#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg n ARG 2 N 0.00 1.56 -2.01 0.00 1.74 -1.26 -4.95 116.66 111.75 1qvg n ARG 2 Ca 0.00 0.55 -0.31 0.00 -0.77 0.00 0.00 57.85 57.32 1qvg n ARG 2 Cb 0.00 -2.00 -0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1qvg n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qvg s SER 3 N -0.39 6.30 0.34 0.55 1.04 -1.26 -4.93 113.70 115.35 1qvg s SER 3 Ca 0.60 1.48 0.02 0.00 0.48 0.00 0.00 55.95 58.53 1qvg s SER 3 Cb -0.68 -2.48 0.60 0.00 0.10 0.00 0.00 66.02 63.56 1qvg s SER 3 CO 0.59 -0.82 1.99 0.00 0.98 0.00 0.00 173.24 175.97 1qvg h ALA 4 N 0.03 1.50 0.09 5.32 0.00 -2.03 -2.43 119.26 121.75 1qvg h ALA 4 Ca -0.45 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1qvg h ALA 4 Cb 1.19 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1qvg h ALA 4 CO 0.62 0.44 -0.34 1.88 0.00 0.00 0.00 179.25 181.84 1qvg h TYR 5 N 0.86 -0.94 0.00 0.00 0.99 -2.01 -1.72 116.97 114.14 1qvg h TYR 5 Ca 0.23 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1qvg h TYR 5 Cb -0.05 0.40 0.00 0.00 1.00 0.00 0.00 36.73 38.09 1qvg h TYR 5 CO 0.00 -0.45 0.79 0.66 -0.00 0.00 0.00 178.16 179.17 1qvg h SER 6 N -0.55 0.00 0.16 3.88 4.64 -1.81 1.53 113.55 121.40 1qvg h SER 6 Ca 0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.06 1qvg h SER 6 Cb 0.60 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1qvg h SER 6 CO -0.22 0.00 -1.43 1.88 -0.87 0.00 0.00 176.83 176.19 1qvg h TYR 7 N 0.00 0.60 -0.88 4.77 -1.99 -1.41 -2.51 116.97 115.55 1qvg h TYR 7 Ca 0.00 -0.44 0.08 0.00 2.00 0.00 0.00 58.73 60.38 1qvg h TYR 7 Cb 1.58 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 40.22 1qvg h TYR 7 CO 0.00 1.56 0.54 0.82 -0.00 0.00 0.00 178.16 181.07 1qvg h ILE 8 N -0.15 0.98 0.27 -2.88 2.04 0.21 -0.38 117.51 117.60 1qvg h ILE 8 Ca -0.29 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1qvg h ILE 8 Cb 1.89 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1qvg h ILE 8 CO 0.13 0.17 -0.13 -0.09 0.00 0.00 0.00 178.15 178.23 1qvg h ARG 9 N 0.93 -0.34 -0.70 2.37 2.43 -1.58 -2.70 114.38 114.79 1qvg h ARG 9 Ca 0.41 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.75 1qvg h ARG 9 Cb 0.29 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.80 1qvg h ARG 9 CO -0.21 -0.03 0.07 1.49 -1.51 0.00 0.00 179.97 179.78 1qvg h GLU 10 N -0.68 0.17 -0.75 0.20 4.57 -0.96 -0.90 114.58 116.23 1qvg h GLU 10 Ca -0.04 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1qvg h GLU 10 Cb 0.47 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1qvg h GLU 10 CO 0.06 0.11 0.38 0.00 -1.18 0.00 0.00 179.01 178.38 1qvg h ALA 11 N 1.62 0.96 0.00 2.92 0.00 -1.05 -2.70 119.26 121.01 1qvg h ALA 11 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qvg h ALA 11 Cb 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qvg h ALA 11 CO -0.56 0.50 0.00 0.91 0.00 0.00 0.00 179.25 180.10 1qvg n TRP 12 N -4.43 0.00 0.20 0.00 7.02 -0.39 -3.06 117.44 116.78 1qvg n TRP 12 Ca 0.07 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.59 1qvg n TRP 12 Cb 0.11 -0.46 0.45 0.00 -2.42 0.00 0.00 31.31 29.00 1qvg n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1qvg h LYS 13 N 0.00 0.05 -2.13 -0.99 1.57 -1.07 -3.25 116.57 110.74 1qvg h LYS 13 Ca 0.00 -0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 1qvg h LYS 13 Cb 0.33 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.23 1qvg h LYS 13 CO 0.00 0.26 -0.90 0.54 -0.57 0.00 0.00 179.45 178.78 1qvg n ARG 14 N -4.27 1.36 0.00 3.15 1.74 -1.17 -4.97 116.66 112.50 1qvg n ARG 14 Ca -0.02 -3.78 0.00 0.00 -0.77 0.00 0.00 57.85 53.28 1qvg n ARG 14 Cb 0.28 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1qvg n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qvg n PRO 15 N 1.31 0.00 -0.13 5.56 -0.04 -1.23 -1.05 135.00 139.42 1qvg n PRO 15 Ca 0.25 0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1qvg n PRO 15 Cb 0.48 -1.51 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 1qvg n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qvg n LYS 16 N -0.94 2.24 -4.22 0.54 5.02 -1.26 -3.94 118.16 115.59 1qvg n LYS 16 Ca 0.00 -1.82 -0.24 0.00 -2.02 0.00 0.00 58.31 54.23 1qvg n LYS 16 Cb 0.01 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 1qvg n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qvg s GLU 17 N -0.99 2.47 0.00 1.97 0.41 -0.22 -4.76 118.70 117.58 1qvg s GLU 17 Ca 0.21 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 1qvg s GLU 17 Cb 0.12 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 1qvg s GLU 17 CO 0.16 0.41 0.00 0.41 -0.49 0.00 0.00 175.26 175.74 1qvg n GLY 18 N -0.66 1.00 0.37 -1.39 0.00 -1.26 -2.28 105.19 100.97 1qvg n GLY 18 Ca -0.08 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1qvg n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qvg h GLN 19 N 0.00 -0.42 -0.35 1.61 4.20 -1.98 -1.65 115.11 116.52 1qvg h GLN 19 Ca 0.00 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.84 1qvg h GLN 19 Cb 0.00 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1qvg h GLN 19 CO 0.00 -0.28 0.33 0.97 -0.67 0.00 0.00 178.83 179.18 1qvg h ILE 20 N -0.43 0.53 -0.29 2.54 2.10 -1.91 0.15 117.51 120.19 1qvg h ILE 20 Ca 0.09 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.01 1qvg h ILE 20 Cb 0.59 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 1qvg h ILE 20 CO -0.40 0.00 0.09 0.00 -1.08 0.00 0.00 178.15 176.77 1qvg h ALA 21 N 1.68 0.39 0.00 0.18 0.00 -0.86 -0.32 119.26 120.33 1qvg h ALA 21 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1qvg h ALA 21 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1qvg h ALA 21 CO -0.00 0.02 -0.26 1.49 0.00 0.00 0.00 179.25 180.49 1qvg h GLU 22 N 0.32 0.00 -0.21 0.00 4.81 -0.69 -2.33 114.58 116.47 1qvg h GLU 22 Ca 0.10 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1qvg h GLU 22 Cb 0.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1qvg h GLU 22 CO -0.00 0.26 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.28 1qvg h LEU 23 N 0.00 0.53 0.26 1.64 3.38 -0.61 -2.39 115.31 118.12 1qvg h LEU 23 Ca -0.00 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1qvg h LEU 23 Cb 0.87 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1qvg h LEU 23 CO 0.03 0.88 -0.12 0.24 0.09 0.00 0.00 178.44 179.57 1qvg h MET 24 N 0.18 -0.33 -1.07 1.13 2.86 -0.95 0.16 114.93 116.91 1qvg h MET 24 Ca 0.04 0.02 0.28 0.00 -2.06 0.00 0.00 59.70 57.98 1qvg h MET 24 Cb 0.73 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.37 1qvg h MET 24 CO 0.05 -0.12 0.69 2.35 1.06 0.00 0.00 176.91 180.94 1qvg h TRP 25 N -0.48 0.62 0.23 -0.22 7.01 -1.44 -0.69 115.95 120.97 1qvg h TRP 25 Ca -0.04 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1qvg h TRP 25 Cb 0.36 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1qvg h TRP 25 CO -0.02 0.03 -0.11 0.45 -2.79 0.00 0.00 178.44 176.00 1qvg h HIS 26 N 0.35 -0.28 -0.04 2.65 3.86 -0.87 -3.36 115.15 117.46 1qvg h HIS 26 Ca 0.61 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.83 1qvg h HIS 26 Cb 1.63 0.09 -0.03 0.00 1.06 0.00 0.00 27.41 30.16 1qvg h HIS 26 CO -0.00 -0.18 -0.30 0.00 0.86 0.00 0.00 177.93 178.31 1qvg h ARG 27 N -0.78 -0.34 -0.95 2.45 3.08 -0.13 -2.54 114.38 115.17 1qvg h ARG 27 Ca -0.03 0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.42 1qvg h ARG 27 Cb 0.23 0.08 -0.15 0.00 0.08 0.00 0.00 29.97 30.21 1qvg h ARG 27 CO 0.05 -0.23 0.55 -1.33 -1.07 0.00 0.00 179.97 177.94 1qvg n MET 28 N -4.16 -0.05 -0.37 0.04 2.81 -0.32 0.24 117.12 115.31 1qvg n MET 28 Ca -0.04 1.17 -0.00 0.00 -1.81 0.00 0.00 57.70 57.02 1qvg n MET 28 Cb 0.22 -2.15 0.14 0.00 -0.71 0.00 0.00 33.22 30.72 1qvg n MET 28 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1qvg h GLN 29 N 0.00 1.21 0.04 0.03 4.20 -1.60 0.29 115.11 119.29 1qvg h GLN 29 Ca 0.74 -0.07 -0.23 0.00 0.06 0.00 0.00 58.65 59.15 1qvg h GLN 29 Cb 2.08 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 29.58 1qvg h GLN 29 CO -0.60 0.80 -1.01 0.93 -0.67 0.00 0.00 178.83 178.28 1qvg h GLU 30 N 1.25 0.21 -0.52 1.46 5.08 0.29 -3.27 114.58 119.08 1qvg h GLU 30 Ca 0.39 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1qvg h GLU 30 Cb -0.00 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1qvg h GLU 30 CO -0.12 1.06 0.19 -1.49 -1.00 0.00 0.00 179.01 177.64 1qvg h TRP 31 N 0.09 0.81 0.00 4.33 6.55 0.00 -2.41 115.95 125.32 1qvg h TRP 31 Ca -0.07 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.70 1qvg h TRP 31 Cb 1.69 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 29.76 1qvg h TRP 31 CO 0.04 0.68 0.00 0.54 -1.05 0.00 0.00 178.44 178.65 1qvg n ARG 32 N -4.52 0.07 0.00 0.49 1.74 0.95 -0.69 116.66 114.70 1qvg n ARG 32 Ca 0.02 0.27 0.06 0.00 -0.77 0.00 0.00 57.85 57.42 1qvg n ARG 32 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1qvg n ARG 32 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1qvg n ASN 33 N -1.39 1.38 -4.81 0.55 3.02 -0.95 -4.98 115.26 108.09 1qvg n ASN 33 Ca 0.03 -1.19 -0.25 0.00 -0.03 0.00 0.00 54.58 53.14 1qvg n ASN 33 Cb 0.09 0.41 0.08 0.00 -0.61 0.00 0.00 39.78 39.75 1qvg n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qvg s GLU 34 N -1.40 1.99 0.04 3.52 2.02 0.13 -5.11 118.70 119.89 1qvg s GLU 34 Ca 0.10 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 1qvg s GLU 34 Cb 0.09 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 32.11 1qvg s GLU 34 CO 0.26 -1.32 0.04 -0.35 0.02 0.00 0.00 175.26 173.92 1qvg n PRO 35 N -2.90 -0.39 -0.03 0.39 -0.04 -1.26 -4.99 135.00 125.78 1qvg n PRO 35 Ca 0.10 -0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 1qvg n PRO 35 Cb 0.60 -0.05 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 1qvg n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qvg h ALA 36 N -2.00 0.18 -3.66 0.55 0.00 -1.91 -3.42 119.26 108.99 1qvg h ALA 36 Ca -0.01 -0.48 -0.62 0.00 0.00 0.00 0.00 54.91 53.79 1qvg h ALA 36 Cb 0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.44 1qvg h ALA 36 CO 0.01 0.32 -0.79 0.08 0.00 0.00 0.00 179.25 178.88 1qvg s VAL 37 N -3.69 1.64 -0.15 0.00 1.01 -1.26 -1.56 120.40 116.39 1qvg s VAL 37 Ca -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1qvg s VAL 37 Cb 0.05 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1qvg s VAL 37 CO 0.81 -0.12 -0.15 -0.69 0.00 0.00 0.00 175.10 174.96 1qvg s VAL 38 N 1.34 1.62 0.45 2.92 1.01 -0.82 -4.99 120.40 121.93 1qvg s VAL 38 Ca -0.06 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1qvg s VAL 38 Cb -0.19 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 1qvg s VAL 38 CO -0.06 0.47 1.16 -0.60 0.00 0.00 0.00 175.10 176.07 1qvg s ARG 39 N 1.45 3.80 -0.02 2.72 3.52 -1.26 -0.93 118.95 128.23 1qvg s ARG 39 Ca 0.05 1.78 0.01 0.00 -0.13 0.00 0.00 55.73 57.44 1qvg s ARG 39 Cb -0.13 -2.44 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 1qvg s ARG 39 CO -0.11 -0.52 -0.04 0.96 -0.81 0.00 0.00 175.30 174.78 1qvg s ILE 40 N -1.53 0.42 0.32 4.11 -4.36 -0.54 -4.88 121.20 114.74 1qvg s ILE 40 Ca 0.63 -0.13 0.03 0.00 -0.26 0.00 0.00 60.65 60.92 1qvg s ILE 40 Cb -0.29 -0.42 0.29 0.00 1.25 0.00 0.00 42.46 43.30 1qvg s ILE 40 CO 0.35 0.16 1.91 -0.33 0.24 0.00 0.00 174.94 177.27 1qvg h GLU 41 N 6.68 0.88 -4.87 0.37 5.08 -1.96 -3.39 114.58 117.36 1qvg h GLU 41 Ca -0.35 -0.05 -0.40 0.00 -1.00 0.00 0.00 59.36 57.55 1qvg h GLU 41 Cb 1.16 -0.20 -0.27 0.00 0.50 0.00 0.00 28.75 29.94 1qvg h GLU 41 CO 0.49 0.58 -0.78 1.03 -1.00 0.00 0.00 179.01 179.33 1qvg s ARG 42 N -5.82 0.79 0.29 2.33 1.81 -1.26 -4.95 118.95 112.14 1qvg s ARG 42 Ca -0.11 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.16 1qvg s ARG 42 Cb 0.20 -0.76 -0.11 0.00 -0.45 0.00 0.00 34.95 33.84 1qvg s ARG 42 CO 0.79 0.20 1.54 -2.14 -0.68 0.00 0.00 175.30 175.02 1qvg s PRO 43 N -0.49 4.16 0.44 3.54 0.02 -1.26 -4.91 135.00 136.49 1qvg s PRO 43 Ca 0.02 2.51 0.24 0.00 0.02 0.00 0.00 61.00 63.79 1qvg s PRO 43 Cb -0.05 -3.04 0.91 0.00 0.02 0.00 0.00 34.50 32.34 1qvg s PRO 43 CO -0.00 -0.57 1.82 1.15 -0.33 0.00 0.00 177.00 179.08 1qvg h THR 44 N 3.37 0.58 -2.65 0.99 2.02 -2.00 -3.32 112.91 111.90 1qvg h THR 44 Ca -0.47 -1.14 -0.61 0.00 0.77 0.00 0.00 66.41 64.96 1qvg h THR 44 Cb 1.22 1.77 -0.42 0.00 -1.74 0.00 0.00 68.15 68.99 1qvg h THR 44 CO 0.77 0.23 -0.62 0.54 0.37 0.00 0.00 175.52 176.81 1qvg n ARG 45 N -3.41 1.98 -0.23 6.66 1.74 -1.26 -4.98 116.66 117.16 1qvg n ARG 45 Ca 0.00 -4.45 -0.01 0.00 -0.77 0.00 0.00 57.85 52.63 1qvg n ARG 45 Cb 0.43 -2.20 0.06 0.00 -1.02 0.00 0.00 32.46 29.73 1qvg n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1qvg h LEU 46 N 4.86 -0.76 -0.09 0.55 6.46 -1.98 -0.60 115.31 123.76 1qvg h LEU 46 Ca 0.17 0.21 0.04 0.00 -0.12 0.00 0.00 57.88 58.19 1qvg h LEU 46 Cb 0.73 0.46 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 1qvg h LEU 46 CO 0.74 -0.25 -0.34 -2.24 -0.62 0.00 0.00 178.44 175.73 1qvg h ASP 47 N -0.03 -1.04 -0.13 1.25 2.03 -1.94 -1.64 116.42 114.93 1qvg h ASP 47 Ca 0.31 0.14 0.04 0.00 -0.73 0.00 0.00 57.03 56.79 1qvg h ASP 47 Cb 0.52 0.43 -0.07 0.00 -0.83 0.00 0.00 39.33 39.38 1qvg h ASP 47 CO -0.71 -0.38 -0.49 0.03 -1.03 0.00 0.00 179.24 176.66 1qvg h ARG 48 N -0.44 -0.53 0.40 4.15 2.47 -1.57 0.17 114.38 119.03 1qvg h ARG 48 Ca 0.08 0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 1qvg h ARG 48 Cb 0.57 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 1qvg h ARG 48 CO -0.33 -0.35 -0.48 0.00 0.56 0.00 0.00 179.97 179.36 1qvg h ALA 49 N -0.12 -1.03 -0.78 0.04 0.00 -1.06 0.12 119.26 116.44 1qvg h ALA 49 Ca 0.05 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.94 1qvg h ALA 49 Cb 0.67 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1qvg h ALA 49 CO -0.42 -1.13 0.34 0.00 0.00 0.00 0.00 179.25 178.05 1qvg h ARG 50 N -0.91 0.48 -0.33 0.00 3.08 -1.21 0.26 114.38 115.76 1qvg h ARG 50 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1qvg h ARG 50 Cb 0.82 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1qvg h ARG 50 CO -0.11 0.32 0.13 1.03 -1.07 0.00 0.00 179.97 180.28 1qvg h SER 51 N 0.50 0.41 1.50 7.04 0.87 -0.06 -2.12 113.55 121.69 1qvg h SER 51 Ca 0.42 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.85 1qvg h SER 51 Cb 0.62 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1qvg h SER 51 CO -0.39 0.38 -0.46 -0.07 -0.53 0.00 0.00 176.83 175.76 1qvg h LEU 52 N 0.46 0.00 0.00 2.23 3.38 0.21 -3.47 115.31 118.12 1qvg h LEU 52 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1qvg h LEU 52 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1qvg h LEU 52 CO -0.01 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1qvg n GLY 53 N 1.16 -0.90 3.73 0.83 0.00 0.12 -4.86 105.19 105.28 1qvg n GLY 53 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1qvg n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qvg s TYR 54 N 0.00 2.16 -0.20 1.61 5.04 0.31 -4.92 117.35 121.35 1qvg s TYR 54 Ca 0.00 1.58 -0.18 0.00 -2.44 0.00 0.00 57.07 56.03 1qvg s TYR 54 Cb 0.00 -3.44 0.05 0.00 0.35 0.00 0.00 41.96 38.92 1qvg s TYR 54 CO 0.00 -2.46 0.52 0.15 -1.34 0.00 0.00 175.55 172.42 1qvg s LYS 55 N -3.86 0.61 -1.16 4.97 1.02 -1.26 -4.31 119.74 115.75 1qvg s LYS 55 Ca 0.74 0.74 -0.19 0.00 0.02 0.00 0.00 55.97 57.28 1qvg s LYS 55 Cb -0.28 0.28 0.08 0.00 -0.52 0.00 0.00 37.83 37.40 1qvg s LYS 55 CO 0.43 -0.08 1.54 0.00 -0.92 0.00 0.00 175.35 176.32 1qvg s ALA 56 N 0.35 3.23 0.21 5.17 0.00 -1.26 -4.83 121.76 124.62 1qvg s ALA 56 Ca -0.01 -2.76 -0.02 0.00 0.00 0.00 0.00 51.96 49.18 1qvg s ALA 56 Cb -0.04 -4.47 -0.04 0.00 0.00 0.00 0.00 23.12 18.57 1qvg s ALA 56 CO -0.00 -3.29 0.16 0.21 0.00 0.00 0.00 175.76 172.84 1qvg s LYS 57 N 3.92 1.24 0.08 0.00 2.20 -1.26 -5.13 119.74 120.79 1qvg s LYS 57 Ca 0.47 -1.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.18 1qvg s LYS 57 Cb 0.01 0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 1qvg s LYS 57 CO -0.01 -0.42 0.97 -0.65 -0.36 0.00 0.00 175.35 174.88 1qvg s GLN 58 N -4.13 4.66 0.00 4.03 -0.21 -1.26 -3.47 119.66 119.28 1qvg s GLN 58 Ca 0.38 1.45 0.00 0.00 0.02 0.00 0.00 55.36 57.20 1qvg s GLN 58 Cb 0.06 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.67 1qvg s GLN 58 CO 0.12 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.83 1qvg n GLY 59 N 2.44 0.71 3.22 3.09 0.00 -1.26 -4.60 105.19 108.78 1qvg n GLY 59 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1qvg n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qvg s ILE 60 N -2.07 2.71 0.12 -0.61 1.01 -1.23 -0.50 121.20 120.63 1qvg s ILE 60 Ca 0.00 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 60.03 1qvg s ILE 60 Cb 0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1qvg s ILE 60 CO 0.00 0.48 -0.25 -0.63 0.00 0.00 0.00 174.94 174.55 1qvg s ILE 61 N 1.34 2.40 0.02 2.92 1.09 -0.08 -4.85 121.20 124.02 1qvg s ILE 61 Ca 0.05 -1.65 0.03 0.00 -1.10 0.00 0.00 60.65 57.98 1qvg s ILE 61 Cb -0.14 -2.06 -0.01 0.00 -1.06 0.00 0.00 42.46 39.19 1qvg s ILE 61 CO -0.08 0.13 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.10 1qvg s VAL 62 N -1.05 0.81 -0.11 2.92 1.01 -1.26 0.68 120.40 123.41 1qvg s VAL 62 Ca 0.15 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1qvg s VAL 62 Cb -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1qvg s VAL 62 CO 0.07 0.04 0.33 -0.69 0.00 0.00 0.00 175.10 174.85 1qvg s VAL 63 N -0.60 0.01 -0.06 2.92 1.01 -0.66 -1.47 120.40 121.55 1qvg s VAL 63 Ca 0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1qvg s VAL 63 Cb -0.06 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1qvg s VAL 63 CO 0.00 -0.03 0.36 -0.60 0.00 0.00 0.00 175.10 174.83 1qvg s ARG 64 N -0.01 4.00 -0.07 2.72 3.52 -0.10 -0.34 118.95 128.66 1qvg s ARG 64 Ca -0.02 0.29 0.04 0.00 -0.13 0.00 0.00 55.73 55.91 1qvg s ARG 64 Cb -0.03 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1qvg s ARG 64 CO 0.01 0.53 -0.19 0.08 -0.81 0.00 0.00 175.30 174.92 1qvg s VAL 65 N -0.50 1.63 -0.24 7.11 1.01 -0.28 -1.95 120.40 127.19 1qvg s VAL 65 Ca 0.21 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1qvg s VAL 65 Cb -0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1qvg s VAL 65 CO 0.10 0.46 0.13 0.00 0.00 0.00 0.00 175.10 175.79 1qvg s ALA 66 N 0.32 3.47 0.01 5.51 0.00 -0.60 -2.47 121.76 128.00 1qvg s ALA 66 Ca -0.13 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 50.96 1qvg s ALA 66 Cb -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1qvg s ALA 66 CO 0.05 -0.25 -0.22 0.42 0.00 0.00 0.00 175.76 175.77 1qvg s ILE 67 N 1.16 1.74 0.49 0.00 -1.09 -0.27 -4.89 121.20 118.34 1qvg s ILE 67 Ca 0.06 -1.09 -0.22 0.00 -2.23 0.00 0.00 60.65 57.18 1qvg s ILE 67 Cb -0.14 -1.48 -0.07 0.00 -1.58 0.00 0.00 42.46 39.20 1qvg s ILE 67 CO 0.05 0.36 1.17 0.00 -1.23 0.00 0.00 174.94 175.28 1qvg s ARG 68 N -0.86 3.59 0.76 2.79 3.03 -1.26 -1.57 118.95 125.43 1qvg s ARG 68 Ca 0.08 1.75 -0.07 0.00 2.03 0.00 0.00 55.73 59.52 1qvg s ARG 68 Cb -0.09 -2.27 0.10 0.00 -1.03 0.00 0.00 34.95 31.66 1qvg s ARG 68 CO 0.01 -0.68 1.07 0.15 -1.13 0.00 0.00 175.30 174.71 1qvg s LYS 69 N -2.89 1.82 0.00 3.89 1.02 0.25 -4.85 119.74 118.98 1qvg s LYS 69 Ca 0.67 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1qvg s LYS 69 Cb -0.28 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1qvg s LYS 69 CO 0.33 -1.49 0.00 0.41 -0.92 0.00 0.00 175.35 173.68 1qvg n GLY 70 N -3.07 -0.02 2.69 -3.33 0.00 -1.26 -5.02 105.19 95.18 1qvg n GLY 70 Ca 0.11 -1.96 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 1qvg n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qvg n SER 71 N -0.28 -1.73 -4.75 1.61 3.41 -1.26 -4.97 113.62 105.65 1qvg n SER 71 Ca 0.00 -1.03 -0.41 0.00 -0.26 0.00 0.00 58.87 57.17 1qvg n SER 71 Cb 0.00 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 1qvg n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qvg s SER 72 N -3.81 6.59 -0.88 4.04 0.15 -1.11 -4.93 113.70 113.74 1qvg s SER 72 Ca 0.54 2.76 -0.23 0.00 0.70 0.00 0.00 55.95 59.73 1qvg s SER 72 Cb -0.05 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.69 1qvg s SER 72 CO 0.41 -0.74 1.27 -0.13 1.20 0.00 0.00 173.24 175.26 1qvg s ARG 73 N -0.75 3.43 -0.02 5.44 3.00 -1.26 -4.93 118.95 123.86 1qvg s ARG 73 Ca 0.58 -1.02 0.05 0.00 0.00 0.00 0.00 55.73 55.33 1qvg s ARG 73 Cb -0.43 -4.83 -0.03 0.00 0.00 0.00 0.00 34.95 29.66 1qvg s ARG 73 CO 0.47 -2.04 -0.15 0.50 0.00 0.00 0.00 175.30 174.08 1qvg s ARG 74 N 4.51 2.38 -0.06 3.54 3.52 -1.26 -5.12 118.95 126.46 1qvg s ARG 74 Ca 0.37 -0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 55.00 1qvg s ARG 74 Cb -0.05 -2.32 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 1qvg s ARG 74 CO -0.01 0.60 0.53 0.99 -0.81 0.00 0.00 175.30 176.59 1qvg s THR 75 N -0.80 5.06 0.76 4.11 2.01 -1.26 -4.99 115.64 120.53 1qvg s THR 75 Ca 0.13 1.08 -0.14 0.00 0.31 0.00 0.00 61.69 63.07 1qvg s THR 75 Cb -0.11 -3.86 0.05 0.00 0.01 0.00 0.00 72.50 68.59 1qvg s THR 75 CO 0.02 0.38 1.20 -0.60 -0.69 0.00 0.00 174.62 174.93 1qvg s ARG 76 N 0.17 2.00 0.41 4.92 3.52 -1.26 -4.96 118.95 123.75 1qvg s ARG 76 Ca 0.28 1.72 -0.26 0.00 -0.13 0.00 0.00 55.73 57.34 1qvg s ARG 76 Cb -0.17 -1.82 -0.09 0.00 -1.56 0.00 0.00 34.95 31.31 1qvg s ARG 76 CO 0.14 -1.93 1.37 -0.59 -0.81 0.00 0.00 175.30 173.47 1qvg s PHE 77 N -2.09 2.68 -1.67 5.12 -0.12 -1.26 -4.94 117.98 115.69 1qvg s PHE 77 Ca 0.73 1.33 0.14 0.00 -0.05 0.00 0.00 56.93 59.08 1qvg s PHE 77 Cb -0.28 -3.80 0.19 0.00 -0.63 0.00 0.00 43.02 38.49 1qvg s PHE 77 CO 0.47 -2.49 1.06 0.09 -0.05 0.00 0.00 175.22 174.30 1qvg n ASN 78 N 0.11 2.47 -1.99 1.98 4.13 -1.26 -5.01 115.26 115.68 1qvg n ASN 78 Ca 0.04 -1.71 -0.08 0.00 1.68 0.00 0.00 54.58 54.51 1qvg n ASN 78 Cb 0.42 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.56 1qvg n ASN 78 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1qvg n LYS 79 N 0.82 0.24 -1.70 3.52 4.76 -1.26 -5.13 118.16 119.41 1qvg n LYS 79 Ca 0.10 -1.45 -0.43 0.00 -2.87 0.00 0.00 58.31 53.65 1qvg n LYS 79 Cb 0.39 1.26 -0.02 0.00 -1.84 0.00 0.00 35.03 34.82 1qvg n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qvg n GLY 80 N -0.28 1.11 3.23 0.72 0.00 -1.26 -5.00 105.19 103.70 1qvg n GLY 80 Ca 0.02 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 1qvg n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qvg s ARG 81 N -0.11 0.40 0.59 1.61 3.00 -1.26 -5.14 118.95 118.04 1qvg s ARG 81 Ca 0.69 0.44 -0.15 0.00 0.00 0.00 0.00 55.73 56.71 1qvg s ARG 81 Cb -0.58 0.20 -0.04 0.00 0.00 0.00 0.00 34.95 34.52 1qvg s ARG 81 CO 0.46 -0.05 1.03 -0.98 0.00 0.00 0.00 175.30 175.76 1qvg s ARG 82 N 0.12 3.48 0.24 3.54 1.70 -1.26 -4.79 118.95 121.98 1qvg s ARG 82 Ca -0.01 1.06 -0.16 0.00 -0.47 0.00 0.00 55.73 56.15 1qvg s ARG 82 Cb -0.02 -2.06 0.27 0.00 -0.57 0.00 0.00 34.95 32.56 1qvg s ARG 82 CO 0.01 -0.66 1.56 0.66 -1.08 0.00 0.00 175.30 175.78 1qvg h SER 83 N 0.37 -1.33 -1.34 -2.89 4.64 -2.01 0.62 113.55 111.61 1qvg h SER 83 Ca -0.46 0.30 0.42 0.00 -0.47 0.00 0.00 61.79 61.58 1qvg h SER 83 Cb 1.21 0.72 -0.11 0.00 -0.31 0.00 0.00 62.40 63.91 1qvg h SER 83 CO 0.59 -0.30 0.88 0.50 -0.87 0.00 0.00 176.83 177.64 1qvg h LYS 84 N -0.01 0.11 -0.39 4.77 3.11 -2.04 0.15 116.57 122.26 1qvg h LYS 84 Ca 0.36 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1qvg h LYS 84 Cb 0.61 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1qvg h LYS 84 CO -0.97 0.07 0.00 0.54 -2.81 0.00 0.00 179.45 176.28 1qvg n ARG 85 N -4.57 3.64 -0.36 1.90 5.12 0.22 -4.35 116.66 118.26 1qvg n ARG 85 Ca 0.35 -2.92 0.07 0.00 -1.93 0.00 0.00 57.85 53.43 1qvg n ARG 85 Cb 1.40 -1.96 0.24 0.00 -1.16 0.00 0.00 32.46 30.98 1qvg n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1qvg n MET 86 N 0.02 2.59 -1.90 5.56 2.81 0.54 -4.83 117.12 121.91 1qvg n MET 86 Ca 0.23 -1.90 -0.38 0.00 -1.81 0.00 0.00 57.70 53.84 1qvg n MET 86 Cb 0.97 -1.57 0.03 0.00 -0.71 0.00 0.00 33.22 31.94 1qvg n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qvg s MET 87 N -1.57 3.30 0.36 0.03 0.00 -1.26 -4.89 119.30 115.27 1qvg s MET 87 Ca 0.35 2.12 0.00 0.00 0.00 0.00 0.00 55.69 58.16 1qvg s MET 87 Cb 0.21 -2.30 0.00 0.00 0.00 0.00 0.00 34.83 32.73 1qvg s MET 87 CO 0.19 -1.03 0.00 0.28 0.00 0.00 0.00 175.02 174.47 1qvg n VAL 88 N -0.88 0.00 0.37 5.16 0.31 -1.26 -4.81 118.33 117.22 1qvg n VAL 88 Ca 0.09 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.25 1qvg n VAL 88 Cb 0.46 -0.34 -0.09 0.00 -0.91 0.00 0.00 33.84 32.96 1qvg n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1qvg h ASN 89 N 0.00 -0.79 0.00 4.52 2.35 -1.94 -3.25 115.58 116.48 1qvg h ASN 89 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qvg h ASN 89 Cb 0.00 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1qvg h ASN 89 CO 0.00 -0.51 0.00 0.54 -1.65 0.00 0.00 177.43 175.81 1qvg n ARG 90 N -5.46 0.93 -2.42 0.81 1.74 -1.26 -4.82 116.66 106.18 1qvg n ARG 90 Ca -0.13 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 1qvg n ARG 90 Cb 0.38 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 1qvg n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qvg s ILE 91 N -2.00 3.90 0.09 0.55 1.01 -1.23 -5.00 121.20 118.53 1qvg s ILE 91 Ca 0.36 1.44 0.08 0.00 0.00 0.00 0.00 60.65 62.53 1qvg s ILE 91 Cb 0.17 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1qvg s ILE 91 CO 0.28 0.16 -0.20 0.42 0.00 0.00 0.00 174.94 175.60 1qvg s THR 92 N 0.64 1.61 0.69 2.92 -4.23 -1.26 -2.73 115.64 113.27 1qvg s THR 92 Ca 0.56 -1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.47 1qvg s THR 92 Cb -0.30 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.08 1qvg s THR 92 CO 0.32 -0.06 1.09 -0.13 -0.54 0.00 0.00 174.62 175.29 1qvg s ARG 93 N -1.81 2.76 0.00 3.99 1.81 -1.26 -4.87 118.95 119.57 1qvg s ARG 93 Ca 0.05 1.21 0.18 0.00 -1.72 0.00 0.00 55.73 55.46 1qvg s ARG 93 Cb -0.10 -1.96 0.65 0.00 -0.45 0.00 0.00 34.95 33.10 1qvg s ARG 93 CO 0.04 -1.26 1.48 1.63 -0.68 0.00 0.00 175.30 176.51 1qvg n LYS 94 N -2.80 1.72 -4.07 3.54 5.02 -1.26 -4.76 118.16 115.55 1qvg n LYS 94 Ca 0.09 -1.09 -0.34 0.00 -2.02 0.00 0.00 58.31 54.95 1qvg n LYS 94 Cb 0.53 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 34.03 1qvg n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1qvg s LYS 95 N -1.74 3.15 0.60 1.97 2.20 -1.26 -4.99 119.74 119.67 1qvg s LYS 95 Ca 0.30 -0.75 -0.18 0.00 -0.36 0.00 0.00 55.97 54.99 1qvg s LYS 95 Cb 0.16 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 1qvg s LYS 95 CO 0.23 -0.19 1.13 0.54 -0.36 0.00 0.00 175.35 176.71 1qvg s ASN 96 N 1.32 5.38 0.31 1.43 4.22 -1.26 -4.84 114.94 121.51 1qvg s ASN 96 Ca 0.04 2.14 0.08 0.00 -2.14 0.00 0.00 52.86 52.98 1qvg s ASN 96 Cb -0.14 -2.57 0.83 0.00 1.28 0.00 0.00 41.25 40.65 1qvg s ASN 96 CO -0.08 -1.45 1.74 0.40 -2.04 0.00 0.00 177.10 175.67 1qvg h ILE 97 N 0.68 0.58 -0.83 0.54 2.04 -1.97 0.27 117.51 118.82 1qvg h ILE 97 Ca -0.49 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1qvg h ILE 97 Cb 1.26 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1qvg h ILE 97 CO 0.55 0.11 0.54 -0.61 0.00 0.00 0.00 178.15 178.75 1qvg h GLN 98 N 0.61 0.98 0.00 2.37 4.15 -1.99 0.36 115.11 121.60 1qvg h GLN 98 Ca 0.62 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.85 1qvg h GLN 98 Cb 1.12 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1qvg h GLN 98 CO -0.46 0.65 -0.63 -0.09 -1.93 0.00 0.00 178.83 176.37 1qvg h ARG 99 N 1.01 0.00 -0.17 1.69 2.43 -0.83 -1.49 114.38 117.03 1qvg h ARG 99 Ca 0.33 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1qvg h ARG 99 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1qvg h ARG 99 CO -0.10 0.63 0.02 0.82 -1.51 0.00 0.00 179.97 179.83 1qvg h ILE 100 N 0.00 1.23 0.01 1.20 2.04 -0.74 -2.39 117.51 118.86 1qvg h ILE 100 Ca -0.01 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1qvg h ILE 100 Cb 1.13 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 1qvg h ILE 100 CO 0.08 0.23 -0.47 0.00 0.00 0.00 0.00 178.15 177.99 1qvg h ALA 101 N 0.80 -0.79 -0.83 1.87 0.00 -0.63 -0.16 119.26 119.53 1qvg h ALA 101 Ca 0.05 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1qvg h ALA 101 Cb 0.33 0.83 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1qvg h ALA 101 CO 0.01 -1.03 0.06 0.93 0.00 0.00 0.00 179.25 179.22 1qvg h GLU 102 N -0.63 0.11 0.12 0.00 5.08 -1.15 0.21 114.58 118.33 1qvg h GLU 102 Ca 0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1qvg h GLU 102 Cb 0.69 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1qvg h GLU 102 CO -0.33 0.07 -0.06 0.93 -1.00 0.00 0.00 179.01 178.62 1qvg h GLU 103 N 0.11 -0.16 -0.41 2.33 5.08 -0.76 -0.93 114.58 119.85 1qvg h GLU 103 Ca 0.48 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.93 1qvg h GLU 103 Cb 0.90 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.10 1qvg h GLU 103 CO -0.71 0.08 -0.11 0.00 -1.00 0.00 0.00 179.01 177.27 1qvg h ARG 104 N -0.38 -0.01 -0.06 2.33 3.08 0.54 -0.22 114.38 119.66 1qvg h ARG 104 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1qvg h ARG 104 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1qvg h ARG 104 CO 0.03 -0.01 -0.15 0.00 -1.07 0.00 0.00 179.97 178.78 1qvg h ALA 105 N 1.39 -0.12 -0.94 0.04 0.00 -0.98 -2.52 119.26 116.13 1qvg h ALA 105 Ca 0.20 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1qvg h ALA 105 Cb 0.31 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1qvg h ALA 105 CO -0.42 -0.62 0.58 -0.97 0.00 0.00 0.00 179.25 177.82 1qvg h ASN 106 N -0.21 0.86 -0.11 0.00 -0.73 0.29 -0.65 115.58 115.03 1qvg h ASN 106 Ca 0.07 0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.24 1qvg h ASN 106 Cb 0.31 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1qvg h ASN 106 CO -0.19 0.49 -0.04 0.03 -0.37 0.00 0.00 177.43 177.35 1qvg h ARG 107 N 0.96 0.36 0.00 6.67 3.08 -0.73 -1.43 114.38 123.29 1qvg h ARG 107 Ca 0.45 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1qvg h ARG 107 Cb 0.38 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1qvg h ARG 107 CO -0.24 0.42 -0.11 0.87 -1.07 0.00 0.00 179.97 179.84 1qvg h LYS 108 N 0.35 0.00 -2.18 0.04 1.79 -0.71 -3.24 116.57 112.61 1qvg h LYS 108 Ca 0.08 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.98 1qvg h LYS 108 Cb 0.30 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.54 1qvg h LYS 108 CO 0.01 0.11 -0.80 1.19 -1.08 0.00 0.00 179.45 178.88 1qvg n PHE 109 N -3.33 2.75 -0.41 -1.35 3.01 -0.55 -4.98 117.46 112.60 1qvg n PHE 109 Ca -0.00 -3.95 0.35 0.00 1.01 0.00 0.00 57.45 54.85 1qvg n PHE 109 Cb 0.31 -0.48 0.58 0.00 -0.01 0.00 0.00 39.48 39.89 1qvg n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1qvg n PRO 110 N 0.21 -0.03 0.14 -1.08 -0.04 -1.12 -0.12 135.00 132.96 1qvg n PRO 110 Ca 0.29 1.07 0.09 0.00 -0.04 0.00 0.00 63.50 64.91 1qvg n PRO 110 Cb 0.47 -2.12 0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1qvg n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1qvg h ASN 111 N 0.00 0.00 -3.56 3.54 -1.07 -1.94 -3.47 115.58 109.09 1qvg h ASN 111 Ca 0.76 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 56.65 1qvg h ASN 111 Cb 2.45 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 38.75 1qvg h ASN 111 CO -0.39 0.12 0.13 -0.76 0.07 0.00 0.00 177.43 176.61 1qvg s LEU 112 N -5.85 3.39 0.05 6.14 1.43 0.83 -4.51 118.68 120.17 1qvg s LEU 112 Ca 0.03 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 53.95 1qvg s LEU 112 Cb 0.08 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1qvg s LEU 112 CO 0.74 -0.88 -0.21 -0.13 0.23 0.00 0.00 176.35 176.11 1qvg s ARG 113 N -4.88 1.39 0.07 1.70 0.52 -0.70 -4.91 118.95 112.15 1qvg s ARG 113 Ca 0.51 -0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1qvg s ARG 113 Cb -0.10 -1.53 -0.05 0.00 0.52 0.00 0.00 34.95 33.78 1qvg s ARG 113 CO 0.45 0.39 1.09 0.08 0.02 0.00 0.00 175.30 177.33 1qvg s VAL 114 N -0.84 4.29 -0.27 3.52 1.01 -1.26 -1.08 120.40 125.77 1qvg s VAL 114 Ca 0.08 1.72 -0.15 0.00 0.00 0.00 0.00 61.98 63.62 1qvg s VAL 114 Cb -0.09 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 1qvg s VAL 114 CO 0.02 0.18 -0.24 -0.11 0.00 0.00 0.00 175.10 174.94 1qvg n LEU 115 N 3.50 1.94 -3.69 3.92 -0.00 0.18 -4.83 117.00 118.02 1qvg n LEU 115 Ca 0.06 0.35 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1qvg n LEU 115 Cb 0.48 -0.85 -0.00 0.00 -0.00 0.00 0.00 43.42 43.05 1qvg n LEU 115 CO 0.54 0.52 0.97 0.21 -0.00 0.00 0.00 177.39 179.62 1qvg s ASN 116 N -7.38 -0.08 0.09 1.96 3.84 -1.20 -4.67 114.94 107.51 1qvg s ASN 116 Ca -0.37 -0.24 -0.14 0.00 0.21 0.00 0.00 52.86 52.32 1qvg s ASN 116 Cb 0.13 0.26 0.02 0.00 -0.55 0.00 0.00 41.25 41.12 1qvg s ASN 116 CO 0.51 -0.49 0.33 -0.94 -2.79 0.00 0.00 177.10 173.73 1qvg s SER 117 N -3.06 -0.14 0.14 -4.21 1.04 -1.26 -0.64 113.70 105.57 1qvg s SER 117 Ca 0.15 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 1qvg s SER 117 Cb 0.03 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1qvg s SER 117 CO -0.02 -0.76 0.20 -0.72 0.98 0.00 0.00 173.24 172.93 1qvg s TYR 118 N -3.42 0.49 0.44 5.02 -0.85 -0.49 -4.95 117.35 113.59 1qvg s TYR 118 Ca 0.01 -0.87 -0.10 0.00 -0.52 0.00 0.00 57.07 55.59 1qvg s TYR 118 Cb 0.02 -0.18 -0.06 0.00 0.38 0.00 0.00 41.96 42.12 1qvg s TYR 118 CO -0.09 -0.63 0.81 0.45 -1.52 0.00 0.00 175.55 174.57 1qvg s SER 119 N -2.97 6.46 -0.28 -0.18 0.15 -1.26 0.41 113.70 116.03 1qvg s SER 119 Ca 0.17 1.14 0.21 0.00 0.70 0.00 0.00 55.95 58.17 1qvg s SER 119 Cb 0.05 -2.33 0.49 0.00 -1.71 0.00 0.00 66.02 62.52 1qvg s SER 119 CO -0.02 -0.48 1.11 1.33 1.20 0.00 0.00 173.24 176.38 1qvg n VAL 120 N -1.60 1.11 -1.23 4.45 0.24 -0.20 -4.75 118.33 116.34 1qvg n VAL 120 Ca 0.03 -2.80 0.00 0.00 -2.04 0.00 0.00 64.34 59.52 1qvg n VAL 120 Cb 0.54 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 1qvg n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qvg n GLY 121 N -0.54 -2.22 3.63 7.63 0.00 -1.25 -4.73 105.19 107.70 1qvg n GLY 121 Ca 0.06 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 1qvg n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qvg s GLU 122 N -0.22 0.23 0.00 1.61 -1.05 -1.26 -2.20 118.70 115.81 1qvg s GLU 122 Ca 0.00 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 1qvg s GLU 122 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1qvg s GLU 122 CO 0.00 -0.05 0.00 -0.40 0.95 0.00 0.00 175.26 175.76 1qvg n ASP 123 N 1.15 0.00 0.15 0.83 5.68 -1.23 -4.98 116.55 118.15 1qvg n ASP 123 Ca -0.07 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.24 1qvg n ASP 123 Cb 0.58 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.95 1qvg n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1qvg h GLY 124 N 0.00 0.16 0.00 6.12 0.00 -2.04 -3.38 103.07 103.93 1qvg h GLY 124 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1qvg h GLY 124 CO 0.00 0.10 -0.61 -0.96 0.00 0.00 0.00 176.54 175.07 1qvg n ARG 125 N -4.23 2.39 -2.41 4.80 1.85 -1.26 -4.93 116.66 112.86 1qvg n ARG 125 Ca -0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.58 1qvg n ARG 125 Cb 0.30 -0.80 0.14 0.00 -1.05 0.00 0.00 32.46 31.05 1qvg n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1qvg s HIS 126 N -1.37 1.35 -0.29 2.89 3.76 -1.26 0.84 115.29 121.22 1qvg s HIS 126 Ca 0.00 -0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.60 1qvg s HIS 126 Cb 0.00 -3.35 0.11 0.00 1.11 0.00 0.00 32.58 30.45 1qvg s HIS 126 CO 0.00 -2.11 0.66 0.15 -0.85 0.00 0.00 174.74 172.59 1qvg s LYS 127 N -5.40 0.63 -0.03 1.40 1.02 -0.61 -3.56 119.74 113.20 1qvg s LYS 127 Ca 0.70 1.34 0.05 0.00 0.02 0.00 0.00 55.97 58.09 1qvg s LYS 127 Cb -0.04 0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 37.77 1qvg s LYS 127 CO 0.48 -0.18 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.96 1qvg s TRP 128 N 2.30 2.57 0.05 3.18 0.51 -0.93 -1.11 118.94 125.51 1qvg s TRP 128 Ca -0.08 -0.26 0.01 0.00 -2.12 0.00 0.00 56.10 53.66 1qvg s TRP 128 Cb -0.09 -1.56 -0.03 0.00 -0.81 0.00 0.00 33.47 30.98 1qvg s TRP 128 CO -0.19 0.13 -0.06 -1.01 -0.51 0.00 0.00 176.95 175.31 1qvg s HIS 129 N -0.73 0.62 -0.11 -1.98 3.76 -1.03 -1.03 115.29 114.79 1qvg s HIS 129 Ca 0.12 -0.70 -0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1qvg s HIS 129 Cb -0.10 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.18 1qvg s HIS 129 CO 0.01 -0.17 -0.10 -1.21 -0.85 0.00 0.00 174.74 172.43 1qvg s GLU 130 N -2.48 3.18 -0.09 1.40 2.02 0.17 -1.13 118.70 121.77 1qvg s GLU 130 Ca -0.03 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1qvg s GLU 130 Cb -0.03 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 1qvg s GLU 130 CO -0.03 0.38 -0.09 0.08 0.02 0.00 0.00 175.26 175.63 1qvg s VAL 131 N -0.07 3.51 -0.25 2.63 1.01 0.54 -1.39 120.40 126.37 1qvg s VAL 131 Ca -0.01 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1qvg s VAL 131 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1qvg s VAL 131 CO 0.03 0.57 0.30 -0.63 0.00 0.00 0.00 175.10 175.37 1qvg s ILE 132 N -0.42 5.24 0.27 2.22 1.01 0.19 -1.65 121.20 128.07 1qvg s ILE 132 Ca 0.06 0.46 0.12 0.00 0.00 0.00 0.00 60.65 61.28 1qvg s ILE 132 Cb -0.12 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1qvg s ILE 132 CO 0.02 0.24 -0.20 -0.76 0.00 0.00 0.00 174.94 174.24 1qvg s LEU 133 N 1.59 2.58 -0.01 2.97 1.02 0.22 -0.65 118.68 126.39 1qvg s LEU 133 Ca 0.13 -1.02 0.03 0.00 0.02 0.00 0.00 54.13 53.29 1qvg s LEU 133 Cb -0.15 -1.09 -0.01 0.00 0.02 0.00 0.00 46.19 44.96 1qvg s LEU 133 CO 0.08 0.04 -0.10 -0.63 0.02 0.00 0.00 176.35 175.76 1qvg s ILE 134 N -2.46 0.78 -0.73 -0.59 -1.09 -0.24 -0.91 121.20 115.96 1qvg s ILE 134 Ca 0.29 -0.42 -0.19 0.00 -2.23 0.00 0.00 60.65 58.10 1qvg s ILE 134 Cb -0.05 -0.65 0.12 0.00 -1.58 0.00 0.00 42.46 40.29 1qvg s ILE 134 CO 0.14 0.22 0.89 -0.62 -1.23 0.00 0.00 174.94 174.34 1qvg s ASP 135 N -0.23 6.37 0.00 3.58 -1.08 0.34 -1.72 116.67 123.94 1qvg s ASP 135 Ca 0.04 -1.66 0.04 0.00 -0.52 0.00 0.00 52.55 50.45 1qvg s ASP 135 Cb -0.04 -2.34 0.25 0.00 -1.46 0.00 0.00 42.92 39.33 1qvg s ASP 135 CO -0.00 -1.11 0.61 -0.81 0.52 0.00 0.00 175.17 174.38 1qvg n PRO 136 N 6.41 0.24 -0.00 4.34 -0.04 -1.26 -1.95 135.00 142.74 1qvg n PRO 136 Ca 0.04 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1qvg n PRO 136 Cb 0.45 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1qvg n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qvg n ASP 137 N -0.78 0.55 -4.65 3.54 8.00 -1.26 -4.74 116.55 117.21 1qvg n ASP 137 Ca 0.03 -0.65 -0.41 0.00 0.71 0.00 0.00 54.79 54.48 1qvg n ASP 137 Cb 0.01 1.02 -0.05 0.00 -0.02 0.00 0.00 41.12 42.08 1qvg n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1qvg s HIS 138 N -1.81 3.34 1.21 1.24 2.46 -0.82 -4.98 115.29 115.93 1qvg s HIS 138 Ca 0.03 0.98 -0.14 0.00 0.47 0.00 0.00 55.06 56.39 1qvg s HIS 138 Cb 0.06 -2.88 0.30 0.00 -0.13 0.00 0.00 32.58 29.93 1qvg s HIS 138 CO 0.33 -0.26 1.01 -1.25 -2.47 0.00 0.00 174.74 172.10 1qvg s PRO 139 N 2.26 -1.25 0.00 2.88 0.04 -1.26 -1.97 135.00 135.70 1qvg s PRO 139 Ca 0.30 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1qvg s PRO 139 Cb -0.16 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1qvg s PRO 139 CO 0.10 -3.89 0.00 0.00 0.04 0.00 0.00 177.00 173.24 1qvg n ALA 140 N -5.01 0.00 -0.04 8.56 0.00 -1.26 -4.41 120.51 118.35 1qvg n ALA 140 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 1qvg n ALA 140 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 1qvg n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1qvg n ILE 141 N -0.97 0.47 0.16 0.00 5.41 -0.83 -3.45 119.36 120.14 1qvg n ILE 141 Ca 0.00 -0.25 0.01 0.00 1.00 0.00 0.00 62.75 63.51 1qvg n ILE 141 Cb 0.00 -0.81 0.25 0.00 -0.71 0.00 0.00 39.64 38.36 1qvg n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1qvg h LYS 142 N 0.00 0.00 -0.24 0.38 1.57 -1.68 -2.87 116.57 113.73 1qvg h LYS 142 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1qvg h LYS 142 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1qvg h LYS 142 CO -0.01 0.52 0.00 0.43 -0.57 0.00 0.00 179.45 179.82 1qvg n SER 143 N -3.86 3.10 -4.59 0.86 7.64 -1.26 -4.73 113.62 110.78 1qvg n SER 143 Ca -0.01 -1.96 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 1qvg n SER 143 Cb 0.54 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 1qvg n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qvg s ASP 144 N -1.69 6.53 0.00 6.43 -1.08 -1.10 -4.88 116.67 120.89 1qvg s ASP 144 Ca 0.35 0.37 0.03 0.00 -0.52 0.00 0.00 52.55 52.78 1qvg s ASP 144 Cb 0.21 -2.37 0.18 0.00 -1.46 0.00 0.00 42.92 39.48 1qvg s ASP 144 CO 0.31 -0.63 0.72 0.47 0.52 0.00 0.00 175.17 176.56 1qvg n ASP 145 N 6.19 0.00 -0.08 -0.34 8.00 -1.26 -0.86 116.55 128.19 1qvg n ASP 145 Ca 0.01 -0.02 0.01 0.00 0.71 0.00 0.00 54.79 55.50 1qvg n ASP 145 Cb 0.48 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 1qvg n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qvg n GLN 146 N -1.06 -0.30 0.00 -1.24 6.02 -1.26 -4.76 117.38 114.78 1qvg n GLN 146 Ca 0.02 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 1qvg n GLN 146 Cb 0.01 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1qvg n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qvg n LEU 147 N 0.06 0.00 0.01 1.08 4.77 -0.89 -4.84 117.00 117.20 1qvg n LEU 147 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1qvg n LEU 147 Cb 0.08 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1qvg n LEU 147 CO 0.01 0.00 0.53 -1.54 -1.33 0.00 0.00 177.39 175.06 1qvg n SER 148 N 0.00 0.02 0.21 -1.43 3.41 -0.04 -0.70 113.62 115.10 1qvg n SER 148 Ca 0.00 0.25 0.09 0.00 -0.26 0.00 0.00 58.87 58.95 1qvg n SER 148 Cb 0.00 -0.25 0.43 0.00 -0.26 0.00 0.00 64.21 64.14 1qvg n SER 148 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1qvg h TRP 149 N 0.00 0.00 -0.00 7.33 5.08 -1.87 -2.61 115.95 123.88 1qvg h TRP 149 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1qvg h TRP 149 Cb 0.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 1qvg h TRP 149 CO 0.00 0.26 -0.04 1.51 -1.28 0.00 0.00 178.44 178.89 1qvg n ILE 150 N -3.44 0.00 0.19 0.12 3.06 0.13 -2.92 119.36 116.50 1qvg n ILE 150 Ca -0.00 -0.01 0.12 0.00 -2.50 0.00 0.00 62.75 60.35 1qvg n ILE 150 Cb 0.44 -0.38 0.12 0.00 0.54 0.00 0.00 39.64 40.36 1qvg n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1qvg h SER 151 N 0.13 0.00 -3.28 9.51 0.02 -1.63 -3.46 113.55 114.84 1qvg h SER 151 Ca 0.00 -0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1qvg h SER 151 Cb 0.33 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.00 1qvg h SER 151 CO 0.00 0.00 0.35 0.54 -1.14 0.00 0.00 176.83 176.58 1qvg n ARG 152 N -2.98 1.70 -0.33 3.45 5.12 -1.15 -4.87 116.66 117.61 1qvg n ARG 152 Ca 0.03 0.61 -0.02 0.00 -1.93 0.00 0.00 57.85 56.53 1qvg n ARG 152 Cb 0.54 -2.22 0.10 0.00 -1.16 0.00 0.00 32.46 29.72 1qvg n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1qvg h THR 153 N 1.92 1.18 0.00 0.55 2.02 -1.91 -1.87 112.91 114.80 1qvg h THR 153 Ca -0.46 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1qvg h THR 153 Cb 1.31 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1qvg h THR 153 CO 0.59 0.21 0.13 0.54 0.37 0.00 0.00 175.52 177.36 1qvg n ARG 154 N -4.50 0.00 -0.26 6.66 1.74 -1.26 -0.51 116.66 118.52 1qvg n ARG 154 Ca 0.11 0.24 0.07 0.00 -0.77 0.00 0.00 57.85 57.49 1qvg n ARG 154 Cb 0.06 -1.63 0.20 0.00 -1.02 0.00 0.00 32.46 30.06 1qvg n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1qvg n HIS 155 N -1.19 0.65 -1.71 -1.55 8.25 -0.70 -4.97 115.22 113.99 1qvg n HIS 155 Ca 0.00 -0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 56.47 1qvg n HIS 155 Cb 0.13 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1qvg n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1qvg s ARG 156 N -1.35 4.14 -1.15 -0.41 0.52 0.33 -2.70 118.95 118.32 1qvg s ARG 156 Ca 0.30 2.58 -0.03 0.00 -0.52 0.00 0.00 55.73 58.07 1qvg s ARG 156 Cb 0.18 -3.90 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 1qvg s ARG 156 CO 0.17 -0.90 0.94 1.28 0.02 0.00 0.00 175.30 176.81 1qvg n LEU 157 N 6.68 -4.49 -0.08 2.53 4.77 -1.26 -4.93 117.00 120.21 1qvg n LEU 157 Ca 0.19 -0.68 -0.07 0.00 -0.03 0.00 0.00 56.01 55.42 1qvg n LEU 157 Cb 0.40 -3.11 -0.01 0.00 -2.33 0.00 0.00 43.42 38.38 1qvg n LEU 157 CO 0.67 0.29 0.81 0.03 -1.33 0.00 0.00 177.39 177.85 1qvg h ARG 158 N -1.62 -0.00 -0.61 3.23 3.08 -1.87 -2.89 114.38 113.70 1qvg h ARG 158 Ca -0.60 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.52 1qvg h ARG 158 Cb 1.33 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.32 1qvg h ARG 158 CO 0.48 -0.00 0.29 1.79 -1.07 0.00 0.00 179.97 181.46 1qvg h THR 159 N -0.00 0.88 0.00 2.04 1.35 -1.90 -1.15 112.91 114.12 1qvg h THR 159 Ca 0.14 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1qvg h THR 159 Cb 0.22 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1qvg h THR 159 CO -0.31 0.10 0.00 0.49 -0.25 0.00 0.00 175.52 175.55 1qvg n PHE 160 N -4.89 0.15 0.06 4.73 3.01 -1.09 -0.67 117.46 118.75 1qvg n PHE 160 Ca 0.08 0.07 0.03 0.00 1.01 0.00 0.00 57.45 58.63 1qvg n PHE 160 Cb 0.21 -0.61 0.05 0.00 -0.01 0.00 0.00 39.48 39.12 1qvg n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1qvg n ARG 161 N -1.65 1.45 -1.56 -1.08 1.74 -0.72 -4.98 116.66 109.86 1qvg n ARG 161 Ca 0.01 -1.33 -0.10 0.00 -0.77 0.00 0.00 57.85 55.66 1qvg n ARG 161 Cb 0.08 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1qvg n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qvg n GLY 162 N 0.14 0.80 0.00 -0.13 0.00 0.15 -4.87 105.19 101.28 1qvg n GLY 162 Ca 0.05 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.59 1qvg n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qvg n LEU 163 N -1.24 0.00 0.00 0.99 4.77 -0.52 -3.13 117.00 117.87 1qvg n LEU 163 Ca -0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 1qvg n LEU 163 Cb 0.41 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1qvg n LEU 163 CO 0.15 0.00 0.19 1.07 -1.33 0.00 0.00 177.39 177.47 1qvg n THR 164 N -0.70 0.00 0.00 -5.08 5.66 -1.26 -4.80 114.28 108.10 1qvg n THR 164 Ca 0.09 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1qvg n THR 164 Cb 0.04 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.36 1qvg n THR 164 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1qvg n SER 165 N -3.35 0.00 0.31 1.09 3.41 -1.26 -1.86 113.62 111.95 1qvg n SER 165 Ca 0.04 0.66 0.19 0.00 -0.26 0.00 0.00 58.87 59.51 1qvg n SER 165 Cb 0.15 -0.32 1.00 0.00 -0.26 0.00 0.00 64.21 64.78 1qvg n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qvg h ALA 166 N -2.00 1.14 0.57 7.33 0.00 -1.94 -2.41 119.26 121.95 1qvg h ALA 166 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1qvg h ALA 166 Cb 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qvg h ALA 166 CO 0.00 0.03 -0.28 0.78 0.00 0.00 0.00 179.25 179.78 1qvg h GLY 167 N 0.46 -0.80 1.34 0.00 0.00 -1.77 0.34 103.07 102.63 1qvg h GLY 167 Ca -0.00 0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 1qvg h GLY 167 CO 0.00 -0.29 -0.07 3.21 0.00 0.00 0.00 176.54 179.39 1qvg h ARG 168 N -0.83 0.79 -0.30 4.80 3.08 -0.90 -1.29 114.38 119.73 1qvg h ARG 168 Ca -0.08 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 1qvg h ARG 168 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1qvg h ARG 168 CO 0.13 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 179.88 1qvg h ARG 169 N 0.72 0.53 -0.27 0.04 3.08 -1.34 -2.26 114.38 114.89 1qvg h ARG 169 Ca 0.13 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1qvg h ARG 169 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1qvg h ARG 169 CO 0.03 0.67 0.17 0.00 -1.07 0.00 0.00 179.97 179.77 1qvg n ARG 171 N -4.48 0.96 -1.84 0.00 1.74 -0.50 -4.84 116.66 107.70 1qvg n ARG 171 Ca 0.01 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 1qvg n ARG 171 Cb 0.08 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 1qvg n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qvg n GLY 172 N 0.04 1.13 0.66 -0.13 0.00 -0.09 -4.85 105.19 101.95 1qvg n GLY 172 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1qvg n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qvg n LEU 173 N -2.52 1.90 0.37 0.99 4.77 -0.98 -4.48 117.00 117.05 1qvg n LEU 173 Ca -0.21 -0.95 -0.18 0.00 -0.03 0.00 0.00 56.01 54.64 1qvg n LEU 173 Cb 0.66 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 1qvg n LEU 173 CO 0.29 0.43 0.64 0.03 -1.33 0.00 0.00 177.39 177.45 1qvg h ARG 174 N 1.86 -0.90 -6.97 3.23 3.08 -1.83 -3.44 114.38 109.41 1qvg h ARG 174 Ca 0.00 0.06 -0.48 0.00 0.07 0.00 0.00 59.98 59.63 1qvg h ARG 174 Cb 0.53 0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.80 1qvg h ARG 174 CO 0.03 -0.60 0.41 0.20 -1.07 0.00 0.00 179.97 178.94 1qvg s GLY 175 N -2.07 2.70 -0.01 0.04 0.00 -1.26 -4.95 107.32 101.77 1qvg s GLY 175 Ca -0.18 0.68 0.21 0.00 0.00 0.00 0.00 44.72 45.43 1qvg s GLY 175 CO 0.62 1.09 0.77 -1.06 0.00 0.00 0.00 173.10 174.52 1qvg n GLN 176 N -0.16 0.23 0.00 2.90 6.02 -1.26 -4.76 117.38 120.34 1qvg n GLN 176 Ca 0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1qvg n GLN 176 Cb 0.50 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1qvg n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qvg n GLY 177 N 1.43 1.60 3.56 1.08 0.00 -1.26 -4.95 105.19 106.64 1qvg n GLY 177 Ca 0.02 -0.05 -0.49 0.00 0.00 0.00 0.00 46.02 45.50 1qvg n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qvg n LYS 178 N 0.00 0.98 0.00 1.61 4.81 -1.26 -2.44 118.16 121.86 1qvg n LYS 178 Ca 0.00 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1qvg n LYS 178 Cb 0.00 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1qvg n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qvg n GLY 179 N 1.87 2.99 1.97 3.14 0.00 -1.26 -4.91 105.19 108.98 1qvg n GLY 179 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1qvg n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qvg n SER 180 N 0.00 4.67 -0.29 1.61 3.41 -1.02 -4.52 113.62 117.49 1qvg n SER 180 Ca 0.00 -3.16 -0.05 0.00 -0.26 0.00 0.00 58.87 55.40 1qvg n SER 180 Cb 0.00 -0.74 0.07 0.00 -0.26 0.00 0.00 64.21 63.28 1qvg n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qvg h GLU 181 N 2.48 1.06 -0.17 4.33 3.07 -1.90 -2.52 114.58 120.93 1qvg h GLU 181 Ca 0.27 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1qvg h GLU 181 Cb 2.29 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.98 1qvg h GLU 181 CO 0.72 0.76 0.00 1.63 -1.40 0.00 0.00 179.01 180.72 1qvg n LYS 182 N -4.48 2.15 -0.12 2.33 4.76 -1.26 -4.46 118.16 117.08 1qvg n LYS 182 Ca 0.07 -1.70 -0.22 0.00 -2.87 0.00 0.00 58.31 53.59 1qvg n LYS 182 Cb 0.06 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 1qvg n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1qvg n VAL 183 N 0.98 1.52 -3.47 -0.18 0.31 -0.98 -4.50 118.33 112.01 1qvg n VAL 183 Ca 0.17 -0.16 -0.34 0.00 -0.01 0.00 0.00 64.34 64.00 1qvg n VAL 183 Cb 0.50 -2.04 -0.05 0.00 -0.91 0.00 0.00 33.84 31.34 1qvg n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1qvg s ARG 184 N -2.51 3.82 0.00 5.55 3.52 -1.03 -1.70 118.95 126.60 1qvg s ARG 184 Ca -0.33 0.27 0.21 0.00 -0.13 0.00 0.00 55.73 55.75 1qvg s ARG 184 Cb 0.10 -2.84 0.86 0.00 -1.56 0.00 0.00 34.95 31.50 1qvg s ARG 184 CO 0.48 0.44 1.60 -0.35 -0.81 0.00 0.00 175.30 176.67 1qvg n PRO 185 N 0.43 1.55 -3.65 5.12 -0.04 -1.26 -4.89 135.00 132.27 1qvg n PRO 185 Ca -0.04 -0.83 -0.02 0.00 -0.04 0.00 0.00 63.50 62.57 1qvg n PRO 185 Cb 0.52 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 1qvg n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1qvg s SER 186 N -1.59 -0.03 0.12 3.54 1.04 -0.69 -5.01 113.70 111.08 1qvg s SER 186 Ca 0.32 0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.55 1qvg s SER 186 Cb 0.17 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1qvg s SER 186 CO 0.26 -0.01 1.64 -0.07 0.98 0.00 0.00 173.24 176.03 1qvg h LEU 187 N 3.21 -0.75 -0.77 2.42 3.38 -1.78 -2.16 115.31 118.85 1qvg h LEU 187 Ca -0.27 0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.92 1qvg h LEU 187 Cb 1.20 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 42.17 1qvg h LEU 187 CO 0.19 -0.32 0.38 -0.09 0.09 0.00 0.00 178.44 178.68 1qvg h ARG 188 N -0.39 0.57 0.00 1.13 2.43 -1.92 0.32 114.38 116.53 1qvg h ARG 188 Ca 0.06 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1qvg h ARG 188 Cb 0.48 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1qvg h ARG 188 CO -0.23 0.38 -0.14 -0.24 -1.51 0.00 0.00 179.97 178.23 1qvg h VAL 189 N 0.59 0.64 -0.34 0.20 3.04 -1.84 -1.34 116.25 117.20 1qvg h VAL 189 Ca 0.40 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1qvg h VAL 189 Cb 0.51 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1qvg h VAL 189 CO -0.32 0.14 0.00 0.59 -1.01 0.00 0.00 177.57 176.97 1qvg n ASN 190 N -3.70 3.19 -1.20 3.17 3.02 -0.02 -4.89 115.26 114.83 1qvg n ASN 190 Ca -0.02 -2.37 -0.13 0.00 -0.03 0.00 0.00 54.58 52.04 1qvg n ASN 190 Cb 0.26 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1qvg n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qvg n GLY 191 N 0.57 0.73 3.41 7.41 0.00 -0.51 -3.78 105.19 113.02 1qvg n GLY 191 Ca 0.15 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 1qvg n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg n ALA 192 N 0.04 -2.23 -1.36 4.61 0.00 -0.47 -4.98 120.51 116.11 1qvg n ALA 192 Ca -0.14 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1qvg n ALA 192 Cb 0.51 -3.78 0.20 0.00 0.00 0.00 0.00 19.45 16.37 1qvg n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qvg n LYS 193 N -3.80 1.72 0.00 0.00 5.02 -1.25 -5.07 118.16 114.79 1qvg n LYS 193 Ca -0.19 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.05 1qvg n LYS 193 Cb 0.65 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1qvg n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88