvr h ALA 143 N 1.43 0.94 -0.79 6.16 0.00 -0.82 -1.18 119.26 124.99 2vvr h ALA 143 Ca 0.38 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.44 2vvr h ALA 143 Cb 0.25 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2vvr h ALA 143 CO -0.20 -0.19 0.52 0.82 0.00 0.00 0.00 179.25 180.19 2vvr h ILE 144 N 0.44 1.09 -0.44 0.00 2.04 -0.72 -2.82 117.51 117.10 2vvr h ILE 144 Ca 0.37 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.95 2vvr h ILE 144 Cb 0.51 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2vvr h ILE 144 CO -0.36 0.17 0.29 -0.33 0.00 0.00 0.00 178.15 177.92 2vvr h GLU 145 N 0.93 0.43 0.00 2.37 5.08 -1.00 -3.52 114.58 118.87 2vvr h GLU 145 Ca 0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2vvr h GLU 145 Cb 0.11 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2vvr h GLU 145 CO -0.10 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.19