#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 0.69 -4.83 0.03 4.76 -1.26 -4.86 118.16 112.68 2vvr n LYS 2 Ca 0.00 0.19 -0.25 0.00 -2.87 0.00 0.00 58.31 55.38 2vvr n LYS 2 Cb 0.00 -1.65 -0.16 0.00 -1.84 0.00 0.00 35.03 31.38 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 1.53 -0.05 1.97 -2.85 -1.26 -1.33 119.74 115.20 2vvr s LYS 3 Ca -0.18 -0.61 0.03 0.00 -1.00 0.00 0.00 55.97 54.20 2vvr s LYS 3 Cb 0.07 -1.43 0.01 0.00 -2.06 0.00 0.00 37.83 34.43 2vvr s LYS 3 CO 0.76 0.33 -0.12 0.42 0.10 0.00 0.00 175.35 176.83 2vvr s ILE 4 N -0.25 1.09 -0.17 3.79 -1.09 -0.26 -0.57 121.20 123.75 2vvr s ILE 4 Ca 0.03 -0.48 -0.20 0.00 -2.23 0.00 0.00 60.65 57.76 2vvr s ILE 4 Cb -0.08 -0.98 -0.03 0.00 -1.58 0.00 0.00 42.46 39.78 2vvr s ILE 4 CO 0.00 0.34 0.58 0.00 -1.23 0.00 0.00 174.94 174.63 2vvr s ALA 5 N 0.44 3.50 -0.10 9.38 0.00 -0.26 -0.70 121.76 134.03 2vvr s ALA 5 Ca -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 2vvr s ALA 5 Cb -0.13 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2vvr s ALA 5 CO 0.03 -0.36 0.01 0.12 0.00 0.00 0.00 175.76 175.55 2vvr s PHE 6 N 1.45 3.17 0.02 0.00 2.19 -0.02 -1.25 117.98 123.54 2vvr s PHE 6 Ca 0.28 0.14 -0.06 0.00 0.33 0.00 0.00 56.93 57.62 2vvr s PHE 6 Cb -0.16 -1.84 -0.00 0.00 -1.31 0.00 0.00 43.02 39.71 2vvr s PHE 6 CO 0.11 0.40 0.12 0.20 1.83 0.00 0.00 175.22 177.88 2vvr s GLY 7 N -0.65 0.10 0.11 13.12 0.00 -0.40 -0.44 107.32 119.17 2vvr s GLY 7 Ca 0.11 -0.33 -0.25 0.00 0.00 0.00 0.00 44.72 44.25 2vvr s GLY 7 CO 0.02 -0.46 0.62 0.00 0.00 0.00 0.00 173.10 173.28 2vvr n ASP 9 N -0.09 0.12 0.19 0.00 3.85 -1.13 -0.76 116.55 118.72 2vvr n ASP 9 Ca -0.17 -1.10 0.06 0.00 -0.71 0.00 0.00 54.79 52.86 2vvr n ASP 9 Cb 0.63 -0.06 0.53 0.00 -1.35 0.00 0.00 41.12 40.87 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 -0.41 0.11 0.14 2.11 2.07 -1.80 -0.65 115.15 116.72 2vvr h HIS 10 Ca -0.03 -0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.23 2vvr h HIS 10 Cb 0.11 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.07 2vvr h HIS 10 CO 0.00 0.16 -1.22 0.28 -3.07 0.00 0.00 177.93 174.08 2vvr h VAL 11 N 0.11 1.22 -0.00 6.12 2.07 -1.91 -3.29 116.25 120.58 2vvr h VAL 11 Ca 0.03 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2vvr h VAL 11 Cb 0.15 2.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2vvr h VAL 11 CO 0.01 0.73 0.00 1.23 0.02 0.00 0.00 177.57 179.55 2vvr h GLY 12 N -0.05 0.00 0.57 2.17 0.00 -1.68 -2.96 103.07 101.12 2vvr h GLY 12 Ca -0.24 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.29 2vvr h GLY 12 CO 0.12 0.00 0.51 -2.75 0.00 0.00 0.00 176.54 174.42 2vvr h PHE 13 N 0.00 0.01 -0.09 5.60 3.04 -1.18 -1.66 116.94 122.66 2vvr h PHE 13 Ca 0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 2vvr h PHE 13 Cb 0.00 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 2vvr h PHE 13 CO 0.00 0.00 0.13 -0.84 -2.02 0.00 0.00 178.31 175.58 2vvr h ILE 14 N 0.01 0.35 -0.01 1.41 3.07 -1.70 -0.73 117.51 119.91 2vvr h ILE 14 Ca 0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.75 2vvr h ILE 14 Cb 1.36 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 2vvr h ILE 14 CO -0.01 0.00 -0.71 0.18 -1.05 0.00 0.00 178.15 176.56 2vvr n LEU 15 N -3.59 1.37 0.19 0.16 4.77 -0.63 -4.76 117.00 114.52 2vvr n LEU 15 Ca -0.01 -0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 55.26 2vvr n LEU 15 Cb 0.22 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 2vvr n LEU 15 CO 0.25 0.29 0.55 0.50 -1.33 0.00 0.00 177.39 177.65 2vvr h LYS 16 N 1.03 -0.79 -0.69 3.23 3.64 -1.17 -1.09 116.57 120.73 2vvr h LYS 16 Ca 0.00 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2vvr h LYS 16 Cb 0.60 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2vvr h LYS 16 CO 0.00 -0.53 0.26 0.45 -2.27 0.00 0.00 179.45 177.36 2vvr h HIS 17 N -0.82 1.05 -0.23 1.91 3.86 -1.86 0.13 115.15 119.20 2vvr h HIS 17 Ca -0.02 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 58.98 2vvr h HIS 17 Cb 0.77 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 2vvr h HIS 17 CO -0.33 0.81 -0.36 0.93 0.86 0.00 0.00 177.93 179.85 2vvr h GLU 18 N 1.01 0.64 -0.29 2.45 4.39 -1.86 -1.23 114.58 119.68 2vvr h GLU 18 Ca 0.23 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 2vvr h GLU 18 Cb 0.22 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2vvr h GLU 18 CO -0.02 1.00 0.00 0.82 -1.16 0.00 0.00 179.01 179.66 2vvr h ILE 19 N 0.34 1.26 -0.41 3.13 1.08 -0.84 -1.13 117.51 120.93 2vvr h ILE 19 Ca 0.02 -0.92 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 2vvr h ILE 19 Cb 0.95 1.28 -0.05 0.00 -3.07 0.00 0.00 36.82 35.93 2vvr h ILE 19 CO 0.08 0.30 0.11 0.58 -0.69 0.00 0.00 178.15 178.53 2vvr h VAL 20 N 0.31 0.83 -0.68 1.67 2.07 -0.76 -1.11 116.25 118.58 2vvr h VAL 20 Ca 0.08 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2vvr h VAL 20 Cb 0.42 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2vvr h VAL 20 CO 0.01 0.05 0.41 0.00 0.02 0.00 0.00 177.57 178.06 2vvr h ALA 21 N 1.29 0.90 -0.83 1.67 0.00 -1.07 -0.75 119.26 120.47 2vvr h ALA 21 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2vvr h ALA 21 Cb 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2vvr h ALA 21 CO -0.23 0.15 0.54 1.25 0.00 0.00 0.00 179.25 180.96 2vvr h HIS 22 N 0.79 1.03 -0.44 0.00 6.17 -0.78 0.12 115.15 122.02 2vvr h HIS 22 Ca 0.29 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.32 2vvr h HIS 22 Cb 0.08 -0.35 -0.02 0.00 2.52 0.00 0.00 27.41 29.65 2vvr h HIS 22 CO -0.05 0.63 0.00 -0.07 0.71 0.00 0.00 177.93 179.15 2vvr h LEU 23 N 1.09 0.77 -0.31 0.26 3.38 -0.62 -0.69 115.31 119.19 2vvr h LEU 23 Ca 0.31 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2vvr h LEU 23 Cb -0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2vvr h LEU 23 CO -0.08 0.88 0.20 0.58 0.09 0.00 0.00 178.44 180.11 2vvr h VAL 24 N 0.63 1.09 -0.91 1.22 2.07 -0.87 -1.48 116.25 118.00 2vvr h VAL 24 Ca 0.13 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.60 2vvr h VAL 24 Cb 0.49 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2vvr h VAL 24 CO 0.02 0.09 0.58 -0.08 0.02 0.00 0.00 177.57 178.20 2vvr h GLU 25 N 0.42 0.77 0.00 1.57 4.81 -0.56 -0.06 114.58 121.52 2vvr h GLU 25 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2vvr h GLU 25 Cb -0.03 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2vvr h GLU 25 CO -0.02 0.51 0.00 0.54 -0.73 0.00 0.00 179.01 179.30 2vvr n ARG 26 N -4.57 0.57 -0.48 1.92 5.12 -0.28 -4.90 116.66 114.03 2vvr n ARG 26 Ca 0.17 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 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 0.81 0.71 3.88 -0.13 0.00 -0.03 -5.07 105.19 105.35 2vvr n GLY 27 Ca 0.16 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 5.48 -0.21 1.61 -7.23 -0.63 -4.96 120.40 112.47 2vvr s VAL 28 Ca 0.00 0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 60.11 2vvr s VAL 28 Cb 0.00 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.53 2vvr s VAL 28 CO 0.00 0.61 1.07 -0.70 -0.31 0.00 0.00 175.10 175.77 2vvr s GLU 29 N -1.06 4.27 -0.25 4.82 2.12 -0.44 -4.03 118.70 124.13 2vvr s GLU 29 Ca 0.16 1.41 -0.14 0.00 0.36 0.00 0.00 54.97 56.75 2vvr s GLU 29 Cb -0.12 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2vvr s GLU 29 CO 0.05 -0.61 0.34 0.08 -0.54 0.00 0.00 175.26 174.58 2vvr s VAL 30 N 3.12 5.21 -0.37 3.70 1.01 -1.26 -1.11 120.40 130.71 2vvr s VAL 30 Ca 0.46 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.81 2vvr s VAL 30 Cb -0.16 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2vvr s VAL 30 CO 0.08 0.20 0.33 -0.63 0.00 0.00 0.00 175.10 175.09 2vvr s ILE 31 N 1.79 5.20 -0.25 2.22 -1.09 0.12 -4.98 121.20 124.22 2vvr s ILE 31 Ca 0.14 -0.21 -0.21 0.00 -2.23 0.00 0.00 60.65 58.14 2vvr s ILE 31 Cb -0.15 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2vvr s ILE 31 CO 0.09 -0.16 0.66 -0.62 -1.23 0.00 0.00 174.94 173.67 2vvr s ASP 32 N 1.73 6.62 0.00 3.58 3.68 -1.26 -0.84 116.67 130.18 2vvr s ASP 32 Ca 0.09 0.76 0.19 0.00 2.13 0.00 0.00 52.55 55.71 2vvr s ASP 32 Cb -0.17 -2.35 0.30 0.00 -1.45 0.00 0.00 42.92 39.25 2vvr s ASP 32 CO 0.11 -0.39 1.24 0.29 0.13 0.00 0.00 175.17 176.56 2vvr n LYS 33 N 5.72 2.11 0.00 4.34 4.76 0.42 -4.95 118.16 130.57 2vvr n LYS 33 Ca 0.00 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.47 2vvr n LYS 33 Cb 0.49 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 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 1.14 -0.47 3.92 0.72 0.00 -1.25 -4.88 105.19 104.38 2vvr n GLY 34 Ca 0.15 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.11 2.00 0.00 2.61 -1.32 0.06 -0.66 115.64 117.22 2vvr s THR 35 Ca 0.00 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2vvr s THR 35 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.99 2vvr s THR 35 CO 0.00 0.00 0.76 0.79 -2.21 0.00 0.00 174.62 173.96 2vvr n TRP 36 N -3.59 0.00 -3.93 9.09 8.01 -1.26 -4.87 117.44 120.89 2vvr n TRP 36 Ca 0.13 -0.27 -0.10 0.00 -1.31 0.00 0.00 57.50 55.94 2vvr n TRP 36 Cb 0.60 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.31 29.86 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 -0.54 0.23 0.00 -0.99 1.04 -1.26 -5.02 113.70 107.16 2vvr s SER 37 Ca 0.00 -1.14 0.12 0.00 0.48 0.00 0.00 55.95 55.41 2vvr s SER 37 Cb 0.00 0.73 0.67 0.00 0.10 0.00 0.00 66.02 67.52 2vvr s SER 37 CO 0.00 -1.43 1.44 -1.54 0.98 0.00 0.00 173.24 172.69 2vvr n SER 38 N -1.10 0.12 -4.71 7.02 3.41 -1.26 -4.53 113.62 112.58 2vvr n SER 38 Ca -0.04 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.49 2vvr n SER 38 Cb 0.61 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.98 4.21 0.08 4.33 2.12 -1.26 -4.84 118.70 121.36 2vvr s GLU 39 Ca 0.18 2.34 -0.37 0.00 0.36 0.00 0.00 54.97 57.48 2vvr s GLU 39 Cb 0.08 -3.29 -0.18 0.00 0.26 0.00 0.00 34.13 31.00 2vvr s GLU 39 CO 0.14 -0.64 1.16 -2.13 -0.54 0.00 0.00 175.26 173.24 2vvr n ARG 40 N 4.47 0.66 -3.88 4.30 0.63 -1.26 -4.57 116.66 117.00 2vvr n ARG 40 Ca 0.14 0.24 -0.08 0.00 -0.92 0.00 0.00 57.85 57.23 2vvr n ARG 40 Cb 0.39 -1.76 -0.03 0.00 0.45 0.00 0.00 32.46 31.52 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 0.08 0.00 -0.24 5.15 -1.32 -1.26 -5.01 115.64 113.04 2vvr s THR 41 Ca 0.83 -1.07 -0.09 0.00 -1.21 0.00 0.00 61.69 60.15 2vvr s THR 41 Cb -1.05 -2.02 -0.04 0.00 -1.51 0.00 0.00 72.50 67.88 2vvr s THR 41 CO 0.52 -0.00 0.12 -1.81 -2.21 0.00 0.00 174.62 171.24 2vvr s ASP 42 N -2.94 5.66 0.38 8.08 1.01 -1.26 -4.65 116.67 122.95 2vvr s ASP 42 Ca 0.13 -0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.41 2vvr s ASP 42 Cb -0.05 -2.02 0.76 0.00 1.01 0.00 0.00 42.92 42.62 2vvr s ASP 42 CO 0.07 0.02 2.02 0.10 0.21 0.00 0.00 175.17 177.59 2vvr h TYR 43 N 7.83 0.67 -0.66 4.23 -0.00 -1.99 -3.08 116.97 123.97 2vvr h TYR 43 Ca -0.37 0.02 0.03 0.00 0.00 0.00 0.00 58.73 58.40 2vvr h TYR 43 Cb 1.18 -0.23 -0.04 0.00 0.00 0.00 0.00 36.73 37.65 2vvr h TYR 43 CO 0.67 0.40 0.44 -1.35 -0.00 0.00 0.00 178.16 178.32 2vvr h PRO 44 N 0.71 0.80 -0.85 0.10 0.11 -1.94 -2.14 132.00 128.79 2vvr h PRO 44 Ca 0.22 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.35 2vvr h PRO 44 Cb 0.02 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 30.89 2vvr h PRO 44 CO -0.06 0.53 0.52 1.25 -0.21 0.00 0.00 178.00 180.03 2vvr h HIS 45 N 0.82 0.97 -0.01 0.65 -0.00 -1.98 -0.75 115.15 114.85 2vvr h HIS 45 Ca 0.26 0.03 -0.24 0.00 -0.00 0.00 0.00 60.37 60.42 2vvr h HIS 45 Cb 0.02 -0.31 0.01 0.00 -0.00 0.00 0.00 27.41 27.12 2vvr h HIS 45 CO -0.00 0.49 -0.96 1.88 -0.00 0.00 0.00 177.93 179.34 2vvr h TYR 46 N 0.96 0.77 -0.39 5.26 -1.99 -1.56 -2.03 116.97 117.99 2vvr h TYR 46 Ca 0.37 -0.41 0.08 0.00 2.00 0.00 0.00 58.73 60.76 2vvr h TYR 46 Cb 0.16 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 38.73 2vvr h TYR 46 CO -0.03 1.24 -0.12 0.00 -0.00 0.00 0.00 178.16 179.24 2vvr h ALA 47 N 0.63 0.22 -0.41 3.88 0.00 -1.25 -2.03 119.26 120.30 2vvr h ALA 47 Ca -0.09 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2vvr h ALA 47 Cb 1.60 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 2vvr h ALA 47 CO 0.18 -0.48 0.18 0.77 0.00 0.00 0.00 179.25 179.90 2vvr h SER 48 N -0.03 0.25 -0.38 0.00 0.02 -0.94 0.63 113.55 113.08 2vvr h SER 48 Ca 0.19 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2vvr h SER 48 Cb 0.32 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2vvr h SER 48 CO -0.42 0.18 0.24 1.56 -1.14 0.00 0.00 176.83 177.25 2vvr h GLN 49 N 0.38 0.48 -0.09 3.45 1.08 -1.02 0.27 115.11 119.65 2vvr h GLN 49 Ca 0.18 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 2vvr h GLN 49 Cb 0.12 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2vvr h GLN 49 CO -0.15 0.32 -0.05 0.28 -0.95 0.00 0.00 178.83 178.27 2vvr h VAL 50 N 0.49 1.33 -0.49 -0.54 2.07 -1.28 -2.81 116.25 115.03 2vvr h VAL 50 Ca 0.15 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.60 2vvr h VAL 50 Cb -0.03 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2vvr h VAL 50 CO -0.05 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.12 2vvr h ALA 51 N 0.62 0.62 -0.87 1.67 0.00 -0.69 -0.64 119.26 119.97 2vvr h ALA 51 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2vvr h ALA 51 Cb 0.51 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2vvr h ALA 51 CO 0.01 -0.06 0.57 -0.07 0.00 0.00 0.00 179.25 179.70 2vvr h LEU 52 N 0.53 0.97 -0.54 0.00 3.38 -1.01 0.19 115.31 118.83 2vvr h LEU 52 Ca 0.20 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2vvr h LEU 52 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2vvr h LEU 52 CO -0.12 0.69 0.13 0.00 0.09 0.00 0.00 178.44 179.22 2vvr h ALA 53 N 1.34 0.72 -0.03 1.53 0.00 -1.13 0.86 119.26 122.55 2vvr h ALA 53 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2vvr h ALA 53 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2vvr h ALA 53 CO -0.09 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 2vvr h VAL 54 N 0.77 1.37 -0.55 0.00 2.07 -0.86 -2.24 116.25 116.81 2vvr h VAL 54 Ca 0.17 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2vvr h VAL 54 Cb 0.35 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 2vvr h VAL 54 CO 0.00 0.31 0.12 0.00 0.02 0.00 0.00 177.57 178.02 2vvr h ALA 55 N 0.54 1.18 -0.02 1.67 0.00 -0.57 -2.12 119.26 119.94 2vvr h ALA 55 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2vvr h ALA 55 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2vvr h ALA 55 CO 0.01 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2vvr n GLY 56 N -0.83 -0.82 2.41 0.00 0.00 0.29 -4.93 105.19 101.32 2vvr n GLY 56 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.81 0.44 0.13 -0.02 0.00 -0.80 -4.85 105.19 100.90 2vvr n GLY 57 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2vvr n GLY 57 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2vvr h GLU 58 N 1.02 0.00 -3.93 1.61 4.11 -1.67 -3.45 114.58 112.26 2vvr h GLU 58 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2vvr h GLU 58 Cb 0.20 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.29 2vvr h GLU 58 CO 0.00 0.00 -0.55 0.54 0.07 0.00 0.00 179.01 179.07 2vvr s VAL 59 N -3.22 0.16 -0.04 -1.06 0.11 -1.17 -5.03 120.40 110.15 2vvr s VAL 59 Ca 0.07 -1.30 0.12 0.00 -2.93 0.00 0.00 61.98 57.95 2vvr s VAL 59 Cb 0.11 -1.12 -0.13 0.00 -1.53 0.00 0.00 36.38 33.71 2vvr s VAL 59 CO 0.51 -0.72 1.11 0.44 -3.33 0.00 0.00 175.10 173.11 2vvr h ASP 60 N 3.41 0.00 -5.39 3.54 3.32 -1.16 -3.42 116.42 116.71 2vvr h ASP 60 Ca -0.33 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.88 2vvr h ASP 60 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 2vvr h ASP 60 CO 0.55 0.78 0.56 -0.83 -1.72 0.00 0.00 179.24 178.59 2vvr s GLY 61 N -4.74 0.05 0.08 2.75 0.00 -1.17 -4.92 107.32 99.36 2vvr s GLY 61 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.51 2vvr s GLY 61 CO 0.80 1.84 -0.10 -0.32 0.00 0.00 0.00 173.10 175.32 2vvr s GLY 62 N -3.30 0.76 -0.04 0.20 0.00 -0.28 -1.10 107.32 103.56 2vvr s GLY 62 Ca 0.20 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.86 2vvr s GLY 62 CO 0.05 -1.14 -0.08 -0.42 0.00 0.00 0.00 173.10 171.50 2vvr s ILE 63 N -2.15 0.79 -0.03 0.90 1.01 -0.38 -1.55 121.20 119.78 2vvr s ILE 63 Ca 0.01 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.39 2vvr s ILE 63 Cb -0.05 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.69 2vvr s ILE 63 CO -0.00 0.27 -0.08 -0.76 0.00 0.00 0.00 174.94 174.37 2vvr s LEU 64 N 0.62 1.74 -0.06 2.97 1.43 -0.33 -1.27 118.68 123.77 2vvr s LEU 64 Ca -0.10 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2vvr s LEU 64 Cb -0.13 -0.52 0.01 0.00 0.03 0.00 0.00 46.19 45.59 2vvr s LEU 64 CO 0.01 0.05 -0.11 -0.63 0.23 0.00 0.00 176.35 175.90 2vvr s ILE 65 N 0.28 1.03 0.00 -0.59 1.01 -0.81 -2.50 121.20 119.62 2vvr s ILE 65 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2vvr s ILE 65 Cb -0.09 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.43 2vvr s ILE 65 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.28 2vvr h GLY 67 N 0.00 0.76 0.00 0.00 0.00 -1.87 -0.32 103.07 101.64 2vvr h GLY 67 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2vvr h GLY 67 CO 0.00 0.00 -0.46 -1.30 0.00 0.00 0.00 176.54 174.78 2vvr n THR 68 N -4.99 0.00 -0.07 4.70 -2.24 -1.26 -1.04 114.28 109.38 2vvr n THR 68 Ca 0.07 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2vvr n THR 68 Cb 0.23 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.58 2.61 0.11 3.38 0.00 -1.19 -3.03 105.19 108.65 2vvr n GLY 69 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.66 -0.33 1.61 2.07 -1.93 -2.34 116.25 115.99 2vvr h VAL 70 Ca 0.00 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.29 2vvr h VAL 70 Cb 0.00 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2vvr h VAL 70 CO 0.00 0.20 0.16 1.23 0.02 0.00 0.00 177.57 179.18 2vvr h GLY 71 N -0.97 0.44 1.22 2.17 0.00 -2.00 -0.27 103.07 103.67 2vvr h GLY 71 Ca -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2vvr h GLY 71 CO 0.03 0.08 0.45 1.19 0.00 0.00 0.00 176.54 178.29 2vvr h ILE 72 N 0.33 1.21 -0.00 2.60 2.10 -1.91 -1.96 117.51 119.89 2vvr h ILE 72 Ca 0.14 -0.48 -0.16 0.00 1.08 0.00 0.00 64.86 65.44 2vvr h ILE 72 Cb 0.06 0.15 -0.02 0.00 -1.09 0.00 0.00 36.82 35.91 2vvr h ILE 72 CO -0.10 0.23 -0.77 0.77 -1.08 0.00 0.00 178.15 177.20 2vvr h SER 73 N 1.05 0.03 -0.33 2.19 4.64 -0.98 -2.36 113.55 117.79 2vvr h SER 73 Ca 0.27 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2vvr h SER 73 Cb -0.03 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2vvr h SER 73 CO -0.05 0.78 0.16 0.40 -0.87 0.00 0.00 176.83 177.25 2vvr h ILE 74 N 0.01 1.16 -0.19 0.95 2.04 -0.68 -1.32 117.51 119.47 2vvr h ILE 74 Ca -0.01 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2vvr h ILE 74 Cb 1.36 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2vvr h ILE 74 CO 0.10 0.17 0.03 0.00 0.00 0.00 0.00 178.15 178.45 2vvr h ALA 75 N 1.01 0.19 -0.76 1.87 0.00 -1.36 -2.61 119.26 117.61 2vvr h ALA 75 Ca 0.11 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2vvr h ALA 75 Cb 0.12 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2vvr h ALA 75 CO -0.01 -0.40 0.47 0.00 0.00 0.00 0.00 179.25 179.30 2vvr h ALA 76 N 1.14 1.02 0.00 0.00 0.00 -1.34 -2.44 119.26 117.64 2vvr h ALA 76 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2vvr h ALA 76 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vvr h ALA 76 CO -0.12 0.22 -0.04 -0.91 0.00 0.00 0.00 179.25 178.40 2vvr h ASN 77 N 0.88 0.00 0.52 0.00 -0.26 -0.90 -2.23 115.58 113.60 2vvr h ASN 77 Ca 0.32 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.06 2vvr h ASN 77 Cb 0.10 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 2vvr h ASN 77 CO -0.14 0.04 -0.02 0.11 -1.06 0.00 0.00 177.43 176.36 2vvr h LYS 78 N 0.00 0.00 -6.73 0.81 1.79 -1.08 -3.44 116.57 107.92 2vvr h LYS 78 Ca -0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2vvr h LYS 78 Cb 0.42 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2vvr h LYS 78 CO 0.01 0.02 0.30 -0.06 -1.08 0.00 0.00 179.45 178.63 2vvr s PHE 79 N -3.93 3.86 0.34 -1.35 0.40 -0.84 -5.04 117.98 111.42 2vvr s PHE 79 Ca -0.02 1.78 -0.28 0.00 -0.60 0.00 0.00 56.93 57.82 2vvr s PHE 79 Cb 0.11 -2.89 -0.10 0.00 0.51 0.00 0.00 43.02 40.65 2vvr s PHE 79 CO 0.50 0.39 1.22 0.00 0.70 0.00 0.00 175.22 178.02 2vvr s ALA 80 N -1.33 3.37 0.00 5.36 0.00 -1.26 -2.86 121.76 125.03 2vvr s ALA 80 Ca 0.43 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2vvr s ALA 80 Cb -0.22 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2vvr s ALA 80 CO 0.28 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2vvr n GLY 81 N 0.85 0.98 3.65 0.00 0.00 -1.26 -4.85 105.19 104.56 2vvr n GLY 81 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.94 4.79 -0.29 -0.61 -1.09 -1.14 -4.81 121.20 114.13 2vvr s ILE 82 Ca 0.00 -0.04 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 2vvr s ILE 82 Cb 0.00 -3.15 0.08 0.00 -1.58 0.00 0.00 42.46 37.82 2vvr s ILE 82 CO 0.00 0.48 0.03 -0.13 -1.23 0.00 0.00 174.94 174.09 2vvr s ARG 83 N 0.19 1.26 -0.18 2.79 0.52 -1.26 -4.76 118.95 117.52 2vvr s ARG 83 Ca 0.04 -1.25 -0.05 0.00 -0.52 0.00 0.00 55.73 53.96 2vvr s ARG 83 Cb -0.12 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 2vvr s ARG 83 CO 0.00 -0.82 -0.01 0.00 0.02 0.00 0.00 175.30 174.49 2vvr s ALA 84 N 1.34 3.06 -0.20 2.13 0.00 -1.26 -1.38 121.76 125.45 2vvr s ALA 84 Ca 0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 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 -0.13 0.06 0.11 0.54 0.00 0.00 0.00 175.76 176.35 2vvr s VAL 85 N 0.62 5.20 -0.11 0.00 0.11 -0.03 -4.97 120.40 121.22 2vvr s VAL 85 Ca -0.01 0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2vvr s VAL 85 Cb -0.14 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 2vvr s VAL 85 CO 0.02 0.43 -0.01 0.54 -3.33 0.00 0.00 175.10 172.75 2vvr s VAL 86 N 0.47 4.19 0.27 2.04 0.11 -1.26 -0.53 120.40 125.69 2vvr s VAL 86 Ca 0.06 -0.28 -0.21 0.00 -2.93 0.00 0.00 61.98 58.63 2vvr s VAL 86 Cb -0.12 -2.79 0.03 0.00 -1.53 0.00 0.00 36.38 31.97 2vvr s VAL 86 CO -0.00 0.56 0.75 0.00 -3.33 0.00 0.00 175.10 173.08 2vvr n SER 88 N -0.50 1.13 -3.70 0.00 3.41 -1.26 -4.56 113.62 108.14 2vvr n SER 88 Ca -0.04 -2.30 -0.10 0.00 -0.26 0.00 0.00 58.87 56.16 2vvr n SER 88 Cb 0.59 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.22 0.96 0.32 4.33 4.04 -1.26 -4.97 118.70 120.89 2vvr s GLU 89 Ca 0.12 -0.70 0.24 0.00 0.04 0.00 0.00 54.97 54.68 2vvr s GLU 89 Cb 0.11 0.42 0.55 0.00 0.02 0.00 0.00 34.13 35.22 2vvr s GLU 89 CO 0.01 -0.35 1.66 -1.00 -1.84 0.00 0.00 175.26 173.74 2vvr h PRO 90 N 2.65 0.00 -0.01 -4.83 0.14 -1.91 -3.33 132.00 124.71 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 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.37 2vvr h PRO 90 CO 0.48 0.00 0.01 -0.92 0.14 0.00 0.00 178.00 177.71 2vvr h TYR 91 N 0.00 0.02 -0.63 1.56 3.20 -1.97 -1.13 116.97 118.02 2vvr h TYR 91 Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2vvr h TYR 91 Cb 0.87 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 2vvr h TYR 91 CO 0.00 0.09 0.37 0.77 -1.64 0.00 0.00 178.16 177.75 2vvr h SER 92 N -0.06 0.59 0.16 -2.11 0.02 -2.00 -0.54 113.55 109.61 2vvr h SER 92 Ca 0.00 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2vvr h SER 92 Cb 0.08 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2vvr h SER 92 CO -0.00 0.40 -0.24 0.00 -1.14 0.00 0.00 176.83 175.85 2vvr h ALA 93 N 1.29 -0.44 0.22 3.77 0.00 -1.66 -1.40 119.26 121.05 2vvr h ALA 93 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2vvr h ALA 93 Cb 0.08 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2vvr h ALA 93 CO -0.13 -0.79 -0.14 0.37 0.00 0.00 0.00 179.25 178.56 2vvr h GLN 94 N -0.47 -0.34 -0.26 0.00 4.15 -0.90 -2.66 115.11 114.64 2vvr h GLN 94 Ca 0.02 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 2vvr h GLN 94 Cb 0.47 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 2vvr h GLN 94 CO -0.10 -0.23 -0.12 1.25 -1.93 0.00 0.00 178.83 177.70 2vvr h LEU 95 N -0.36 0.41 -1.33 -2.39 5.85 -1.14 -2.03 115.31 114.32 2vvr h LEU 95 Ca -0.02 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2vvr h LEU 95 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2vvr h LEU 95 CO 0.01 0.56 -0.00 0.77 -0.34 0.00 0.00 178.44 179.44 2vvr h SER 96 N 0.40 0.41 0.22 1.25 4.64 -1.13 0.30 113.55 119.63 2vvr h SER 96 Ca 0.08 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2vvr h SER 96 Cb 0.45 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2vvr h SER 96 CO 0.03 0.48 -0.11 0.03 -0.87 0.00 0.00 176.83 176.39 2vvr h ARG 97 N 0.43 -0.29 -0.55 4.77 2.47 -1.09 -0.36 114.38 119.76 2vvr h ARG 97 Ca 0.10 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.86 2vvr h ARG 97 Cb 0.29 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 2vvr h ARG 97 CO 0.01 0.03 0.34 1.96 0.56 0.00 0.00 179.97 182.86 2vvr h GLN 98 N -0.63 0.65 0.00 0.04 4.20 -0.95 -2.48 115.11 115.95 2vvr h GLN 98 Ca -0.03 -0.04 -0.35 0.00 0.06 0.00 0.00 58.65 58.29 2vvr h GLN 98 Cb 0.45 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 2vvr h GLN 98 CO 0.05 0.43 -2.32 0.09 -0.67 0.00 0.00 178.83 176.41 2vvr n ASN 99 N -4.76 0.55 -0.26 1.46 4.13 0.10 -0.08 115.26 116.39 2vvr n ASN 99 Ca 0.04 -0.02 0.03 0.00 1.68 0.00 0.00 54.58 56.32 2vvr n ASN 99 Cb 0.07 0.78 0.03 0.00 -1.54 0.00 0.00 39.78 39.12 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 -2.77 1.58 -4.05 6.41 5.03 -0.27 -4.81 115.26 116.37 2vvr n ASN 100 Ca -0.33 -1.30 -0.32 0.00 0.87 0.00 0.00 54.58 53.51 2vvr n ASN 100 Cb 1.10 -0.01 -0.01 0.00 -1.02 0.00 0.00 39.78 39.85 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 0.35 -3.20 -4.73 6.41 2.03 -0.47 -4.87 116.55 112.06 2vvr n ASP 101 Ca 0.04 -0.93 -0.42 0.00 0.52 0.00 0.00 54.79 54.00 2vvr n ASP 101 Cb 0.17 -3.24 -0.01 0.00 -0.72 0.00 0.00 41.12 37.32 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 -4.48 1.21 0.27 5.18 -2.24 -0.99 -4.85 114.28 108.37 2vvr n THR 102 Ca -0.02 -0.30 0.05 0.00 -2.27 0.00 0.00 64.05 61.51 2vvr n THR 102 Cb 0.54 -1.85 0.06 0.00 -2.10 0.00 0.00 70.33 66.98 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 1.84 1.96 -3.85 3.42 0.23 -0.48 -4.82 115.26 113.56 2vvr n ASN 103 Ca 0.08 -1.50 -0.15 0.00 -0.53 0.00 0.00 54.58 52.48 2vvr n ASN 103 Cb 0.36 -0.04 -0.15 0.00 -2.08 0.00 0.00 39.78 37.87 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 -0.80 0.10 -0.06 3.53 1.01 -1.06 -1.12 120.40 122.00 2vvr s VAL 104 Ca 0.12 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2vvr s VAL 104 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.30 2vvr s VAL 104 CO 0.12 0.08 -0.22 -0.22 0.00 0.00 0.00 175.10 174.85 2vvr s LEU 105 N 0.52 2.02 0.11 3.92 2.96 -0.60 -0.85 118.68 126.75 2vvr s LEU 105 Ca -0.05 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2vvr s LEU 105 Cb -0.07 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 2vvr s LEU 105 CO -0.01 0.21 -0.11 0.00 -1.32 0.00 0.00 176.35 175.11 2vvr s ALA 106 N -0.07 1.25 0.34 5.97 0.00 0.31 -1.19 121.76 128.37 2vvr s ALA 106 Ca -0.05 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 50.49 2vvr s ALA 106 Cb -0.13 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.03 2vvr s ALA 106 CO 0.03 -0.00 0.77 -0.59 0.00 0.00 0.00 175.76 175.97 2vvr s PHE 107 N -2.42 -0.01 -0.12 0.00 -0.71 -1.04 -2.83 117.98 110.84 2vvr s PHE 107 Ca 0.07 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 2vvr s PHE 107 Cb -0.03 0.78 0.00 0.00 -1.21 0.00 0.00 43.02 42.57 2vvr s PHE 107 CO 0.01 -1.42 -0.22 0.20 -1.34 0.00 0.00 175.22 172.45 2vvr s GLY 108 N -3.01 1.37 0.48 1.99 0.00 -1.17 -3.14 107.32 103.83 2vvr s GLY 108 Ca 0.14 -1.03 0.32 0.00 0.00 0.00 0.00 44.72 44.14 2vvr s GLY 108 CO 0.09 -0.15 1.94 1.48 0.00 0.00 0.00 173.10 176.46 2vvr h SER 109 N 7.04 0.00 -0.11 1.64 4.64 -0.69 -0.77 113.55 125.29 2vvr h SER 109 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2vvr h SER 109 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2vvr h SER 109 CO 0.52 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.02 2vvr n ARG 110 N -2.84 2.31 -0.06 4.77 5.12 -0.21 -4.55 116.66 121.21 2vvr n ARG 110 Ca 0.01 -1.93 -0.11 0.00 -1.93 0.00 0.00 57.85 53.89 2vvr n ARG 110 Cb 0.26 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.05 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 1.28 1.15 -4.10 1.55 0.31 -0.74 -5.03 118.33 112.75 2vvr n VAL 111 Ca 0.16 0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.17 2vvr n VAL 111 Cb 0.58 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 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 -2.42 4.70 0.81 2.52 -7.23 -0.37 -5.05 120.40 113.36 2vvr s VAL 112 Ca -0.20 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 2vvr s VAL 112 Cb 0.06 -3.15 0.11 0.00 0.56 0.00 0.00 36.38 33.95 2vvr s VAL 112 CO 0.27 0.34 1.16 -0.83 -0.31 0.00 0.00 175.10 175.73 2vvr s GLY 113 N -1.76 1.68 0.16 2.32 0.00 -1.26 -4.61 107.32 103.84 2vvr s GLY 113 Ca 0.23 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.88 2vvr s GLY 113 CO 0.14 -0.39 1.74 -2.00 0.00 0.00 0.00 173.10 172.59 2vvr h LEU 114 N -1.03 0.65 -0.26 0.66 5.85 -1.99 -1.06 115.31 118.13 2vvr h LEU 114 Ca -0.45 -0.12 -0.21 0.00 0.84 0.00 0.00 57.88 57.94 2vvr h LEU 114 Cb 1.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2vvr h LEU 114 CO 0.56 0.59 -0.82 -0.33 -0.34 0.00 0.00 178.44 178.10 2vvr h GLU 115 N 0.67 0.52 -0.40 1.25 4.39 -1.99 0.33 114.58 119.35 2vvr h GLU 115 Ca 0.17 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 2vvr h GLU 115 Cb 0.11 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2vvr h GLU 115 CO -0.02 1.10 0.24 1.25 -1.16 0.00 0.00 179.01 180.41 2vvr h LEU 116 N 0.34 0.49 -0.70 1.33 5.85 -1.95 -2.00 115.31 118.67 2vvr h LEU 116 Ca -0.06 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2vvr h LEU 116 Cb 1.42 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2vvr h LEU 116 CO 0.15 0.41 0.41 0.00 -0.34 0.00 0.00 178.44 179.07 2vvr h ALA 117 N 1.10 0.94 -1.00 1.25 0.00 -0.82 -0.29 119.26 120.45 2vvr h ALA 117 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2vvr h ALA 117 Cb 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2vvr h ALA 117 CO -0.03 0.12 0.66 0.87 0.00 0.00 0.00 179.25 180.87 2vvr h LYS 118 N 0.77 1.26 -0.45 0.00 1.57 -0.82 -0.76 116.57 118.14 2vvr h LYS 118 Ca 0.31 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 2vvr h LYS 118 Cb 0.14 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2vvr h LYS 118 CO -0.16 0.83 -0.17 1.98 -0.57 0.00 0.00 179.45 181.36 2vvr h MET 119 N 1.30 0.86 -0.46 3.15 4.05 -0.58 -1.32 114.93 121.92 2vvr h MET 119 Ca 0.39 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 2vvr h MET 119 Cb -0.06 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2vvr h MET 119 CO -0.11 0.96 0.22 0.82 0.23 0.00 0.00 176.91 179.03 2vvr h ILE 120 N 0.76 1.19 -0.36 1.77 2.04 -0.63 -1.51 117.51 120.77 2vvr h ILE 120 Ca 0.11 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.46 2vvr h ILE 120 Cb 0.69 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2vvr h ILE 120 CO 0.05 0.21 0.13 0.58 0.00 0.00 0.00 178.15 179.12 2vvr h VAL 121 N 0.61 0.90 -0.71 1.67 2.07 -0.99 -1.16 116.25 118.63 2vvr h VAL 121 Ca 0.16 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2vvr h VAL 121 Cb 0.13 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2vvr h VAL 121 CO -0.02 0.05 0.36 0.44 0.02 0.00 0.00 177.57 178.43 2vvr h ASP 122 N 0.28 0.91 -0.74 0.57 3.32 -1.09 -0.12 116.42 119.55 2vvr h ASP 122 Ca 0.16 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2vvr h ASP 122 Cb 0.14 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2vvr h ASP 122 CO -0.17 0.77 0.25 0.00 -1.72 0.00 0.00 179.24 178.37 2vvr h ALA 123 N 1.18 1.02 -0.03 3.45 0.00 -1.11 -0.10 119.26 123.68 2vvr h ALA 123 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2vvr h ALA 123 Cb 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2vvr h ALA 123 CO -0.04 0.66 -0.01 2.35 0.00 0.00 0.00 179.25 182.22 2vvr h TRP 124 N 1.10 0.06 0.00 0.00 7.01 -0.79 -2.93 115.95 120.41 2vvr h TRP 124 Ca 0.24 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.15 2vvr h TRP 124 Cb 0.29 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 2vvr h TRP 124 CO 0.02 0.43 -0.37 -0.07 -2.79 0.00 0.00 178.44 175.67 2vvr h LEU 125 N -0.32 0.00 -0.15 0.65 3.38 -1.00 -3.00 115.31 114.87 2vvr h LEU 125 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2vvr h LEU 125 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2vvr h LEU 125 CO 0.00 0.37 0.00 1.23 0.09 0.00 0.00 178.44 180.13 2vvr h GLY 126 N 1.20 0.00 -3.55 0.83 0.00 -1.01 -3.46 103.07 97.08 2vvr h GLY 126 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 2vvr h GLY 126 CO 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.52 2vvr s ALA 127 N -3.20 3.52 -0.07 3.60 0.00 -1.11 -5.07 121.76 119.44 2vvr s ALA 127 Ca 0.08 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2vvr s ALA 127 Cb 0.09 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 2vvr s ALA 127 CO 0.61 0.47 -0.22 -1.14 0.00 0.00 0.00 175.76 175.47 2vvr s GLN 128 N -2.70 2.66 0.10 0.00 0.74 -1.26 -4.87 119.66 114.32 2vvr s GLN 128 Ca 0.47 -0.85 -0.32 0.00 0.05 0.00 0.00 55.36 54.71 2vvr s GLN 128 Cb -0.12 -2.25 -0.11 0.00 1.10 0.00 0.00 33.01 31.63 2vvr s GLN 128 CO 0.20 0.39 1.83 0.98 -0.55 0.00 0.00 175.29 178.14 2vvr n TYR 129 N 2.95 2.55 1.35 1.67 9.36 -1.24 -3.96 117.16 129.84 2vvr n TYR 129 Ca -0.18 -0.11 0.14 0.00 3.32 0.00 0.00 57.90 61.07 2vvr n TYR 129 Cb 0.52 -2.71 0.48 0.00 -0.63 0.00 0.00 39.34 37.00 2vvr n TYR 129 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2vvr n GLU 130 N 5.68 0.95 0.00 2.98 1.02 0.88 -4.97 120.64 127.18 2vvr n GLU 130 Ca 0.19 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2vvr n GLU 130 Cb 0.36 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.29 2.94 7.00 0.62 0.00 -1.26 -4.81 105.19 110.97 2vvr n GLY 131 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 3.24 0.26 -0.02 0.00 -1.26 -1.75 105.19 105.66 2vvr n GLY 132 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.48 114.38 111.60 2vvr h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 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 0.01 0.00 0.45 0.10 0.00 0.00 179.97 180.53 2vvr h HIS 134 N 0.00 0.00 -0.30 4.08 -0.00 -1.66 -3.30 115.15 113.96 2vvr h HIS 134 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2vvr h HIS 134 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 2vvr h HIS 134 CO 0.00 0.00 0.12 0.37 -0.00 0.00 0.00 177.93 178.42 2vvr h GLN 135 N 0.00 0.45 -0.63 2.45 5.75 -1.49 -1.41 115.11 120.23 2vvr h GLN 135 Ca 0.00 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2vvr h GLN 135 Cb 0.51 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2vvr h GLN 135 CO 0.00 0.47 0.41 1.96 -2.65 0.00 0.00 178.83 179.03 2vvr h GLN 136 N 0.34 0.81 -0.15 1.69 4.20 -1.77 0.69 115.11 120.91 2vvr h GLN 136 Ca 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2vvr h GLN 136 Cb 0.19 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2vvr h GLN 136 CO -0.01 0.53 0.03 0.00 -0.67 0.00 0.00 178.83 178.72 2vvr h ARG 137 N 0.83 0.25 -0.85 1.46 3.08 -1.65 -1.39 114.38 116.11 2vvr h ARG 137 Ca 0.23 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2vvr h ARG 137 Cb -0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2vvr h ARG 137 CO -0.05 0.42 0.55 0.28 -1.07 0.00 0.00 179.97 180.10 2vvr h VAL 138 N 0.04 1.23 -0.68 2.04 2.07 -0.68 -1.68 116.25 118.59 2vvr h VAL 138 Ca 0.05 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2vvr h VAL 138 Cb 0.29 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 2vvr h VAL 138 CO 0.00 0.22 0.45 -0.33 0.02 0.00 0.00 177.57 177.93 2vvr h GLU 139 N 1.16 0.88 -0.71 1.57 5.08 -0.79 -1.50 114.58 120.27 2vvr h GLU 139 Ca 0.31 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2vvr h GLU 139 Cb -0.11 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 28.91 2vvr h GLU 139 CO -0.06 0.58 0.47 0.00 -1.00 0.00 0.00 179.01 179.00 2vvr h ALA 140 N 1.58 1.52 -0.11 3.43 0.00 -0.31 -1.66 119.26 123.71 2vvr h ALA 140 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2vvr h ALA 140 Cb -0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2vvr h ALA 140 CO -0.06 0.44 0.05 0.82 0.00 0.00 0.00 179.25 180.50 2vvr h ILE 141 N 0.94 1.14 -0.57 0.00 2.04 -0.91 -2.50 117.51 117.64 2vvr h ILE 141 Ca 0.26 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2vvr h ILE 141 Cb -0.08 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2vvr h ILE 141 CO -0.06 0.12 0.23 0.74 0.00 0.00 0.00 178.15 179.18 2vvr h THR 142 N 0.03 0.84 -0.95 -0.27 2.02 -1.28 -1.74 112.91 111.56 2vvr h THR 142 Ca 0.04 -0.15 0.16 0.00 0.77 0.00 0.00 66.41 67.22 2vvr h THR 142 Cb 0.15 0.36 -0.10 0.00 -1.74 0.00 0.00 68.15 66.83 2vvr h THR 142 CO -0.00 0.08 0.56 0.00 0.37 0.00 0.00 175.52 176.53 2vvr h ALA 143 N 1.36 1.49 -0.83 6.16 0.00 -1.10 -0.33 119.26 126.01 2vvr h ALA 143 Ca 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2vvr h ALA 143 Cb 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2vvr h ALA 143 CO -0.25 0.02 0.48 0.82 0.00 0.00 0.00 179.25 180.32 2vvr h ILE 144 N 0.78 1.24 -0.25 0.00 2.04 -0.87 -2.88 117.51 117.57 2vvr h ILE 144 Ca 0.52 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2vvr h ILE 144 Cb 0.70 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2vvr h ILE 144 CO -0.34 0.25 0.12 -0.33 0.00 0.00 0.00 178.15 177.85 2vvr h GLU 145 N 1.15 0.36 -1.16 2.37 5.08 -0.85 -3.26 114.58 118.27 2vvr h GLU 145 Ca 0.30 -0.05 -0.54 0.00 -1.00 0.00 0.00 59.36 58.07 2vvr h GLU 145 Cb -0.02 -0.06 -0.24 0.00 0.50 0.00 0.00 28.75 28.93 2vvr h GLU 145 CO -0.05 0.36 0.69 1.04 -1.00 0.00 0.00 179.01 180.05 2vvr n GLN 146 N -4.82 2.33 0.00 2.33 6.02 -0.76 -5.09 117.38 117.39 2vvr n GLN 146 Ca -0.03 -2.65 0.05 0.00 -0.01 0.00 0.00 57.00 54.37 2vvr n GLN 146 Cb 0.10 -2.04 0.05 0.00 1.02 0.00 0.00 30.24 29.37 2vvr n GLN 146 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94