#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vrr s ARG 2 N 0.00 1.29 -0.87 0.03 1.70 -1.26 -3.22 118.95 116.61 1vrr s ARG 2 Ca 0.00 -0.42 -0.25 0.00 -0.47 0.00 0.00 55.73 54.59 1vrr s ARG 2 Cb 0.00 -1.16 -0.00 0.00 -0.57 0.00 0.00 34.95 33.22 1vrr s ARG 2 CO 0.00 0.16 1.69 0.42 -1.08 0.00 0.00 175.30 176.49 1vrr s ILE 3 N 0.16 3.62 0.04 4.99 1.09 -1.26 -2.76 121.20 127.08 1vrr s ILE 3 Ca -0.04 -0.31 -0.19 0.00 -1.10 0.00 0.00 60.65 59.01 1vrr s ILE 3 Cb -0.10 -4.45 -0.16 0.00 -1.06 0.00 0.00 42.46 36.69 1vrr s ILE 3 CO 0.01 -1.37 1.27 0.58 -0.10 0.00 0.00 174.94 175.33 1vrr h VAL 4 N 6.90 1.37 -3.97 2.92 2.07 -1.86 -3.46 116.25 120.22 1vrr h VAL 4 Ca 0.03 -1.60 -0.36 0.00 0.82 0.00 0.00 66.70 65.59 1vrr h VAL 4 Cb 1.04 2.06 -0.22 0.00 -1.52 0.00 0.00 31.29 32.65 1vrr h VAL 4 CO 1.29 0.48 -0.76 -1.61 0.02 0.00 0.00 177.57 176.98 1vrr s GLU 5 N -3.93 0.70 -0.15 1.57 0.41 -1.10 -5.00 118.70 111.19 1vrr s GLU 5 Ca -0.14 -0.80 -0.05 0.00 -0.41 0.00 0.00 54.97 53.58 1vrr s GLU 5 Cb 0.05 -0.61 0.07 0.00 -1.78 0.00 0.00 34.13 31.87 1vrr s GLU 5 CO 0.79 0.13 0.28 0.54 -0.49 0.00 0.00 175.26 176.52 1vrr s VAL 6 N -1.17 -0.45 -0.06 2.63 0.11 -1.26 -0.06 120.40 120.14 1vrr s VAL 6 Ca -0.04 0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 1vrr s VAL 6 Cb -0.09 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1vrr s VAL 6 CO 0.01 0.07 -0.14 -0.47 -3.33 0.00 0.00 175.10 171.24 1vrr s TYR 7 N 2.44 2.72 -0.30 1.54 5.04 0.75 -4.99 117.35 124.54 1vrr s TYR 7 Ca 0.02 -0.20 -0.03 0.00 -2.44 0.00 0.00 57.07 54.42 1vrr s TYR 7 Cb -0.13 -1.65 0.04 0.00 0.35 0.00 0.00 41.96 40.58 1vrr s TYR 7 CO -0.10 0.15 0.02 0.45 -1.34 0.00 0.00 175.55 174.73 1vrr s SER 8 N -0.63 4.93 -0.10 4.32 0.15 -1.26 -0.91 113.70 120.20 1vrr s SER 8 Ca 0.09 -1.19 -0.18 0.00 0.70 0.00 0.00 55.95 55.38 1vrr s SER 8 Cb -0.11 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1vrr s SER 8 CO 0.01 -0.26 0.47 -2.28 1.20 0.00 0.00 173.24 172.38 1vrr s HIS 9 N 1.30 3.55 -1.60 3.44 2.46 -0.01 -4.25 115.29 120.17 1vrr s HIS 9 Ca -0.04 0.91 -0.07 0.00 0.47 0.00 0.00 55.06 56.33 1vrr s HIS 9 Cb -0.19 -2.52 0.07 0.00 -0.13 0.00 0.00 32.58 29.81 1vrr s HIS 9 CO -0.00 0.24 0.31 1.28 -2.47 0.00 0.00 174.74 174.10 1vrr n LEU 10 N 3.38 -1.33 -3.07 8.88 4.77 -1.26 -1.12 117.00 127.24 1vrr n LEU 10 Ca -0.08 -1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 54.50 1vrr n LEU 10 Cb 0.52 -1.81 0.04 0.00 -2.33 0.00 0.00 43.42 39.84 1vrr n LEU 10 CO 0.42 0.37 0.02 0.59 -1.33 0.00 0.00 177.39 177.46 1vrr n ASN 11 N -2.80 -6.16 -0.11 -1.43 5.03 -1.26 -4.64 115.26 103.89 1vrr n ASN 11 Ca -0.19 -0.31 -0.04 0.00 0.87 0.00 0.00 54.58 54.91 1vrr n ASN 11 Cb 0.62 -4.96 0.17 0.00 -1.02 0.00 0.00 39.78 34.59 1vrr n ASN 11 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1vrr h GLY 12 N -1.49 0.85 0.53 7.41 0.00 -1.19 -2.57 103.07 106.60 1vrr h GLY 12 Ca -0.54 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.17 1vrr h GLY 12 CO 0.57 0.52 -0.26 -2.00 0.00 0.00 0.00 176.54 175.37 1vrr h LEU 13 N 0.74 0.27 -2.26 3.11 5.85 -1.85 -3.14 115.31 118.04 1vrr h LEU 13 Ca 0.15 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.18 1vrr h LEU 13 Cb 0.43 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1vrr h LEU 13 CO 0.02 0.95 0.14 1.05 -0.34 0.00 0.00 178.44 180.26 1vrr h GLU 14 N -0.39 0.00 -0.17 1.25 9.09 -1.95 0.00 114.58 122.40 1vrr h GLU 14 Ca -0.03 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.33 1vrr h GLU 14 Cb 0.97 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.07 1vrr h GLU 14 CO 0.05 0.00 -0.12 -0.92 0.05 0.00 0.00 179.01 178.07 1vrr h TYR 15 N 0.00 0.45 -0.15 2.06 3.20 -1.44 -2.46 116.97 118.62 1vrr h TYR 15 Ca 0.07 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1vrr h TYR 15 Cb 0.35 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1vrr h TYR 15 CO 0.00 0.72 0.08 0.82 -1.64 0.00 0.00 178.16 178.15 1vrr h ILE 16 N 0.04 1.10 -1.00 1.81 2.04 -1.02 -1.80 117.51 118.69 1vrr h ILE 16 Ca 0.03 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 65.76 1vrr h ILE 16 Cb 0.63 1.01 -0.09 0.00 -0.74 0.00 0.00 36.82 37.63 1vrr h ILE 16 CO 0.03 0.09 0.62 1.56 0.00 0.00 0.00 178.15 180.46 1vrr h GLN 17 N 0.14 0.88 0.00 2.37 4.20 -1.11 0.67 115.11 122.26 1vrr h GLN 17 Ca 0.05 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 1vrr h GLN 17 Cb 0.08 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1vrr h GLN 17 CO -0.01 0.58 -1.26 0.28 -0.67 0.00 0.00 178.83 177.75 1vrr h VAL 18 N 0.91 1.25 0.00 -0.54 2.07 -1.32 -3.26 116.25 115.36 1vrr h VAL 18 Ca 0.52 -2.98 -0.09 0.00 0.82 0.00 0.00 66.70 64.97 1vrr h VAL 18 Cb 0.63 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1vrr h VAL 18 CO -0.30 0.71 -1.63 1.41 0.02 0.00 0.00 177.57 177.78 1vrr n HIS 19 N -3.20 0.00 -2.72 1.57 8.25 -0.69 -4.74 115.22 113.70 1vrr n HIS 19 Ca -0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.33 1vrr n HIS 19 Cb 0.96 -0.39 0.04 0.00 1.12 0.00 0.00 29.99 31.72 1vrr n HIS 19 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vrr n LEU 20 N -2.13 1.63 -0.57 2.41 4.77 0.22 -4.93 117.00 118.41 1vrr n LEU 20 Ca -0.09 -3.47 0.45 0.00 -0.03 0.00 0.00 56.01 52.87 1vrr n LEU 20 Cb 0.55 0.42 0.75 0.00 -2.33 0.00 0.00 43.42 42.81 1vrr n LEU 20 CO 0.24 1.36 1.37 1.55 -1.33 0.00 0.00 177.39 180.59 1vrr h PRO 21 N 2.81 0.02 -0.05 3.23 0.13 -1.36 1.07 132.00 137.85 1vrr h PRO 21 Ca -0.10 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 1vrr h PRO 21 Cb 1.22 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1vrr h PRO 21 CO 0.38 0.02 -0.47 1.12 -0.23 0.00 0.00 178.00 178.81 1vrr h HIS 22 N 0.03 0.15 -0.54 1.56 2.07 -1.90 -2.75 115.15 113.76 1vrr h HIS 22 Ca 0.86 -0.04 -0.03 0.00 -2.85 0.00 0.00 60.37 58.31 1vrr h HIS 22 Cb 3.17 -0.03 -0.02 0.00 2.57 0.00 0.00 27.41 33.10 1vrr h HIS 22 CO -0.00 0.57 0.22 0.82 -3.07 0.00 0.00 177.93 176.47 1vrr h ILE 23 N 0.10 1.22 -0.55 6.12 1.08 0.85 0.81 117.51 127.14 1vrr h ILE 23 Ca 0.00 -0.67 0.03 0.00 -0.39 0.00 0.00 64.86 63.83 1vrr h ILE 23 Cb 0.87 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1vrr h ILE 23 CO 0.07 0.26 0.33 -0.25 -0.69 0.00 0.00 178.15 177.87 1vrr h TRP 24 N 0.74 0.62 0.52 1.37 -0.00 -1.40 0.11 115.95 117.91 1vrr h TRP 24 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1vrr h TRP 24 Cb 0.19 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 1vrr h TRP 24 CO 0.01 0.36 -0.36 0.93 -0.00 0.00 0.00 178.44 179.37 1vrr h GLU 25 N 0.66 -0.83 -0.64 2.65 3.07 -1.17 -1.80 114.58 116.53 1vrr h GLU 25 Ca 0.22 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.24 1vrr h GLU 25 Cb 0.02 0.19 -0.12 0.00 -0.84 0.00 0.00 28.75 28.00 1vrr h GLU 25 CO -0.10 -0.55 -0.39 1.49 -1.40 0.00 0.00 179.01 178.06 1vrr h GLU 26 N -0.86 -0.16 -0.29 2.33 4.81 -0.31 0.21 114.58 120.30 1vrr h GLU 26 Ca -0.06 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1vrr h GLU 26 Cb 0.72 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1vrr h GLU 26 CO 0.03 -0.11 0.07 0.82 -0.73 0.00 0.00 179.01 179.10 1vrr h ILE 27 N -0.17 0.88 -0.03 2.32 2.04 -0.66 0.72 117.51 122.61 1vrr h ILE 27 Ca 0.22 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1vrr h ILE 27 Cb 0.56 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1vrr h ILE 27 CO -0.72 0.03 0.02 1.56 0.00 0.00 0.00 178.15 179.04 1vrr h GLN 28 N 0.19 0.04 0.04 2.37 4.20 -0.36 -1.58 115.11 120.02 1vrr h GLN 28 Ca 0.13 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1vrr h GLN 28 Cb 0.13 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1vrr h GLN 28 CO -0.16 0.03 -0.28 0.93 -0.67 0.00 0.00 178.83 178.68 1vrr h GLU 29 N 0.03 -0.44 -0.63 1.46 5.08 -0.31 -0.64 114.58 119.13 1vrr h GLU 29 Ca 0.01 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 1vrr h GLU 29 Cb 0.00 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 1vrr h GLU 29 CO -0.00 -0.29 0.12 0.82 -1.00 0.00 0.00 179.01 178.65 1vrr h ILE 30 N -0.45 0.59 -0.22 3.13 2.04 -0.68 -0.67 117.51 121.25 1vrr h ILE 30 Ca 0.05 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1vrr h ILE 30 Cb 0.52 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1vrr h ILE 30 CO -0.22 0.04 0.10 0.40 0.00 0.00 0.00 178.15 178.48 1vrr h ILE 31 N 0.24 1.14 0.00 -0.67 2.04 -0.63 -2.88 117.51 116.75 1vrr h ILE 31 Ca 0.34 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1vrr h ILE 31 Cb 0.53 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1vrr h ILE 31 CO -0.45 0.14 -0.11 1.62 0.00 0.00 0.00 178.15 179.35 1vrr h VAL 32 N 0.22 0.87 0.00 1.67 3.04 -0.23 -1.50 116.25 120.32 1vrr h VAL 32 Ca 0.07 -0.40 -0.16 0.00 -1.01 0.00 0.00 66.70 65.20 1vrr h VAL 32 Cb 0.12 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.61 1vrr h VAL 32 CO -0.01 0.11 -0.76 0.77 -1.01 0.00 0.00 177.57 176.67 1vrr h SER 33 N 0.00 0.00 -3.06 3.17 4.64 -0.94 -2.38 113.55 114.97 1vrr h SER 33 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1vrr h SER 33 Cb 0.22 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1vrr h SER 33 CO 0.01 0.76 0.76 -0.63 -0.87 0.00 0.00 176.83 176.86 1vrr s ILE 34 N -3.27 3.03 -0.64 0.95 1.01 -1.14 -4.69 121.20 116.46 1vrr s ILE 34 Ca -0.00 0.77 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 1vrr s ILE 34 Cb 0.12 -3.49 0.11 0.00 0.01 0.00 0.00 42.46 39.21 1vrr s ILE 34 CO 0.78 0.08 0.74 -0.62 0.00 0.00 0.00 174.94 175.93 1vrr s ASP 35 N 0.90 6.26 0.33 3.58 -1.08 -1.26 0.95 116.67 126.35 1vrr s ASP 35 Ca 0.64 -1.57 0.01 0.00 -0.52 0.00 0.00 52.55 51.11 1vrr s ASP 35 Cb -0.39 -2.30 0.56 0.00 -1.46 0.00 0.00 42.92 39.33 1vrr s ASP 35 CO 0.33 -1.08 1.98 0.00 0.52 0.00 0.00 175.17 176.93 1vrr h ALA 36 N 9.06 1.48 -0.06 3.66 0.00 -1.93 -2.02 119.26 129.46 1vrr h ALA 36 Ca -0.23 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1vrr h ALA 36 Cb 1.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1vrr h ALA 36 CO 1.08 0.46 0.04 1.49 0.00 0.00 0.00 179.25 182.33 1vrr h GLU 37 N 0.92 0.00 0.00 0.00 4.57 -1.90 0.41 114.58 118.57 1vrr h GLU 37 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1vrr h GLU 37 Cb -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1vrr h GLU 37 CO -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.78 1vrr h ALA 38 N 1.97 1.00 -0.52 2.92 0.00 -1.78 -2.85 119.26 119.99 1vrr h ALA 38 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vrr h ALA 38 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vrr h ALA 38 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1vrr n ARG 40 N 1.33 3.34 0.00 0.00 0.63 -1.08 -0.47 116.66 120.42 1vrr n ARG 40 Ca 0.20 -3.46 0.00 0.00 -0.92 0.00 0.00 57.85 53.67 1vrr n ARG 40 Cb 0.55 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 30.33 1vrr n ARG 40 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1vrr n THR 41 N 4.60 0.00 -2.22 5.15 -2.24 -1.17 -4.86 114.28 113.53 1vrr n THR 41 Ca 0.42 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.78 1vrr n THR 41 Cb 0.41 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1vrr n THR 41 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1vrr s LYS 42 N -1.90 4.28 -0.52 -0.78 2.47 -1.15 -4.90 119.74 117.23 1vrr s LYS 42 Ca 0.00 1.97 -0.17 0.00 -1.56 0.00 0.00 55.97 56.21 1vrr s LYS 42 Cb 0.00 -3.56 0.09 0.00 -1.46 0.00 0.00 37.83 32.90 1vrr s LYS 42 CO 0.00 -0.57 0.53 -1.21 0.16 0.00 0.00 175.35 174.26 1vrr s GLU 43 N 2.35 3.02 0.46 4.03 2.02 -1.26 -0.86 118.70 128.47 1vrr s GLU 43 Ca 0.64 -1.38 -0.22 0.00 0.02 0.00 0.00 54.97 54.03 1vrr s GLU 43 Cb -0.32 -4.21 -0.10 0.00 0.10 0.00 0.00 34.13 29.60 1vrr s GLU 43 CO 0.27 -1.26 0.73 0.45 0.02 0.00 0.00 175.26 175.46 1vrr n SER 44 N 5.61 -0.09 0.00 -0.19 2.88 -0.90 -4.91 113.62 116.02 1vrr n SER 44 Ca -0.11 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1vrr n SER 44 Cb 0.43 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1vrr n SER 44 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1vrr n LYS 45 N 0.18 2.14 -2.38 -1.46 5.02 -1.26 -4.08 118.16 116.33 1vrr n LYS 45 Ca 0.11 -1.24 -0.35 0.00 -2.02 0.00 0.00 58.31 54.81 1vrr n LYS 45 Cb 0.42 -0.93 -0.01 0.00 -0.02 0.00 0.00 35.03 34.48 1vrr n LYS 45 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vrr s GLU 46 N -0.75 3.56 0.51 1.97 2.02 -1.26 -4.92 118.70 119.83 1vrr s GLU 46 Ca 0.00 1.52 0.18 0.00 0.02 0.00 0.00 54.97 56.69 1vrr s GLU 46 Cb 0.00 -2.06 1.28 0.00 0.10 0.00 0.00 34.13 33.45 1vrr s GLU 46 CO 0.00 -0.66 2.11 1.57 0.02 0.00 0.00 175.26 178.30 1vrr h LYS 47 N 1.39 0.00 0.00 1.61 5.09 -2.00 -2.33 116.57 120.33 1vrr h LYS 47 Ca -0.50 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.06 1vrr h LYS 47 Cb 1.24 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.55 1vrr h LYS 47 CO 0.58 0.07 -1.07 1.79 -2.09 0.00 0.00 179.45 178.73 1vrr h THR 48 N 0.00 1.07 -0.31 0.07 1.35 -2.01 -3.34 112.91 109.74 1vrr h THR 48 Ca -0.00 -2.66 -0.04 0.00 -0.55 0.00 0.00 66.41 63.16 1vrr h THR 48 Cb 0.13 2.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.01 1vrr h THR 48 CO 0.01 0.61 0.01 0.29 -0.25 0.00 0.00 175.52 176.19 1vrr n LYS 49 N -3.17 2.86 -1.05 4.72 5.02 -1.11 -5.05 118.16 120.38 1vrr n LYS 49 Ca -0.04 -2.92 -0.40 0.00 -2.02 0.00 0.00 58.31 52.93 1vrr n LYS 49 Cb 0.88 -1.88 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1vrr n LYS 49 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1vrr n GLN 50 N -0.56 0.00 -3.89 1.97 -0.06 -0.90 -2.09 117.38 111.85 1vrr n GLN 50 Ca 0.24 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.97 1vrr n GLN 50 Cb 0.95 -1.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.15 1vrr n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1vrr n GLY 51 N 1.13 -0.37 3.41 1.69 0.00 -1.26 -5.00 105.19 104.79 1vrr n GLY 51 Ca 0.14 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 1vrr n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vrr s GLN 52 N -6.44 1.46 -0.33 1.61 0.74 -0.89 -5.03 119.66 110.78 1vrr s GLN 52 Ca 0.33 -1.45 -0.08 0.00 0.05 0.00 0.00 55.36 54.22 1vrr s GLN 52 Cb -0.17 -1.86 0.03 0.00 1.10 0.00 0.00 33.01 32.11 1vrr s GLN 52 CO 0.85 0.42 0.12 0.42 -0.55 0.00 0.00 175.29 176.55 1vrr s ILE 53 N -1.41 4.03 0.43 -2.34 -1.09 -1.26 -2.12 121.20 117.44 1vrr s ILE 53 Ca 0.18 -0.92 0.08 0.00 -2.23 0.00 0.00 60.65 57.76 1vrr s ILE 53 Cb -0.09 -3.21 -0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1vrr s ILE 53 CO 0.08 -0.10 0.48 -0.76 -1.23 0.00 0.00 174.94 173.40 1vrr s LEU 54 N 1.47 3.47 0.25 2.97 1.43 -0.04 -4.99 118.68 123.24 1vrr s LEU 54 Ca 0.01 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 1vrr s LEU 54 Cb -0.19 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 1vrr s LEU 54 CO 0.04 -0.74 0.88 -0.31 0.23 0.00 0.00 176.35 176.44 1vrr s TYR 55 N -2.44 3.84 -0.23 0.29 1.51 -0.89 -2.94 117.35 116.49 1vrr s TYR 55 Ca 0.51 1.74 -0.18 0.00 -1.01 0.00 0.00 57.07 58.14 1vrr s TYR 55 Cb -0.06 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 38.89 1vrr s TYR 55 CO 0.30 0.38 0.49 0.45 -1.11 0.00 0.00 175.55 176.06 1vrr s SER 56 N -1.37 6.47 0.43 2.29 0.15 0.38 -4.69 113.70 117.37 1vrr s SER 56 Ca 0.43 0.56 0.13 0.00 0.70 0.00 0.00 55.95 57.77 1vrr s SER 56 Cb -0.22 -2.27 0.94 0.00 -1.71 0.00 0.00 66.02 62.76 1vrr s SER 56 CO 0.27 -0.21 1.97 1.55 1.20 0.00 0.00 173.24 178.02 1vrr h PRO 57 N 7.72 0.06 -0.34 5.44 0.13 -1.92 0.85 132.00 143.93 1vrr h PRO 57 Ca -0.32 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 1vrr h PRO 57 Cb 1.15 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1vrr h PRO 57 CO 0.72 0.23 0.04 0.28 -0.23 0.00 0.00 178.00 179.05 1vrr h VAL 58 N 0.06 1.24 -0.09 1.56 2.07 -1.95 0.47 116.25 119.61 1vrr h VAL 58 Ca 0.01 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1vrr h VAL 58 Cb 0.34 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1vrr h VAL 58 CO 0.02 0.29 -0.08 0.00 0.02 0.00 0.00 177.57 177.83 1vrr h ALA 59 N 0.89 0.13 -0.45 1.67 0.00 -1.66 -2.04 119.26 117.79 1vrr h ALA 59 Ca 0.10 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1vrr h ALA 59 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1vrr h ALA 59 CO 0.01 -0.06 0.30 -0.07 0.00 0.00 0.00 179.25 179.43 1vrr h LEU 60 N -0.20 0.42 -0.12 0.00 3.38 -0.82 -0.36 115.31 117.61 1vrr h LEU 60 Ca 0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1vrr h LEU 60 Cb 0.58 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1vrr h LEU 60 CO 0.02 0.29 -0.30 0.78 0.09 0.00 0.00 178.44 179.32 1vrr h ASN 61 N 0.49 0.47 -0.97 -0.43 -0.26 -0.80 -2.34 115.58 111.74 1vrr h ASN 61 Ca 0.18 -0.58 0.05 0.00 -0.56 0.00 0.00 56.30 55.39 1vrr h ASN 61 Cb 0.12 -0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 37.18 1vrr h ASN 61 CO -0.04 0.97 0.63 -0.33 -1.06 0.00 0.00 177.43 177.60 1vrr h GLU 62 N -0.00 1.14 -0.25 0.81 5.08 -0.77 0.18 114.58 120.77 1vrr h GLU 62 Ca -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1vrr h GLU 62 Cb 0.91 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1vrr h GLU 62 CO 0.07 0.76 0.13 0.00 -1.00 0.00 0.00 179.01 178.96 1vrr h ALA 63 N 1.45 0.32 -0.43 3.43 0.00 -1.02 -2.23 119.26 120.78 1vrr h ALA 63 Ca 0.40 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1vrr h ALA 63 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vrr h ALA 63 CO -0.14 -0.14 -0.03 0.74 0.00 0.00 0.00 179.25 179.68 1vrr h PHE 64 N 0.27 0.85 0.60 0.00 -1.00 -0.80 -2.85 116.94 114.03 1vrr h PHE 64 Ca 0.09 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.68 1vrr h PHE 64 Cb 0.10 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 1vrr h PHE 64 CO -0.03 0.85 -0.36 -0.22 -1.61 0.00 0.00 178.31 176.95 1vrr h LYS 65 N 0.61 -0.87 -0.65 1.51 3.64 -0.60 0.93 116.57 121.14 1vrr h LYS 65 Ca 0.12 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1vrr h LYS 65 Cb 0.54 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 32.44 1vrr h LYS 65 CO 0.03 -0.58 -0.42 1.49 -2.27 0.00 0.00 179.45 177.70 1vrr h GLU 66 N -0.90 -0.17 0.20 1.90 4.81 -1.49 0.23 114.58 119.16 1vrr h GLU 66 Ca -0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1vrr h GLU 66 Cb 0.72 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1vrr h GLU 66 CO 0.09 -0.11 -0.10 0.87 -0.73 0.00 0.00 179.01 179.03 1vrr h LYS 67 N -0.18 -0.26 -0.40 1.92 1.79 -1.45 -2.06 116.57 115.93 1vrr h LYS 67 Ca 0.21 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1vrr h LYS 67 Cb 0.56 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1vrr h LYS 67 CO -0.74 -0.17 0.16 -0.07 -1.08 0.00 0.00 179.45 177.56 1vrr h LEU 68 N -0.28 0.55 -0.76 2.94 3.38 -0.10 -2.72 115.31 118.31 1vrr h LEU 68 Ca -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1vrr h LEU 68 Cb 0.21 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1vrr h LEU 68 CO 0.05 0.56 0.43 -0.33 0.09 0.00 0.00 178.44 179.23 1vrr h GLU 69 N 0.50 1.06 -0.23 1.13 5.08 -0.60 -0.47 114.58 121.06 1vrr h GLU 69 Ca 0.13 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1vrr h GLU 69 Cb 0.18 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1vrr h GLU 69 CO -0.01 0.78 0.26 0.00 -1.00 0.00 0.00 179.01 179.04 1vrr h ALA 70 N 1.22 1.85 -0.13 3.43 0.00 -1.07 0.19 119.26 124.75 1vrr h ALA 70 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1vrr h ALA 70 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vrr h ALA 70 CO -0.04 -0.37 0.00 1.63 0.00 0.00 0.00 179.25 180.46 1vrr n LYS 71 N -3.75 1.95 0.00 0.00 4.76 -0.23 -4.93 118.16 115.96 1vrr n LYS 71 Ca 0.03 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.06 1vrr n LYS 71 Cb 0.39 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1vrr n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vrr n GLY 72 N 1.25 0.50 3.65 0.72 0.00 0.66 -5.06 105.19 106.91 1vrr n GLY 72 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1vrr n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vrr s TRP 73 N -2.00 2.56 0.33 1.61 0.52 -0.92 -4.90 118.94 116.14 1vrr s TRP 73 Ca 0.00 0.77 0.08 0.00 0.02 0.00 0.00 56.10 56.97 1vrr s TRP 73 Cb 0.00 -3.72 -0.04 0.00 -1.15 0.00 0.00 33.47 28.57 1vrr s TRP 73 CO 0.00 -2.27 0.19 0.15 0.02 0.00 0.00 176.95 175.04 1vrr s LYS 74 N 3.88 2.50 0.43 4.98 -0.14 -1.04 -4.09 119.74 126.27 1vrr s LYS 74 Ca 0.61 -1.44 -0.12 0.00 -1.36 0.00 0.00 55.97 53.65 1vrr s LYS 74 Cb -0.23 -2.28 -0.07 0.00 -1.68 0.00 0.00 37.83 33.56 1vrr s LYS 74 CO 0.21 0.13 0.83 -1.83 -0.76 0.00 0.00 175.35 173.93 1vrr s GLU 75 N -3.88 3.83 -0.02 1.68 -1.05 -1.17 -0.35 118.70 117.74 1vrr s GLU 75 Ca 0.38 0.61 0.02 0.00 -0.15 0.00 0.00 54.97 55.83 1vrr s GLU 75 Cb -0.04 -2.32 0.00 0.00 -0.44 0.00 0.00 34.13 31.33 1vrr s GLU 75 CO 0.24 -0.10 -0.06 0.45 0.95 0.00 0.00 175.26 176.75 1vrr s SER 76 N -3.10 0.77 -0.02 0.83 0.15 -0.68 -4.91 113.70 106.74 1vrr s SER 76 Ca 0.53 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 57.09 1vrr s SER 76 Cb -0.10 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1vrr s SER 76 CO 0.31 0.04 -0.05 -0.60 1.20 0.00 0.00 173.24 174.13 1vrr s ARG 77 N 0.18 0.63 -0.23 5.44 3.52 -1.26 -2.44 118.95 124.79 1vrr s ARG 77 Ca -0.02 -0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 1vrr s ARG 77 Cb -0.06 -0.64 0.04 0.00 -1.56 0.00 0.00 34.95 32.72 1vrr s ARG 77 CO -0.00 0.02 -0.12 0.99 -0.81 0.00 0.00 175.30 175.37 1vrr s THR 78 N 0.42 2.36 0.08 4.11 2.01 -0.69 -4.98 115.64 118.95 1vrr s THR 78 Ca -0.05 -1.20 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 1vrr s THR 78 Cb -0.09 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1vrr s THR 78 CO -0.00 0.24 0.32 0.20 -0.69 0.00 0.00 174.62 174.69 1vrr s ASN 79 N 1.24 6.49 0.25 3.53 -0.87 -1.26 -1.83 114.94 122.49 1vrr s ASN 79 Ca -0.01 0.56 -0.22 0.00 -1.57 0.00 0.00 52.86 51.62 1vrr s ASN 79 Cb -0.17 -2.08 0.03 0.00 -0.02 0.00 0.00 41.25 39.02 1vrr s ASN 79 CO -0.08 0.15 0.79 -0.72 -2.57 0.00 0.00 177.10 174.67 1vrr s TYR 80 N -1.49 -0.16 0.01 2.20 -0.85 -1.07 -4.67 117.35 111.31 1vrr s TYR 80 Ca 0.35 -0.27 0.08 0.00 -0.52 0.00 0.00 57.07 56.71 1vrr s TYR 80 Cb -0.13 0.70 -0.02 0.00 0.38 0.00 0.00 41.96 42.89 1vrr s TYR 80 CO 0.22 -1.15 -0.26 0.71 -1.52 0.00 0.00 175.55 173.55 1vrr s TYR 81 N -3.67 2.27 0.22 -3.49 1.51 -1.26 -1.00 117.35 111.93 1vrr s TYR 81 Ca 0.12 -0.42 0.11 0.00 -1.01 0.00 0.00 57.07 55.87 1vrr s TYR 81 Cb -0.05 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 1vrr s TYR 81 CO 0.06 0.02 -0.20 0.14 -1.11 0.00 0.00 175.55 174.46 1vrr s VAL 82 N -0.68 2.55 0.14 0.71 -7.23 0.18 -4.90 120.40 111.18 1vrr s VAL 82 Ca 0.10 -2.08 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1vrr s VAL 82 Cb -0.10 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1vrr s VAL 82 CO 0.00 -0.20 0.21 0.28 -0.31 0.00 0.00 175.10 175.08 1vrr s THR 83 N -1.92 0.09 0.31 5.32 -1.32 -1.26 -1.24 115.64 115.63 1vrr s THR 83 Ca 0.24 -1.47 0.06 0.00 -1.21 0.00 0.00 61.69 59.31 1vrr s THR 83 Cb -0.07 -1.77 0.08 0.00 -1.51 0.00 0.00 72.50 69.23 1vrr s THR 83 CO 0.12 -0.43 1.77 0.00 -2.21 0.00 0.00 174.62 173.87 1vrr h ALA 84 N 2.67 1.21 -2.32 11.08 0.00 -2.01 -3.43 119.26 126.46 1vrr h ALA 84 Ca -0.33 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 53.68 1vrr h ALA 84 Cb 1.21 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1vrr h ALA 84 CO 0.53 0.52 0.48 0.34 0.00 0.00 0.00 179.25 181.11 1vrr s ASP 85 N -6.85 7.07 0.23 0.00 3.68 -1.26 -4.95 116.67 114.60 1vrr s ASP 85 Ca -0.06 1.32 -0.06 0.00 2.13 0.00 0.00 52.55 55.88 1vrr s ASP 85 Cb 0.14 -2.50 0.22 0.00 -1.45 0.00 0.00 42.92 39.34 1vrr s ASP 85 CO 0.77 -0.43 1.83 1.55 0.13 0.00 0.00 175.17 179.02 1vrr h PRO 86 N 7.24 1.19 0.00 4.34 0.13 -2.01 -2.85 132.00 140.05 1vrr h PRO 86 Ca -0.29 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1vrr h PRO 86 Cb 1.13 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1vrr h PRO 86 CO 0.85 0.92 -0.27 0.87 -0.23 0.00 0.00 178.00 180.14 1vrr h LYS 87 N 1.18 0.00 -0.30 0.86 1.57 -1.97 -1.61 116.57 116.30 1vrr h LYS 87 Ca 0.29 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 1vrr h LYS 87 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1vrr h LYS 87 CO -0.04 0.27 -0.53 1.25 -0.57 0.00 0.00 179.45 179.83 1vrr h LEU 88 N 0.00 0.99 -0.55 2.94 5.85 -1.93 -2.53 115.31 120.09 1vrr h LEU 88 Ca -0.00 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1vrr h LEU 88 Cb 0.51 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1vrr h LEU 88 CO 0.03 1.33 0.26 0.40 -0.34 0.00 0.00 178.44 180.13 1vrr h ILE 89 N 0.69 1.20 -0.68 4.05 2.04 -1.18 -2.41 117.51 121.23 1vrr h ILE 89 Ca 0.02 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1vrr h ILE 89 Cb 1.14 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1vrr h ILE 89 CO 0.12 0.23 0.41 0.03 0.00 0.00 0.00 178.15 178.94 1vrr h ARG 90 N 0.74 0.91 0.00 2.37 3.08 -1.23 -1.45 114.38 118.81 1vrr h ARG 90 Ca 0.19 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1vrr h ARG 90 Cb 0.12 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1vrr h ARG 90 CO -0.02 0.64 0.00 0.39 -1.07 0.00 0.00 179.97 179.90 1vrr n GLU 91 N -4.40 0.11 0.00 0.04 1.02 -0.95 -3.52 120.64 112.94 1vrr n GLU 91 Ca 0.07 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1vrr n GLU 91 Cb 0.07 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.01 1vrr n GLU 91 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1vrr n THR 92 N -1.44 0.00 -0.03 2.62 -2.24 -0.59 -4.70 114.28 107.90 1vrr n THR 92 Ca 0.08 -0.48 0.03 0.00 -2.27 0.00 0.00 64.05 61.42 1vrr n THR 92 Cb 0.27 1.15 0.40 0.00 -2.10 0.00 0.00 70.33 70.05 1vrr n THR 92 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1vrr h LEU 93 N 1.37 0.53 0.00 3.22 3.38 -1.49 -2.96 115.31 119.36 1vrr h LEU 93 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1vrr h LEU 93 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1vrr h LEU 93 CO 0.00 0.38 -0.94 0.77 0.09 0.00 0.00 178.44 178.74 1vrr h SER 94 N 0.62 0.00 -4.03 -0.43 4.64 -1.84 -3.48 113.55 109.04 1vrr h SER 94 Ca 0.17 -0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 61.03 1vrr h SER 94 Cb -0.07 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.17 1vrr h SER 94 CO -0.04 0.00 0.25 -0.76 -0.87 0.00 0.00 176.83 175.41 1vrr s LEU 95 N -5.36 1.74 0.44 5.97 1.43 -1.12 -5.04 118.68 116.74 1vrr s LEU 95 Ca 0.00 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 1vrr s LEU 95 Cb 0.09 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.05 1vrr s LEU 95 CO 0.78 -2.93 0.81 -1.61 0.23 0.00 0.00 176.35 173.64 1vrr s GLU 96 N -5.18 3.77 0.00 1.70 0.41 -1.26 -4.80 118.70 113.34 1vrr s GLU 96 Ca 0.65 0.52 0.00 0.00 -0.41 0.00 0.00 54.97 55.74 1vrr s GLU 96 Cb -0.16 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 1vrr s GLU 96 CO 0.55 -0.11 0.89 -2.30 -0.49 0.00 0.00 175.26 173.80 1vrr n PRO 97 N -1.50 0.00 -0.34 0.39 -0.02 -1.26 -0.17 135.00 132.10 1vrr n PRO 97 Ca 0.03 0.89 0.20 0.00 -2.02 0.00 0.00 63.50 62.60 1vrr n PRO 97 Cb 0.54 -1.36 0.42 0.00 -0.02 0.00 0.00 33.50 33.09 1vrr n PRO 97 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1vrr h GLU 98 N 0.00 0.45 -0.31 -0.52 3.07 -1.96 0.19 114.58 115.49 1vrr h GLU 98 Ca 0.00 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 1vrr h GLU 98 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1vrr h GLU 98 CO 0.00 0.30 -0.25 1.49 -1.40 0.00 0.00 179.01 179.15 1vrr h GLU 99 N 0.46 0.62 0.40 2.33 4.57 -1.24 -2.75 114.58 118.97 1vrr h GLU 99 Ca 0.68 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.60 1vrr h GLU 99 Cb 1.42 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1vrr h GLU 99 CO -0.54 0.81 -0.19 1.96 -1.18 0.00 0.00 179.01 179.88 1vrr h GLN 100 N 0.54 -0.51 -0.88 1.92 4.20 0.26 -2.30 115.11 118.33 1vrr h GLN 100 Ca 0.08 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.02 1vrr h GLN 100 Cb 0.72 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.49 1vrr h GLN 100 CO 0.05 -0.23 0.40 -0.22 -0.67 0.00 0.00 178.83 178.17 1vrr h LYS 101 N -0.77 0.44 0.17 1.46 3.64 -1.45 -0.82 116.57 119.24 1vrr h LYS 101 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1vrr h LYS 101 Cb 0.52 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1vrr h LYS 101 CO 0.09 0.29 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.20 1vrr h LYS 102 N 0.45 -0.32 0.00 1.90 3.64 -1.31 -1.11 116.57 119.82 1vrr h LYS 102 Ca 0.54 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.88 1vrr h LYS 102 Cb 0.97 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1vrr h LYS 102 CO -0.49 -0.21 -0.29 0.28 -2.27 0.00 0.00 179.45 176.47 1vrr h VAL 103 N -0.33 1.12 0.26 2.00 2.07 -0.70 -1.06 116.25 119.61 1vrr h VAL 103 Ca -0.00 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1vrr h VAL 103 Cb 0.30 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1vrr h VAL 103 CO -0.02 0.28 -0.12 0.40 0.02 0.00 0.00 177.57 178.13 1vrr h ILE 104 N 0.00 0.64 -0.27 4.57 2.04 -0.91 -3.20 117.51 120.38 1vrr h ILE 104 Ca -0.00 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1vrr h ILE 104 Cb 0.54 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1vrr h ILE 104 CO 0.04 0.15 0.12 -0.33 0.00 0.00 0.00 178.15 178.12 1vrr h GLU 105 N -0.89 0.37 -1.86 2.37 5.08 -1.20 -2.42 114.58 116.02 1vrr h GLU 105 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1vrr h GLU 105 Cb 0.51 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1vrr h GLU 105 CO 0.06 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1vrr n ALA 106 N -2.49 2.77 -1.85 3.43 0.00 -0.40 -0.79 120.51 121.18 1vrr n ALA 106 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1vrr n ALA 106 Cb 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1vrr n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vrr n ALA 107 N 1.47 1.23 -0.97 0.00 0.00 -0.92 -4.98 120.51 116.35 1vrr n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vrr n ALA 107 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1vrr n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vrr n GLY 108 N 0.00 0.36 3.92 0.00 0.00 0.03 -5.00 105.19 104.51 1vrr n GLY 108 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1vrr n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vrr s LYS 109 N -0.70 3.53 0.16 1.61 3.01 -1.17 -5.02 119.74 121.16 1vrr s LYS 109 Ca 0.00 -0.09 -0.16 0.00 -1.01 0.00 0.00 55.97 54.71 1vrr s LYS 109 Cb 0.00 -2.55 -0.07 0.00 -1.01 0.00 0.00 37.83 34.20 1vrr s LYS 109 CO 0.00 0.02 0.60 -2.00 0.51 0.00 0.00 175.35 174.48 1vrr s GLU 110 N -4.38 4.08 -0.23 1.68 2.12 -1.26 -3.89 118.70 116.81 1vrr s GLU 110 Ca 0.43 0.62 -0.03 0.00 0.36 0.00 0.00 54.97 56.36 1vrr s GLU 110 Cb -0.10 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.35 1vrr s GLU 110 CO 0.39 0.47 -0.06 0.00 -0.54 0.00 0.00 175.26 175.52 1vrr s ALA 111 N -1.44 2.74 -0.26 6.30 0.00 -1.26 -4.55 121.76 123.28 1vrr s ALA 111 Ca 0.38 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1vrr s ALA 111 Cb -0.16 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 1vrr s ALA 111 CO 0.20 -0.60 0.08 -0.51 0.00 0.00 0.00 175.76 174.93 1vrr s LEU 112 N 1.40 3.55 -0.01 0.00 1.43 -0.37 -4.93 118.68 119.75 1vrr s LEU 112 Ca 0.03 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1vrr s LEU 112 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1vrr s LEU 112 CO -0.04 -0.07 1.20 -1.59 0.23 0.00 0.00 176.35 176.08 1vrr s LYS 113 N 1.61 4.39 0.00 1.70 0.00 -1.26 -0.64 119.74 125.53 1vrr s LYS 113 Ca 0.06 1.70 0.00 0.00 0.00 0.00 0.00 55.97 57.73 1vrr s LYS 113 Cb -0.15 -3.48 -0.00 0.00 0.00 0.00 0.00 37.83 34.20 1vrr s LYS 113 CO 0.04 -0.36 0.00 0.45 0.00 0.00 0.00 175.35 175.48 1vrr n SER 114 N 4.69 0.19 -3.71 0.03 2.88 -0.17 -4.97 113.62 112.56 1vrr n SER 114 Ca 0.10 -1.02 0.03 0.00 -1.33 0.00 0.00 58.87 56.65 1vrr n SER 114 Cb 0.46 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1vrr n SER 114 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1vrr s TYR 115 N -1.92 -0.00 -0.02 0.66 -0.85 -1.26 -2.60 117.35 111.35 1vrr s TYR 115 Ca 0.00 -0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 1vrr s TYR 115 Cb 0.00 0.52 0.02 0.00 0.38 0.00 0.00 41.96 42.88 1vrr s TYR 115 CO 0.00 -0.10 0.01 -0.80 -1.52 0.00 0.00 175.55 173.14 1vrr s ASN 116 N -3.33 0.24 0.27 -0.18 -0.87 -0.76 -4.99 114.94 105.32 1vrr s ASN 116 Ca 0.21 -0.00 0.11 0.00 -1.57 0.00 0.00 52.86 51.60 1vrr s ASN 116 Cb 0.04 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.25 41.11 1vrr s ASN 116 CO -0.05 -0.08 -0.09 -1.58 -2.57 0.00 0.00 177.10 172.74 1vrr s GLN 117 N 0.76 2.02 -0.30 -0.60 2.00 -1.26 -1.70 119.66 120.57 1vrr s GLN 117 Ca -0.07 -1.58 -0.01 0.00 -2.00 0.00 0.00 55.36 51.70 1vrr s GLN 117 Cb -0.10 -1.98 0.19 0.00 0.80 0.00 0.00 33.01 31.92 1vrr s GLN 117 CO -0.02 0.34 0.62 0.99 -0.50 0.00 0.00 175.29 176.73 1vrr s THR 118 N -2.41 -0.97 0.49 -0.34 2.01 -1.02 -5.02 115.64 108.38 1vrr s THR 118 Ca 0.31 0.00 0.41 0.00 0.31 0.00 0.00 61.69 62.72 1vrr s THR 118 Cb -0.06 -1.00 0.43 0.00 0.01 0.00 0.00 72.50 71.88 1vrr s THR 118 CO 0.18 0.00 2.25 0.44 -0.69 0.00 0.00 174.62 176.80 1vrr h ASP 119 N 8.00 0.00 -3.27 3.53 3.32 -1.85 -1.81 116.42 124.33 1vrr h ASP 119 Ca -0.20 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.34 1vrr h ASP 119 Cb 1.16 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.33 1vrr h ASP 119 CO 0.23 0.00 -0.78 -0.36 -1.72 0.00 0.00 179.24 176.62 1vrr s PHE 120 N -4.02 1.19 -0.08 4.55 0.40 -1.25 -3.03 117.98 115.73 1vrr s PHE 120 Ca -0.03 -0.70 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 1vrr s PHE 120 Cb 0.12 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.60 1vrr s PHE 120 CO 0.46 -0.51 0.21 0.08 0.70 0.00 0.00 175.22 176.16 1vrr s VAL 121 N 1.80 -0.02 -0.12 -0.44 1.01 0.52 -1.03 120.40 122.13 1vrr s VAL 121 Ca 0.02 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1vrr s VAL 121 Cb -0.14 -0.31 0.08 0.00 0.00 0.00 0.00 36.38 36.01 1vrr s VAL 121 CO -0.07 0.03 0.75 -0.75 0.00 0.00 0.00 175.10 175.05 1vrr s LYS 122 N 0.55 0.92 -1.59 2.72 2.20 -0.48 -2.48 119.74 121.58 1vrr s LYS 122 Ca -0.04 0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.83 1vrr s LYS 122 Cb -0.05 0.44 0.16 0.00 -1.51 0.00 0.00 37.83 36.87 1vrr s LYS 122 CO -0.03 -0.25 0.40 -0.25 -0.36 0.00 0.00 175.35 174.86 1vrr n ASP 123 N 1.32 -1.02 -3.12 1.43 8.00 -1.26 0.41 116.55 122.30 1vrr n ASP 123 Ca -0.16 -1.10 -0.18 0.00 0.71 0.00 0.00 54.79 54.06 1vrr n ASP 123 Cb 0.57 -1.40 0.07 0.00 -0.02 0.00 0.00 41.12 40.34 1vrr n ASP 123 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1vrr n ARG 124 N -3.75 -6.28 -4.04 -1.24 1.74 -1.26 -4.87 116.66 96.96 1vrr n ARG 124 Ca 0.01 0.72 -0.15 0.00 -0.77 0.00 0.00 57.85 57.66 1vrr n ARG 124 Cb 0.45 -5.40 -0.15 0.00 -1.02 0.00 0.00 32.46 26.34 1vrr n ARG 124 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1vrr s VAL 125 N -3.29 0.25 -0.12 1.55 1.01 0.16 -0.36 120.40 119.60 1vrr s VAL 125 Ca 0.25 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1vrr s VAL 125 Cb -0.11 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.04 1vrr s VAL 125 CO 0.63 0.09 -0.17 0.00 0.00 0.00 0.00 175.10 175.64 1vrr s ALA 126 N 0.13 1.89 -0.11 5.51 0.00 -1.18 -1.38 121.76 126.61 1vrr s ALA 126 Ca -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1vrr s ALA 126 Cb -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1vrr s ALA 126 CO -0.00 -0.07 0.00 0.42 0.00 0.00 0.00 175.76 176.11 1vrr s ILE 127 N 0.95 4.29 -0.28 0.00 1.01 -0.19 0.29 121.20 127.26 1vrr s ILE 127 Ca -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1vrr s ILE 127 Cb -0.15 -2.83 0.09 0.00 0.01 0.00 0.00 42.46 39.58 1vrr s ILE 127 CO -0.02 0.57 0.07 -1.61 0.00 0.00 0.00 174.94 173.95 1vrr s GLU 128 N -0.53 0.82 -0.43 2.79 0.41 -0.57 -3.99 118.70 117.20 1vrr s GLU 128 Ca 0.09 -0.95 -0.27 0.00 -0.41 0.00 0.00 54.97 53.43 1vrr s GLU 128 Cb -0.12 -2.11 0.02 0.00 -1.78 0.00 0.00 34.13 30.15 1vrr s GLU 128 CO 0.02 -0.87 1.03 0.08 -0.49 0.00 0.00 175.26 175.02 1vrr s VAL 129 N 1.62 4.39 -0.52 2.63 1.01 -1.26 -1.49 120.40 126.79 1vrr s VAL 129 Ca 0.06 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 1vrr s VAL 129 Cb -0.17 -4.48 0.14 0.00 0.00 0.00 0.00 36.38 31.86 1vrr s VAL 129 CO -0.19 -0.80 0.35 -1.58 0.00 0.00 0.00 175.10 172.87 1vrr s GLN 130 N 3.96 2.38 -0.32 2.72 2.00 -0.85 -4.90 119.66 124.66 1vrr s GLN 130 Ca 0.42 -2.12 0.07 0.00 -2.00 0.00 0.00 55.36 51.74 1vrr s GLN 130 Cb -0.10 -3.75 0.48 0.00 0.80 0.00 0.00 33.01 30.45 1vrr s GLN 130 CO 0.26 -1.15 1.44 1.19 -0.50 0.00 0.00 175.29 176.53 1vrr n PHE 131 N 4.19 1.58 -3.85 1.67 3.01 -1.26 -4.68 117.46 118.12 1vrr n PHE 131 Ca 0.01 -1.89 -0.15 0.00 1.01 0.00 0.00 57.45 56.43 1vrr n PHE 131 Cb 0.40 -0.53 -0.01 0.00 -0.01 0.00 0.00 39.48 39.33 1vrr n PHE 131 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vrr n GLY 132 N -1.01 3.07 3.74 1.37 0.00 -1.26 -4.93 105.19 106.17 1vrr n GLY 132 Ca 0.37 -2.25 -0.66 0.00 0.00 0.00 0.00 46.02 43.48 1vrr n GLY 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vrr n LYS 133 N -1.12 0.24 -0.46 1.61 0.00 -1.26 -4.01 118.16 113.16 1vrr n LYS 133 Ca -0.03 0.09 0.39 0.00 0.00 0.00 0.00 58.31 58.75 1vrr n LYS 133 Cb 0.35 -1.63 0.59 0.00 0.00 0.00 0.00 35.03 34.35 1vrr n LYS 133 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1vrr n TYR 134 N 4.27 0.00 0.28 5.64 0.18 -0.41 0.16 117.16 127.29 1vrr n TYR 134 Ca 0.30 0.00 0.16 0.00 1.88 0.00 0.00 57.90 60.24 1vrr n TYR 134 Cb -0.02 -0.36 0.84 0.00 -0.38 0.00 0.00 39.34 39.42 1vrr n TYR 134 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1vrr h SER 135 N 0.00 0.00 0.52 9.48 4.64 -1.86 -2.23 113.55 124.10 1vrr h SER 135 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1vrr h SER 135 Cb 3.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.13 1vrr h SER 135 CO -0.01 0.07 0.00 -0.26 -0.87 0.00 0.00 176.83 175.76 1vrr h PHE 136 N 0.00 0.00 -0.19 4.77 -1.00 -0.59 -2.40 116.94 117.53 1vrr h PHE 136 Ca -0.00 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 1vrr h PHE 136 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1vrr h PHE 136 CO 0.00 0.00 -0.36 0.28 -1.61 0.00 0.00 178.31 176.62 1vrr h VAL 137 N 0.00 1.33 -0.12 -0.55 2.07 -1.60 0.63 116.25 118.00 1vrr h VAL 137 Ca 0.00 -1.59 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1vrr h VAL 137 Cb 0.26 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1vrr h VAL 137 CO 0.00 0.49 -0.36 0.00 0.02 0.00 0.00 177.57 177.72 1vrr h ALA 138 N 0.60 1.17 -0.26 1.67 0.00 -1.65 0.95 119.26 121.74 1vrr h ALA 138 Ca 0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1vrr h ALA 138 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1vrr h ALA 138 CO 0.08 0.55 -0.13 -0.92 0.00 0.00 0.00 179.25 178.83 1vrr h TYR 139 N 0.22 0.63 -0.33 0.00 3.20 -1.15 0.13 116.97 119.66 1vrr h TYR 139 Ca 0.03 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 1vrr h TYR 139 Cb 0.74 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1vrr h TYR 139 CO 0.01 0.80 0.16 -0.44 -1.64 0.00 0.00 178.16 177.06 1vrr h ASP 140 N 0.27 0.43 0.15 -2.11 3.32 0.69 -1.36 116.42 117.82 1vrr h ASP 140 Ca 0.06 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1vrr h ASP 140 Cb 0.64 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1vrr h ASP 140 CO 0.04 0.43 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.85 1vrr h LEU 141 N 0.40 -0.17 0.00 1.55 3.38 -0.73 -0.24 115.31 119.50 1vrr h LEU 141 Ca 0.11 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1vrr h LEU 141 Cb 0.11 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1vrr h LEU 141 CO -0.01 0.32 -0.38 0.49 0.09 0.00 0.00 178.44 178.94 1vrr n PHE 142 N -4.96 0.66 -0.02 1.13 3.01 0.46 -3.57 117.46 114.18 1vrr n PHE 142 Ca -0.08 0.19 -0.05 0.00 1.01 0.00 0.00 57.45 58.52 1vrr n PHE 142 Cb 0.26 -0.74 -0.02 0.00 -0.01 0.00 0.00 39.48 38.97 1vrr n PHE 142 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1vrr n VAL 143 N -2.13 1.26 0.05 -4.37 0.31 -0.54 -4.68 118.33 108.22 1vrr n VAL 143 Ca 0.04 0.23 -0.03 0.00 -0.01 0.00 0.00 64.34 64.57 1vrr n VAL 143 Cb 0.43 -1.89 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 1vrr n VAL 143 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1vrr h LYS 144 N -0.44 -0.17 -0.79 5.55 1.57 -1.28 -0.45 116.57 120.56 1vrr h LYS 144 Ca -0.04 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1vrr h LYS 144 Cb 0.55 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.81 1vrr h LYS 144 CO -0.03 -0.12 0.37 0.45 -0.57 0.00 0.00 179.45 179.56 1vrr h HIS 145 N -0.52 0.64 -0.79 -1.35 3.86 -1.23 0.86 115.15 116.62 1vrr h HIS 145 Ca -0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1vrr h HIS 145 Cb 0.14 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1vrr h HIS 145 CO 0.03 0.14 0.45 1.98 0.86 0.00 0.00 177.93 181.40 1vrr h MET 146 N 0.55 1.09 0.46 2.45 1.85 -1.68 0.12 114.93 119.77 1vrr h MET 146 Ca 0.42 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.39 1vrr h MET 146 Cb 0.59 -0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.38 1vrr h MET 146 CO -0.36 0.79 -0.46 0.00 -0.40 0.00 0.00 176.91 176.49 1vrr h ALA 147 N 1.24 -1.01 -0.66 0.39 0.00 0.88 -0.61 119.26 119.48 1vrr h ALA 147 Ca 0.28 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1vrr h ALA 147 Cb 0.01 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1vrr h ALA 147 CO -0.05 -1.11 0.31 0.74 0.00 0.00 0.00 179.25 179.15 1vrr h PHE 148 N -0.92 0.56 0.25 0.00 0.04 -1.00 -0.46 116.94 115.41 1vrr h PHE 148 Ca -0.05 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1vrr h PHE 148 Cb 0.81 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1vrr h PHE 148 CO -0.24 0.20 -0.25 -0.92 -0.60 0.00 0.00 178.31 176.51 1vrr h TYR 149 N 0.55 -0.66 -0.22 -0.55 3.20 -0.24 -0.80 116.97 118.25 1vrr h TYR 149 Ca 0.32 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 1vrr h TYR 149 Cb 0.34 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1vrr h TYR 149 CO -0.12 -0.37 -0.16 -0.39 -1.64 0.00 0.00 178.16 175.48 1vrr h VAL 150 N -0.53 1.22 0.00 1.81 -1.51 -0.91 -1.45 116.25 114.88 1vrr h VAL 150 Ca -0.01 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 1vrr h VAL 150 Cb 0.49 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1vrr h VAL 150 CO -0.05 0.32 0.00 -1.20 -1.23 0.00 0.00 177.57 175.40 1vrr n SER 151 N -4.21 0.00 -2.68 4.19 7.64 -0.20 -4.85 113.62 113.51 1vrr n SER 151 Ca -0.00 -0.14 -0.18 0.00 1.01 0.00 0.00 58.87 59.57 1vrr n SER 151 Cb 0.32 -0.19 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 1vrr n SER 151 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vrr n ASP 152 N -1.19 -5.20 -0.04 6.43 -0.08 -0.55 -4.91 116.55 111.01 1vrr n ASP 152 Ca 0.09 -0.35 -0.03 0.00 -1.51 0.00 0.00 54.79 52.99 1vrr n ASP 152 Cb 0.11 -3.87 -0.07 0.00 2.34 0.00 0.00 41.12 39.63 1vrr n ASP 152 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1vrr n LYS 153 N -3.69 2.16 -4.47 -0.67 5.02 -0.38 -5.02 118.16 111.11 1vrr n LYS 153 Ca -0.02 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 1vrr n LYS 153 Cb 0.56 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 34.24 1vrr n LYS 153 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1vrr s ILE 154 N -2.29 2.32 0.00 -0.18 2.07 -1.18 -4.44 121.20 117.49 1vrr s ILE 154 Ca -0.04 -2.33 0.00 0.00 -1.41 0.00 0.00 60.65 56.86 1vrr s ILE 154 Cb 0.03 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.27 1vrr s ILE 154 CO 0.36 -0.38 0.00 0.47 -1.91 0.00 0.00 174.94 173.49 1vrr n ASP 155 N -0.63 0.26 -3.64 4.50 10.43 0.51 -4.51 116.55 123.46 1vrr n ASP 155 Ca -0.05 -0.47 -0.03 0.00 2.57 0.00 0.00 54.79 56.80 1vrr n ASP 155 Cb 0.61 1.00 -0.07 0.00 1.84 0.00 0.00 41.12 44.50 1vrr n ASP 155 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1vrr s VAL 156 N -1.05 0.00 -0.07 2.53 0.11 -1.25 -4.69 120.40 115.98 1vrr s VAL 156 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1vrr s VAL 156 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1vrr s VAL 156 CO 0.00 0.00 0.17 -0.83 -3.33 0.00 0.00 175.10 171.11 1vrr s GLY 157 N 0.80 2.19 -0.11 6.54 0.00 -0.14 -3.13 107.32 113.46 1vrr s GLY 157 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1vrr s GLY 157 CO -0.12 -0.43 -0.18 0.14 0.00 0.00 0.00 173.10 172.52 1vrr s VAL 158 N -1.13 2.67 -0.14 1.40 1.01 0.15 -0.87 120.40 123.49 1vrr s VAL 158 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1vrr s VAL 158 Cb -0.12 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1vrr s VAL 158 CO 0.09 0.55 -0.11 -0.70 0.00 0.00 0.00 175.10 174.93 1vrr s GLU 159 N 0.18 1.94 -0.24 2.72 2.56 -0.38 -1.52 118.70 123.97 1vrr s GLU 159 Ca -0.10 -0.44 -0.10 0.00 0.00 0.00 0.00 54.97 54.33 1vrr s GLU 159 Cb -0.16 -1.90 -0.05 0.00 2.00 0.00 0.00 34.13 34.03 1vrr s GLU 159 CO 0.06 -0.26 0.14 0.42 -0.56 0.00 0.00 175.26 175.06 1vrr s ILE 160 N 1.58 5.12 0.15 -3.70 1.01 -0.55 -0.84 121.20 123.97 1vrr s ILE 160 Ca 0.05 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.86 1vrr s ILE 160 Cb -0.13 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1vrr s ILE 160 CO -0.10 0.34 -0.13 -0.76 0.00 0.00 0.00 174.94 174.30 1vrr s LEU 161 N 1.16 2.48 0.02 2.97 1.43 0.51 -2.00 118.68 125.24 1vrr s LEU 161 Ca 0.07 -0.92 -0.20 0.00 -1.03 0.00 0.00 54.13 52.05 1vrr s LEU 161 Cb -0.14 -0.54 -0.06 0.00 0.03 0.00 0.00 46.19 45.48 1vrr s LEU 161 CO 0.05 -0.19 0.57 -2.16 0.23 0.00 0.00 176.35 174.85 1vrr s PRO 162 N -3.21 4.26 0.99 1.29 0.04 -1.26 -1.44 135.00 135.67 1vrr s PRO 162 Ca 0.15 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 1vrr s PRO 162 Cb -0.02 -3.30 0.19 0.00 0.04 0.00 0.00 34.50 31.41 1vrr s PRO 162 CO 0.04 0.48 1.08 -1.64 0.04 0.00 0.00 177.00 176.99 1vrr s MET 163 N -0.54 0.45 0.57 4.56 -1.94 -0.02 -1.10 119.30 121.27 1vrr s MET 163 Ca 0.30 0.77 0.26 0.00 -1.71 0.00 0.00 55.69 55.31 1vrr s MET 163 Cb -0.19 -1.72 1.53 0.00 2.01 0.00 0.00 34.83 36.47 1vrr s MET 163 CO 0.17 -2.78 2.06 -0.22 -0.01 0.00 0.00 175.02 174.25 1vrr h LYS 164 N -1.94 0.00 0.00 2.03 1.63 -1.92 0.46 116.57 116.83 1vrr h LYS 164 Ca -0.54 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1vrr h LYS 164 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1vrr h LYS 164 CO 0.54 0.00 0.00 -0.85 -3.45 0.00 0.00 179.45 175.69 1vrr n GLU 165 N -4.04 0.14 -0.13 1.90 0.28 -1.26 -1.57 120.64 115.96 1vrr n GLU 165 Ca 0.04 0.16 -0.23 0.00 -0.16 0.00 0.00 57.16 56.97 1vrr n GLU 165 Cb 0.40 -1.68 -0.11 0.00 1.43 0.00 0.00 31.44 31.47 1vrr n GLU 165 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1vrr n LEU 166 N -1.93 2.52 0.29 -1.84 7.94 0.04 -4.25 117.00 119.76 1vrr n LEU 166 Ca 0.06 0.07 0.17 0.00 -1.11 0.00 0.00 56.01 55.20 1vrr n LEU 166 Cb 0.36 -0.87 0.81 0.00 0.53 0.00 0.00 43.42 44.26 1vrr n LEU 166 CO 0.27 0.78 1.03 0.77 -1.11 0.00 0.00 177.39 179.12 1vrr h SER 167 N -0.44 0.00 0.38 1.96 4.64 -1.31 0.58 113.55 119.36 1vrr h SER 167 Ca -0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1vrr h SER 167 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1vrr h SER 167 CO -0.24 0.04 0.00 1.17 -0.87 0.00 0.00 176.83 176.93 1vrr n LYS 168 N -3.20 0.11 -0.27 4.77 4.81 -0.61 -2.37 118.16 121.40 1vrr n LYS 168 Ca -0.01 0.20 0.07 0.00 -0.87 0.00 0.00 58.31 57.69 1vrr n LYS 168 Cb 0.24 -1.50 0.10 0.00 0.02 0.00 0.00 35.03 33.89 1vrr n LYS 168 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1vrr n GLU 169 N -1.39 0.88 -4.58 1.64 1.02 0.19 -5.04 120.64 113.37 1vrr n GLU 169 Ca 0.05 -2.14 -0.27 0.00 -0.02 0.00 0.00 57.16 54.79 1vrr n GLU 169 Cb 0.14 -1.17 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 1vrr n GLU 169 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1vrr s MET 170 N -1.96 1.88 0.99 3.49 -1.94 -1.00 -2.10 119.30 118.65 1vrr s MET 170 Ca 0.23 -2.03 -0.12 0.00 -1.71 0.00 0.00 55.69 52.07 1vrr s MET 170 Cb 0.21 -1.61 0.15 0.00 2.01 0.00 0.00 34.83 35.59 1vrr s MET 170 CO 0.01 0.01 0.88 0.43 -0.01 0.00 0.00 175.02 176.34 1vrr n SER 171 N -0.88 -0.80 -4.68 3.03 7.64 -1.26 -4.95 113.62 111.73 1vrr n SER 171 Ca -0.05 0.25 -0.31 0.00 1.01 0.00 0.00 58.87 59.77 1vrr n SER 171 Cb 0.66 -1.34 0.16 0.00 -1.01 0.00 0.00 64.21 62.68 1vrr n SER 171 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1vrr s SER 172 N -2.40 3.04 0.00 6.43 0.15 -1.26 -3.62 113.70 116.04 1vrr s SER 172 Ca 0.64 2.08 0.00 0.00 0.70 0.00 0.00 55.95 59.37 1vrr s SER 172 Cb -0.22 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1vrr s SER 172 CO 0.62 -3.01 0.00 0.61 1.20 0.00 0.00 173.24 172.66 1vrr n GLY 173 N 0.00 3.15 3.77 9.45 0.00 -1.26 -5.00 105.19 115.30 1vrr n GLY 173 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1vrr n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vrr s ILE 174 N -2.12 4.03 0.96 -0.61 1.01 -1.24 -1.29 121.20 121.94 1vrr s ILE 174 Ca 0.00 1.84 -0.13 0.00 0.00 0.00 0.00 60.65 62.36 1vrr s ILE 174 Cb 0.00 -4.09 0.16 0.00 0.01 0.00 0.00 42.46 38.54 1vrr s ILE 174 CO 0.00 0.29 1.15 -0.94 0.00 0.00 0.00 174.94 175.43 1vrr s SER 175 N -1.37 3.11 -0.05 3.58 1.04 -1.26 -4.76 113.70 114.00 1vrr s SER 175 Ca 0.47 0.88 -0.03 0.00 0.48 0.00 0.00 55.95 57.75 1vrr s SER 175 Cb -0.23 -1.38 0.03 0.00 0.10 0.00 0.00 66.02 64.54 1vrr s SER 175 CO 0.29 -2.79 0.11 -0.72 0.98 0.00 0.00 173.24 171.11 1vrr s TYR 176 N -3.28 -0.12 0.03 5.02 -0.85 -1.26 -4.64 117.35 112.25 1vrr s TYR 176 Ca 0.66 0.35 -0.06 0.00 -0.52 0.00 0.00 57.07 57.50 1vrr s TYR 176 Cb -0.14 -0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.14 1vrr s TYR 176 CO 0.54 -0.11 0.75 0.98 -1.52 0.00 0.00 175.55 176.19 1vrr n TYR 177 N 3.69 -0.09 -0.31 -3.49 9.36 -0.26 -1.70 117.16 124.36 1vrr n TYR 177 Ca -0.20 0.24 -0.05 0.00 3.32 0.00 0.00 57.90 61.20 1vrr n TYR 177 Cb 0.55 -0.39 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 1vrr n TYR 177 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1vrr n GLU 178 N -3.29 -0.27 0.24 2.98 4.71 -1.26 -0.20 120.64 123.55 1vrr n GLU 178 Ca 0.00 1.17 -0.16 0.00 -0.01 0.00 0.00 57.16 58.16 1vrr n GLU 178 Cb 0.05 -1.72 -0.08 0.00 -1.01 0.00 0.00 31.44 28.68 1vrr n GLU 178 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1vrr h GLY 179 N 0.00 -0.58 1.01 0.62 0.00 -1.74 -2.64 103.07 99.72 1vrr h GLY 179 Ca 0.18 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.78 1vrr h GLY 179 CO -0.74 -0.21 0.52 0.83 0.00 0.00 0.00 176.54 176.94 1vrr h GLU 180 N -0.56 0.88 -0.90 4.80 4.39 -0.88 0.83 114.58 123.14 1vrr h GLU 180 Ca -0.06 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.69 1vrr h GLU 180 Cb 0.43 -0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 28.81 1vrr h GLU 180 CO 0.09 0.58 0.54 1.25 -1.16 0.00 0.00 179.01 180.32 1vrr h LEU 181 N 0.91 0.80 -0.07 1.33 6.46 -0.38 -1.25 115.31 123.11 1vrr h LEU 181 Ca 0.34 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.14 1vrr h LEU 181 Cb 0.17 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1vrr h LEU 181 CO -0.11 0.45 0.04 0.22 -0.62 0.00 0.00 178.44 178.42 1vrr h TYR 182 N 0.90 0.09 -0.84 1.25 3.20 -0.50 0.89 116.97 121.95 1vrr h TYR 182 Ca 0.43 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.53 1vrr h TYR 182 Cb 0.38 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1vrr h TYR 182 CO -0.04 0.08 0.59 -0.91 -1.64 0.00 0.00 178.16 176.25 1vrr h ASN 183 N 0.06 0.10 0.00 -2.11 -0.26 -0.54 1.07 115.58 113.91 1vrr h ASN 183 Ca 0.02 0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.65 1vrr h ASN 183 Cb 0.02 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 1vrr h ASN 183 CO -0.00 0.04 -0.65 0.58 -1.06 0.00 0.00 177.43 176.33 1vrr h VAL 184 N 0.10 1.33 -0.89 2.81 2.07 -0.98 -3.38 116.25 117.31 1vrr h VAL 184 Ca 0.41 -2.25 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 1vrr h VAL 184 Cb 1.47 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 33.96 1vrr h VAL 184 CO -0.05 0.45 0.53 0.40 0.02 0.00 0.00 177.57 178.92 1vrr h ILE 185 N -1.00 1.25 -1.12 4.57 1.08 0.31 -2.91 117.51 119.68 1vrr h ILE 185 Ca -0.18 -0.56 0.36 0.00 -0.39 0.00 0.00 64.86 64.09 1vrr h ILE 185 Cb 1.15 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.77 1vrr h ILE 185 CO -0.11 0.26 0.69 -0.09 -0.69 0.00 0.00 178.15 178.21 1vrr h ARG 186 N 1.23 0.22 -2.83 2.37 2.43 0.98 -3.04 114.38 115.75 1vrr h ARG 186 Ca 0.32 -0.01 -0.77 0.00 -0.81 0.00 0.00 59.98 58.71 1vrr h ARG 186 Cb -0.04 -0.05 -0.31 0.00 -0.42 0.00 0.00 29.97 29.15 1vrr h ARG 186 CO -0.06 0.15 0.48 0.00 -1.51 0.00 0.00 179.97 179.03 1vrr n GLN 187 N -4.85 4.01 0.00 0.20 10.64 -1.10 -5.03 117.38 121.24 1vrr n GLN 187 Ca 0.33 -4.57 0.00 0.00 -1.83 0.00 0.00 57.00 50.93 1vrr n GLN 187 Cb 1.15 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 1vrr n GLN 187 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1vrr n GLY 188 N 1.33 0.75 2.79 2.61 0.00 -1.15 -4.26 105.19 107.27 1vrr n GLY 188 Ca 0.26 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1vrr n GLY 188 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vrr n ARG 189 N 0.00 1.73 -0.24 1.61 1.85 -1.26 -4.54 116.66 115.81 1vrr n ARG 189 Ca 0.00 -3.51 0.00 0.00 -1.00 0.00 0.00 57.85 53.34 1vrr n ARG 189 Cb 0.00 -1.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 1vrr n ARG 189 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vrr n GLY 190 N -0.53 -0.61 2.87 2.89 0.00 -1.26 -4.75 105.19 103.80 1vrr n GLY 190 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1vrr n GLY 190 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vrr s VAL 191 N 0.00 0.72 0.73 1.61 1.01 -1.26 -3.18 120.40 120.03 1vrr s VAL 191 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 1vrr s VAL 191 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.64 1vrr s VAL 191 CO 0.00 0.30 1.08 -2.16 0.00 0.00 0.00 175.10 174.32 1vrr s PRO 192 N 1.55 2.59 -1.41 2.72 0.04 -1.26 -4.85 135.00 134.38 1vrr s PRO 192 Ca 0.00 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.06 1vrr s PRO 192 Cb -0.13 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1vrr s PRO 192 CO -0.04 -1.38 2.33 0.00 0.04 0.00 0.00 177.00 177.94 1vrr n ALA 193 N -3.24 6.30 -3.71 8.56 0.00 -1.19 -4.80 120.51 122.43 1vrr n ALA 193 Ca 0.09 -3.99 -0.11 0.00 0.00 0.00 0.00 53.44 49.42 1vrr n ALA 193 Cb 0.53 -3.12 -0.12 0.00 0.00 0.00 0.00 19.45 16.74 1vrr n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vrr s VAL 194 N 0.90 -0.06 0.27 0.00 0.11 -1.26 -4.99 120.40 115.37 1vrr s VAL 194 Ca 0.52 0.13 -0.31 0.00 -2.93 0.00 0.00 61.98 59.39 1vrr s VAL 194 Cb 0.15 -0.50 -0.12 0.00 -1.53 0.00 0.00 36.38 34.38 1vrr s VAL 194 CO -0.06 0.05 1.60 -2.65 -3.33 0.00 0.00 175.10 170.72 1vrr n PRO 195 N 4.32 2.64 -4.08 1.54 -0.02 -1.26 -4.76 135.00 133.39 1vrr n PRO 195 Ca -0.23 0.94 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 1vrr n PRO 195 Cb 0.54 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.20 1vrr n PRO 195 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1vrr s LEU 196 N -0.14 1.84 -0.24 2.45 1.43 -0.47 -0.97 118.68 122.58 1vrr s LEU 196 Ca 0.66 -1.04 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1vrr s LEU 196 Cb -0.51 0.46 0.08 0.00 0.03 0.00 0.00 46.19 46.25 1vrr s LEU 196 CO 0.46 -0.71 0.11 -0.69 0.23 0.00 0.00 176.35 175.75 1vrr s VAL 197 N -3.98 0.01 -0.21 -1.59 1.01 -0.05 -0.83 120.40 114.76 1vrr s VAL 197 Ca 0.16 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1vrr s VAL 197 Cb 0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1vrr s VAL 197 CO -0.03 -0.54 0.54 -0.76 0.00 0.00 0.00 175.10 174.31 1vrr s LEU 198 N 2.07 4.14 -0.13 3.92 1.43 -0.09 -1.25 118.68 128.77 1vrr s LEU 198 Ca 0.06 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1vrr s LEU 198 Cb -0.16 -2.74 -0.00 0.00 0.03 0.00 0.00 46.19 43.32 1vrr s LEU 198 CO -0.25 -0.21 -0.19 -0.63 0.23 0.00 0.00 176.35 175.30 1vrr s ILE 199 N 1.76 2.38 -0.85 -0.59 1.01 -0.02 -0.18 121.20 124.71 1vrr s ILE 199 Ca 0.25 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1vrr s ILE 199 Cb -0.15 -1.96 0.21 0.00 0.01 0.00 0.00 42.46 40.56 1vrr s ILE 199 CO 0.10 0.54 0.72 -0.83 0.00 0.00 0.00 174.94 175.47 1vrr s GLY 200 N 0.56 3.01 0.89 6.18 0.00 0.91 -0.37 107.32 118.51 1vrr s GLY 200 Ca -0.12 -3.79 -0.11 0.00 0.00 0.00 0.00 44.72 40.70 1vrr s GLY 200 CO 0.04 1.17 1.09 -0.26 0.00 0.00 0.00 173.10 175.14 1vrr s ILE 201 N -1.26 2.69 -0.03 0.90 -4.36 -0.52 -2.72 121.20 115.90 1vrr s ILE 201 Ca 0.26 0.22 0.01 0.00 -0.26 0.00 0.00 60.65 60.89 1vrr s ILE 201 Cb -0.08 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.98 1vrr s ILE 201 CO -0.12 -0.29 0.41 0.00 0.24 0.00 0.00 174.94 175.18 1vrr n ALA 202 N -3.89 -0.36 1.63 2.27 0.00 -1.11 -0.84 120.51 118.21 1vrr n ALA 202 Ca 0.07 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1vrr n ALA 202 Cb 0.55 -0.37 0.77 0.00 0.00 0.00 0.00 19.45 20.40 1vrr n ALA 202 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20