#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg h THR 2 N 0.00 0.00 -2.18 0.00 2.02 -2.01 -3.49 112.91 107.26 1qvg h THR 2 Ca 0.00 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1qvg h THR 2 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1qvg h THR 2 CO 0.00 0.00 -0.02 0.61 0.37 0.00 0.00 175.52 176.48 1qvg n GLY 3 N -0.27 3.98 0.27 2.16 0.00 -1.26 -5.01 105.19 105.06 1qvg n GLY 3 Ca -0.08 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.41 1qvg n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qvg h PRO 4 N 0.00 0.00 0.00 1.61 0.11 -2.07 -2.75 132.00 128.90 1qvg h PRO 4 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1qvg h PRO 4 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1qvg h PRO 4 CO 0.02 0.05 -1.13 -2.13 -0.21 0.00 0.00 178.00 174.60 1qvg n ARG 5 N -3.18 0.59 -1.62 1.05 0.63 -1.26 -4.94 116.66 107.92 1qvg n ARG 5 Ca 0.00 0.07 -0.42 0.00 -0.92 0.00 0.00 57.85 56.59 1qvg n ARG 5 Cb 0.32 -1.77 0.01 0.00 0.45 0.00 0.00 32.46 31.47 1qvg n ARG 5 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1qvg n TYR 6 N -2.56 1.33 -3.82 -0.14 9.36 -1.04 -4.98 117.16 115.31 1qvg n TYR 6 Ca -0.00 0.57 -0.36 0.00 3.32 0.00 0.00 57.90 61.42 1qvg n TYR 6 Cb 0.54 -2.25 -0.13 0.00 -0.63 0.00 0.00 39.34 36.87 1qvg n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1qvg s LYS 7 N -1.97 3.01 -0.11 2.98 2.47 -1.26 -4.82 119.74 120.02 1qvg s LYS 7 Ca 0.62 -0.90 -0.15 0.00 -1.56 0.00 0.00 55.97 53.98 1qvg s LYS 7 Cb -0.57 -3.27 -0.05 0.00 -1.46 0.00 0.00 37.83 32.49 1qvg s LYS 7 CO 0.58 -0.44 0.37 0.08 0.16 0.00 0.00 175.35 176.10 1qvg s VAL 8 N 1.45 5.22 0.81 4.02 1.01 -1.26 -5.02 120.40 126.63 1qvg s VAL 8 Ca 0.02 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 1qvg s VAL 8 Cb -0.17 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1qvg s VAL 8 CO 0.01 0.41 1.15 -2.84 0.00 0.00 0.00 175.10 173.83 1qvg s PRO 9 N 0.17 1.74 0.60 2.72 0.02 -1.26 -4.95 135.00 134.05 1qvg s PRO 9 Ca 0.21 1.51 -0.20 0.00 0.02 0.00 0.00 61.00 62.54 1qvg s PRO 9 Cb -0.14 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1qvg s PRO 9 CO 0.08 -2.09 1.31 -1.64 -0.33 0.00 0.00 177.00 174.34 1qvg s MET 10 N -4.46 2.86 0.18 5.54 -1.94 -1.26 -4.67 119.30 115.55 1qvg s MET 10 Ca 0.68 2.12 -0.23 0.00 -1.71 0.00 0.00 55.69 56.55 1qvg s MET 10 Cb -0.23 -2.04 0.09 0.00 2.01 0.00 0.00 34.83 34.66 1qvg s MET 10 CO 0.53 -1.38 1.58 -0.09 -0.01 0.00 0.00 175.02 175.65 1qvg h ARG 11 N 0.99 -0.19 0.00 2.03 2.43 -2.00 0.18 114.38 117.83 1qvg h ARG 11 Ca -0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1qvg h ARG 11 Cb 1.32 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1qvg h ARG 11 CO 0.55 -0.12 0.00 0.54 -1.51 0.00 0.00 179.97 179.43 1qvg n ARG 12 N -5.42 0.22 -0.11 0.20 1.74 -1.26 -0.72 116.66 111.31 1qvg n ARG 12 Ca 0.03 0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 57.08 1qvg n ARG 12 Cb 0.35 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 1qvg n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1qvg n ARG 13 N -1.13 0.72 0.28 5.56 3.00 0.52 -1.65 116.66 123.96 1qvg n ARG 13 Ca 0.06 0.03 -0.16 0.00 -0.00 0.00 0.00 57.85 57.78 1qvg n ARG 13 Cb 0.05 -1.51 -0.08 0.00 0.00 0.00 0.00 32.46 30.92 1qvg n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qvg h ARG 14 N 0.00 -0.65 0.00 -0.14 3.08 0.43 -0.94 114.38 116.17 1qvg h ARG 14 Ca -0.55 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1qvg h ARG 14 Cb 2.14 0.15 0.00 0.00 0.08 0.00 0.00 29.97 32.33 1qvg h ARG 14 CO -0.00 -0.41 0.00 0.39 -1.07 0.00 0.00 179.97 178.88 1qvg n GLU 15 N -5.36 0.14 -4.03 0.04 1.02 -0.58 -4.82 120.64 107.04 1qvg n GLU 15 Ca -0.12 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.74 1qvg n GLU 15 Cb 0.29 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1qvg n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qvg n ALA 16 N -1.05 -2.23 -0.03 0.62 0.00 -0.36 -4.87 120.51 112.60 1qvg n ALA 16 Ca 0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.06 1qvg n ALA 16 Cb 0.02 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 1qvg n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qvg n ARG 17 N -4.55 0.37 -4.80 0.00 1.74 -0.69 -5.02 116.66 103.70 1qvg n ARG 17 Ca -0.24 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.54 1qvg n ARG 17 Cb 0.65 -1.12 -0.14 0.00 -1.02 0.00 0.00 32.46 30.83 1qvg n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1qvg s THR 18 N -2.12 3.13 -0.57 0.55 2.01 -0.66 -4.67 115.64 113.31 1qvg s THR 18 Ca -0.08 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 1qvg s THR 18 Cb 0.02 -2.28 0.14 0.00 0.01 0.00 0.00 72.50 70.39 1qvg s THR 18 CO 0.15 0.56 0.52 -0.62 -0.69 0.00 0.00 174.62 174.53 1qvg s ASP 19 N -0.17 6.22 0.45 3.53 -1.08 -1.26 -4.55 116.67 119.81 1qvg s ASP 19 Ca 0.00 -1.90 0.16 0.00 -0.52 0.00 0.00 52.55 50.29 1qvg s ASP 19 Cb -0.13 -2.20 1.04 0.00 -1.46 0.00 0.00 42.92 40.17 1qvg s ASP 19 CO 0.03 -0.81 1.99 1.88 0.52 0.00 0.00 175.17 178.77 1qvg h TYR 20 N 8.73 0.00 -0.58 -5.34 -1.99 -1.97 -0.88 116.97 114.94 1qvg h TYR 20 Ca -0.25 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.40 1qvg h TYR 20 Cb 1.09 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.80 1qvg h TYR 20 CO 0.76 0.19 0.03 0.45 -0.00 0.00 0.00 178.16 179.59 1qvg h HIS 21 N 0.00 1.09 -0.10 4.88 3.86 -2.00 -1.84 115.15 121.04 1qvg h HIS 21 Ca -0.00 -0.18 -0.18 0.00 -1.16 0.00 0.00 60.37 58.85 1qvg h HIS 21 Cb 0.36 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1qvg h HIS 21 CO 0.00 0.97 -0.70 0.37 0.86 0.00 0.00 177.93 179.43 1qvg h GLN 22 N 0.90 0.43 -0.19 2.45 4.15 -1.92 -2.95 115.11 117.98 1qvg h GLN 22 Ca 0.17 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1qvg h GLN 22 Cb 0.51 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1qvg h GLN 22 CO 0.02 0.97 0.07 -0.09 -1.93 0.00 0.00 178.83 177.88 1qvg h ARG 23 N 0.30 0.25 -0.13 1.69 2.43 -0.78 0.14 114.38 118.29 1qvg h ARG 23 Ca -0.02 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.90 1qvg h ARG 23 Cb 1.27 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1qvg h ARG 23 CO 0.12 0.21 -0.80 1.25 -1.51 0.00 0.00 179.97 179.25 1qvg h LEU 24 N 0.26 0.86 -0.33 3.80 5.85 -1.23 0.05 115.31 124.57 1qvg h LEU 24 Ca 0.07 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 1qvg h LEU 24 Cb 0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1qvg h LEU 24 CO -0.01 1.37 0.05 0.03 -0.34 0.00 0.00 178.44 179.54 1qvg h ARG 25 N 0.48 0.55 0.14 1.25 3.08 -1.16 -2.73 114.38 115.99 1qvg h ARG 25 Ca -0.06 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1qvg h ARG 25 Cb 1.42 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.37 1qvg h ARG 25 CO 0.16 0.64 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.30 1qvg h LEU 26 N 0.38 -0.95 -2.15 3.04 -0.00 -0.60 -1.57 115.31 113.47 1qvg h LEU 26 Ca 0.10 0.11 0.03 0.00 -0.00 0.00 0.00 57.88 58.12 1qvg h LEU 26 Cb 0.36 0.36 -0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1qvg h LEU 26 CO 0.01 -0.42 0.30 -0.07 -0.00 0.00 0.00 178.44 178.25 1qvg h LEU 27 N -0.56 0.00 -0.82 1.67 3.38 -0.86 -2.88 115.31 115.24 1qvg h LEU 27 Ca 0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.14 1qvg h LEU 27 Cb 0.59 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1qvg h LEU 27 CO -0.18 0.00 0.41 0.11 0.09 0.00 0.00 178.44 178.86 1qvg h LYS 28 N 0.00 0.57 -0.21 1.13 1.79 -0.97 -1.50 116.57 117.39 1qvg h LYS 28 Ca 0.05 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1qvg h LYS 28 Cb 0.64 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1qvg h LYS 28 CO -0.00 0.38 0.27 0.66 -1.08 0.00 0.00 179.45 179.68 1qvg h SER 29 N 0.59 0.00 0.00 0.86 4.64 -1.65 -3.45 113.55 114.54 1qvg h SER 29 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1qvg h SER 29 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1qvg h SER 29 CO -0.36 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.21 1qvg n GLY 30 N -1.39 0.38 3.89 -0.77 0.00 -0.56 -5.00 105.19 101.74 1qvg n GLY 30 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1qvg n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qvg s LYS 31 N -0.60 2.81 0.66 1.61 1.02 -1.26 -5.10 119.74 118.89 1qvg s LYS 31 Ca 0.00 -1.23 -0.15 0.00 0.02 0.00 0.00 55.97 54.60 1qvg s LYS 31 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1qvg s LYS 31 CO 0.00 0.08 1.13 -2.14 -0.92 0.00 0.00 175.35 173.50 1qvg s PRO 32 N -4.04 2.72 -0.13 -1.68 0.02 -1.26 -4.79 135.00 125.85 1qvg s PRO 32 Ca 0.42 1.48 -0.06 0.00 0.02 0.00 0.00 61.00 62.86 1qvg s PRO 32 Cb -0.07 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1qvg s PRO 32 CO 0.28 -1.33 0.10 1.03 -0.33 0.00 0.00 177.00 176.75 1qvg s ARG 33 N -3.99 3.46 -0.79 5.54 0.52 0.83 -1.25 118.95 123.26 1qvg s ARG 33 Ca 0.69 -0.22 -0.14 0.00 -0.52 0.00 0.00 55.73 55.53 1qvg s ARG 33 Cb -0.22 -3.12 0.21 0.00 0.52 0.00 0.00 34.95 32.33 1qvg s ARG 33 CO 0.41 0.67 0.74 -1.17 0.02 0.00 0.00 175.30 175.97 1qvg s LEU 34 N -0.74 6.67 -0.30 2.53 2.96 0.80 -0.56 118.68 130.04 1qvg s LEU 34 Ca 0.13 -2.57 -0.29 0.00 -0.22 0.00 0.00 54.13 51.18 1qvg s LEU 34 Cb -0.12 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 1qvg s LEU 34 CO 0.03 -0.62 1.57 -0.69 -1.32 0.00 0.00 176.35 175.32 1qvg s VAL 35 N 0.38 3.75 -0.40 1.68 1.01 0.22 -1.81 120.40 125.22 1qvg s VAL 35 Ca 0.16 0.81 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 1qvg s VAL 35 Cb -0.13 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.46 1qvg s VAL 35 CO -0.07 -0.45 0.23 0.00 0.00 0.00 0.00 175.10 174.81 1qvg s ALA 36 N 5.54 3.25 0.14 5.51 0.00 0.05 -0.75 121.76 135.50 1qvg s ALA 36 Ca 0.69 -2.07 0.11 0.00 0.00 0.00 0.00 51.96 50.69 1qvg s ALA 36 Cb -0.21 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1qvg s ALA 36 CO 0.30 -1.59 -0.26 1.03 0.00 0.00 0.00 175.76 175.24 1qvg s ARG 37 N 1.42 1.43 0.40 0.00 1.81 -0.13 -4.53 118.95 119.35 1qvg s ARG 37 Ca 0.02 -1.39 0.06 0.00 -1.72 0.00 0.00 55.73 52.70 1qvg s ARG 37 Cb -0.22 -1.89 -0.07 0.00 -0.45 0.00 0.00 34.95 32.32 1qvg s ARG 37 CO 0.02 0.44 0.02 0.15 -0.68 0.00 0.00 175.30 175.26 1qvg s LYS 38 N -2.19 1.92 0.10 3.54 1.02 -1.26 0.10 119.74 122.97 1qvg s LYS 38 Ca 0.15 -2.11 -0.15 0.00 0.02 0.00 0.00 55.97 53.88 1qvg s LYS 38 Cb -0.10 -1.43 0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1qvg s LYS 38 CO 0.07 -0.13 0.37 0.45 -0.92 0.00 0.00 175.35 175.19 1qvg s SER 39 N -3.68 -0.19 0.23 2.83 0.15 0.04 -4.90 113.70 108.18 1qvg s SER 39 Ca 0.31 -0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.60 1qvg s SER 39 Cb 0.08 0.44 0.36 0.00 -1.71 0.00 0.00 66.02 65.20 1qvg s SER 39 CO 0.16 -0.79 1.76 0.78 1.20 0.00 0.00 173.24 176.35 1qvg h ASN 40 N 2.58 0.39 0.00 5.45 2.35 -2.00 -3.05 115.58 121.30 1qvg h ASN 40 Ca -0.33 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1qvg h ASN 40 Cb 1.24 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1qvg h ASN 40 CO 0.47 0.21 -1.67 0.29 -1.65 0.00 0.00 177.43 175.08 1qvg n LYS 41 N -4.91 0.48 -3.76 0.81 5.02 -1.26 -4.62 118.16 109.92 1qvg n LYS 41 Ca 0.12 -0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.10 1qvg n LYS 41 Cb 0.31 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 1qvg n LYS 41 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1qvg n HIS 42 N -2.01 -0.21 -3.69 2.13 8.25 -1.15 -2.84 115.22 115.69 1qvg n HIS 42 Ca -0.01 -2.04 -0.11 0.00 -0.26 0.00 0.00 57.72 55.30 1qvg n HIS 42 Cb 0.49 0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.58 1qvg n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1qvg s VAL 43 N -2.85 -0.13 0.06 1.59 1.01 -1.26 -0.78 120.40 118.04 1qvg s VAL 43 Ca 0.22 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1qvg s VAL 43 Cb 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1qvg s VAL 43 CO 0.16 0.05 -0.15 -0.60 0.00 0.00 0.00 175.10 174.56 1qvg s ARG 44 N 1.60 2.10 -0.16 2.72 3.52 0.11 -1.00 118.95 127.85 1qvg s ARG 44 Ca -0.08 -0.99 -0.05 0.00 -0.13 0.00 0.00 55.73 54.49 1qvg s ARG 44 Cb -0.09 -2.24 0.06 0.00 -1.56 0.00 0.00 34.95 31.11 1qvg s ARG 44 CO -0.12 0.53 0.09 0.00 -0.81 0.00 0.00 175.30 175.00 1qvg s ALA 45 N -1.03 0.36 0.20 6.12 0.00 -0.22 -0.96 121.76 126.23 1qvg s ALA 45 Ca 0.17 -0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.01 1qvg s ALA 45 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1qvg s ALA 45 CO 0.08 -1.10 -0.12 -0.65 0.00 0.00 0.00 175.76 173.96 1qvg s GLN 46 N 2.15 1.95 -0.36 0.00 -0.21 0.07 -1.16 119.66 122.10 1qvg s GLN 46 Ca 0.03 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.07 1qvg s GLN 46 Cb -0.16 -2.07 0.10 0.00 1.00 0.00 0.00 33.01 31.89 1qvg s GLN 46 CO -0.09 0.41 0.08 -0.51 -2.12 0.00 0.00 175.29 173.07 1qvg s LEU 47 N -2.92 4.84 -0.03 2.90 1.43 0.43 0.73 118.68 126.08 1qvg s LEU 47 Ca 0.25 -2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 51.16 1qvg s LEU 47 Cb -0.08 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1qvg s LEU 47 CO 0.14 -0.40 0.13 -0.69 0.23 0.00 0.00 176.35 175.77 1qvg s VAL 48 N 0.91 5.16 0.45 -1.59 1.01 0.28 -1.48 120.40 125.13 1qvg s VAL 48 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1qvg s VAL 48 Cb -0.20 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1qvg s VAL 48 CO -0.07 0.39 0.03 0.28 0.00 0.00 0.00 175.10 175.72 1qvg s THR 49 N -1.22 1.34 0.26 3.92 -1.32 0.49 -0.12 115.64 118.99 1qvg s THR 49 Ca 0.23 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.62 1qvg s THR 49 Cb -0.12 -2.51 -0.07 0.00 -1.51 0.00 0.00 72.50 68.29 1qvg s THR 49 CO 0.14 0.00 0.58 -0.22 -2.21 0.00 0.00 174.62 172.92 1qvg s LEU 50 N -3.75 4.13 0.03 9.08 2.96 -1.26 -2.02 118.68 127.84 1qvg s LEU 50 Ca 0.20 0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 54.93 1qvg s LEU 50 Cb 0.05 -3.73 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1qvg s LEU 50 CO 0.10 -0.12 0.30 -0.83 -1.32 0.00 0.00 176.35 174.48 1qvg s GLY 51 N -2.48 -0.12 0.43 7.98 0.00 -1.10 -4.68 107.32 107.36 1qvg s GLY 51 Ca 0.48 0.06 0.23 0.00 0.00 0.00 0.00 44.72 45.49 1qvg s GLY 51 CO 0.22 -0.15 1.77 -2.55 0.00 0.00 0.00 173.10 172.40 1qvg h PRO 52 N 3.40 0.27 0.00 2.90 0.11 -1.98 -1.73 132.00 134.97 1qvg h PRO 52 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1qvg h PRO 52 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qvg h PRO 52 CO 0.45 0.18 -0.00 0.09 -0.21 0.00 0.00 178.00 178.50 1qvg n ASN 53 N -4.53 1.96 0.00 -2.05 3.02 -1.26 -5.09 115.26 107.32 1qvg n ASN 53 Ca 0.26 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 1qvg n ASN 53 Cb 0.98 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 1qvg n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qvg n GLY 54 N -0.62 2.05 3.70 7.41 0.00 -0.65 -5.13 105.19 111.94 1qvg n GLY 54 Ca 0.03 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1qvg n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qvg n ASP 55 N 0.00 1.37 -4.23 1.61 8.00 -1.26 -2.73 116.55 119.31 1qvg n ASP 55 Ca 0.00 0.68 -0.31 0.00 0.71 0.00 0.00 54.79 55.87 1qvg n ASP 55 Cb 0.00 -1.52 -0.17 0.00 -0.02 0.00 0.00 41.12 39.41 1qvg n ASP 55 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qvg s ASP 56 N -1.81 3.02 -0.30 -2.24 1.01 -0.86 -4.84 116.67 110.65 1qvg s ASP 56 Ca 0.77 -0.53 -0.09 0.00 0.71 0.00 0.00 52.55 53.41 1qvg s ASP 56 Cb -0.33 -1.14 -0.01 0.00 1.01 0.00 0.00 42.92 42.45 1qvg s ASP 56 CO 0.47 0.19 0.14 -0.89 0.21 0.00 0.00 175.17 175.29 1qvg s THR 57 N 0.14 4.55 -0.06 -1.27 2.01 -1.26 -0.38 115.64 119.37 1qvg s THR 57 Ca -0.12 -0.39 0.13 0.00 0.31 0.00 0.00 61.69 61.62 1qvg s THR 57 Cb -0.16 -3.30 -0.23 0.00 0.01 0.00 0.00 72.50 68.82 1qvg s THR 57 CO 0.07 0.10 0.61 0.18 -0.69 0.00 0.00 174.62 174.89 1qvg n LEU 58 N 4.97 0.78 -3.72 4.42 4.32 -0.55 -4.93 117.00 122.30 1qvg n LEU 58 Ca -0.14 0.37 -0.11 0.00 -0.02 0.00 0.00 56.01 56.11 1qvg n LEU 58 Cb 0.49 0.20 -0.12 0.00 -1.62 0.00 0.00 43.42 42.38 1qvg n LEU 58 CO 0.33 0.39 -0.02 0.00 -1.22 0.00 0.00 177.39 176.88 1qvg s ALA 59 N -2.60 -0.84 0.20 -1.18 0.00 -1.23 -4.93 121.76 111.19 1qvg s ALA 59 Ca -0.05 1.26 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 1qvg s ALA 59 Cb 0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1qvg s ALA 59 CO 0.83 -0.23 0.11 -1.54 0.00 0.00 0.00 175.76 174.93 1qvg s SER 60 N 1.19 0.43 -0.26 0.00 1.04 -1.26 -0.42 113.70 114.41 1qvg s SER 60 Ca -0.08 -1.36 -0.19 0.00 0.48 0.00 0.00 55.95 54.80 1qvg s SER 60 Cb -0.08 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.42 1qvg s SER 60 CO -0.09 -0.79 0.67 0.00 0.98 0.00 0.00 173.24 174.00 1qvg s ALA 61 N -4.04 -1.74 -0.02 5.32 0.00 -0.31 -4.51 121.76 116.45 1qvg s ALA 61 Ca 0.36 2.14 0.08 0.00 0.00 0.00 0.00 51.96 54.54 1qvg s ALA 61 Cb 0.07 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1qvg s ALA 61 CO 0.11 -0.35 -0.25 -1.58 0.00 0.00 0.00 175.76 173.69 1qvg s HIS 62 N 1.01 2.26 -0.36 0.00 2.46 -1.26 -1.06 115.29 118.34 1qvg s HIS 62 Ca -0.05 -0.44 0.13 0.00 0.47 0.00 0.00 55.06 55.17 1qvg s HIS 62 Cb -0.05 -1.46 0.72 0.00 -0.13 0.00 0.00 32.58 31.66 1qvg s HIS 62 CO -0.09 -0.05 1.37 -1.13 -2.47 0.00 0.00 174.74 172.36 1qvg n SER 63 N 2.49 0.34 0.06 9.88 3.41 -0.17 -2.03 113.62 127.61 1qvg n SER 63 Ca -0.16 0.62 -0.22 0.00 -0.26 0.00 0.00 58.87 58.85 1qvg n SER 63 Cb 0.51 -0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 63.67 1qvg n SER 63 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1qvg h SER 64 N 0.00 0.55 0.00 4.04 4.64 -1.93 -3.22 113.55 117.63 1qvg h SER 64 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 1qvg h SER 64 Cb 0.16 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1qvg h SER 64 CO 0.00 1.56 0.00 -0.90 -0.87 0.00 0.00 176.83 176.62 1qvg n ASP 65 N -3.93 0.83 0.09 4.97 5.75 -0.86 -2.94 116.55 120.46 1qvg n ASP 65 Ca -0.18 -1.76 -0.23 0.00 -0.01 0.00 0.00 54.79 52.61 1qvg n ASP 65 Cb 0.93 -0.42 -0.15 0.00 -1.03 0.00 0.00 41.12 40.45 1qvg n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1qvg h LEU 66 N 0.11 0.64 -1.42 -2.12 5.85 -1.60 -3.25 115.31 113.52 1qvg h LEU 66 Ca 0.00 -0.93 0.14 0.00 0.84 0.00 0.00 57.88 57.93 1qvg h LEU 66 Cb 0.42 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1qvg h LEU 66 CO 0.00 1.60 0.53 0.00 -0.34 0.00 0.00 178.44 180.24 1qvg h ALA 67 N 0.10 1.94 0.00 1.25 0.00 -1.72 0.13 119.26 120.96 1qvg h ALA 67 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qvg h ALA 67 Cb 1.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1qvg h ALA 67 CO 0.20 -0.16 0.27 -1.91 0.00 0.00 0.00 179.25 177.65 1qvg n GLU 68 N -4.52 0.01 -0.01 0.00 2.13 -1.23 0.15 120.64 117.17 1qvg n GLU 68 Ca 0.15 0.27 0.01 0.00 0.66 0.00 0.00 57.16 58.25 1qvg n GLU 68 Cb 0.47 -1.80 0.01 0.00 0.27 0.00 0.00 31.44 30.40 1qvg n GLU 68 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1qvg n TYR 69 N -1.31 0.03 0.00 4.31 4.02 0.45 -4.98 117.16 119.67 1qvg n TYR 69 Ca -0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1qvg n TYR 69 Cb 0.27 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1qvg n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qvg n GLY 70 N -0.18 1.37 3.68 2.72 0.00 0.39 -5.00 105.19 108.17 1qvg n GLY 70 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1qvg n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qvg s TRP 71 N -2.00 3.08 -0.12 1.61 -0.00 -1.18 -4.88 118.94 115.44 1qvg s TRP 71 Ca 0.00 1.12 0.14 0.00 -0.00 0.00 0.00 56.10 57.37 1qvg s TRP 71 Cb 0.00 -3.47 0.30 0.00 -0.00 0.00 0.00 33.47 30.31 1qvg s TRP 71 CO 0.00 -1.53 1.15 -1.91 -0.00 0.00 0.00 176.95 174.66 1qvg n GLU 72 N 5.50 1.06 -4.62 5.86 2.13 -1.26 -4.33 120.64 124.97 1qvg n GLU 72 Ca 0.12 -2.52 -0.28 0.00 0.66 0.00 0.00 57.16 55.14 1qvg n GLU 72 Cb 0.46 -1.23 -0.10 0.00 0.27 0.00 0.00 31.44 30.83 1qvg n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qvg s ALA 73 N -2.27 3.24 1.13 4.31 0.00 -1.26 -4.42 121.76 122.49 1qvg s ALA 73 Ca 0.29 -1.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 1qvg s ALA 73 Cb 0.28 0.21 0.15 0.00 0.00 0.00 0.00 23.12 23.76 1qvg s ALA 73 CO -0.03 -0.13 0.31 -2.30 0.00 0.00 0.00 175.76 173.61 1qvg n PRO 74 N -0.99 -1.78 0.00 0.00 -0.02 -1.26 -4.98 135.00 125.97 1qvg n PRO 74 Ca -0.07 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1qvg n PRO 74 Cb 0.67 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1qvg n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qvg n THR 75 N -4.55 0.31 -1.63 3.45 -2.24 -1.26 -4.76 114.28 103.61 1qvg n THR 75 Ca 0.02 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 60.95 1qvg n THR 75 Cb 0.60 0.99 0.06 0.00 -2.10 0.00 0.00 70.33 69.87 1qvg n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qvg n GLY 76 N -0.16 6.03 3.45 3.38 0.00 -1.13 -4.13 105.19 112.63 1qvg n GLY 76 Ca 0.00 -2.45 -0.22 0.00 0.00 0.00 0.00 46.02 43.35 1qvg n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qvg s ASN 77 N -2.40 2.32 0.14 1.61 2.20 -1.26 -4.97 114.94 112.58 1qvg s ASN 77 Ca 0.59 -1.47 -0.27 0.00 -0.94 0.00 0.00 52.86 50.77 1qvg s ASN 77 Cb 0.47 0.14 -0.02 0.00 -2.00 0.00 0.00 41.25 39.85 1qvg s ASN 77 CO -0.03 -0.73 1.59 0.24 -2.94 0.00 0.00 177.10 175.23 1qvg h MET 78 N 2.05 -0.38 -0.98 3.55 2.86 -1.88 -0.04 114.93 120.11 1qvg h MET 78 Ca -0.39 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1qvg h MET 78 Cb 1.25 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.95 1qvg h MET 78 CO 0.64 -0.25 0.65 -1.35 1.06 0.00 0.00 176.91 177.66 1qvg h PRO 79 N -0.39 1.23 -0.29 -0.22 0.11 -1.69 -0.92 132.00 129.83 1qvg h PRO 79 Ca 0.11 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1qvg h PRO 79 Cb 0.59 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1qvg h PRO 79 CO -0.47 0.82 0.16 1.03 -0.21 0.00 0.00 178.00 179.33 1qvg h SER 80 N 1.27 0.36 0.14 -2.05 0.87 -1.73 -2.00 113.55 110.41 1qvg h SER 80 Ca 0.38 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1qvg h SER 80 Cb -0.05 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1qvg h SER 80 CO -0.11 0.34 -0.20 0.00 -0.53 0.00 0.00 176.83 176.33 1qvg h ALA 81 N 1.04 -0.84 -0.95 6.23 0.00 0.04 0.13 119.26 124.91 1qvg h ALA 81 Ca 0.10 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1qvg h ALA 81 Cb 0.05 0.50 -0.13 0.00 0.00 0.00 0.00 17.79 18.21 1qvg h ALA 81 CO -0.02 -0.87 -0.51 -0.92 0.00 0.00 0.00 179.25 176.94 1qvg h TYR 82 N -0.35 -1.56 -0.49 0.00 3.20 -1.18 0.43 116.97 117.02 1qvg h TYR 82 Ca -0.02 0.12 0.08 0.00 3.14 0.00 0.00 58.73 62.05 1qvg h TYR 82 Cb 0.32 0.81 -0.07 0.00 1.54 0.00 0.00 36.73 39.34 1qvg h TYR 82 CO -0.21 -0.39 0.11 -0.07 -1.64 0.00 0.00 178.16 175.96 1qvg h LEU 83 N -0.03 0.03 -1.57 2.82 3.38 -1.22 0.22 115.31 118.95 1qvg h LEU 83 Ca 0.23 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1qvg h LEU 83 Cb 0.49 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1qvg h LEU 83 CO -0.93 0.05 0.24 0.74 0.09 0.00 0.00 178.44 178.62 1qvg h THR 84 N 0.25 1.11 0.13 0.22 2.02 0.10 0.55 112.91 117.30 1qvg h THR 84 Ca 0.24 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1qvg h THR 84 Cb 0.31 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1qvg h THR 84 CO -0.30 0.12 -0.06 1.23 0.37 0.00 0.00 175.52 176.87 1qvg h GLY 85 N 0.57 -0.19 0.62 2.16 0.00 0.71 -1.32 103.07 105.63 1qvg h GLY 85 Ca 0.14 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.61 1qvg h GLY 85 CO -0.03 -0.07 0.40 -2.00 0.00 0.00 0.00 176.54 174.84 1qvg h LEU 86 N -0.53 0.58 0.44 3.11 5.85 0.20 0.84 115.31 125.79 1qvg h LEU 86 Ca -0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1qvg h LEU 86 Cb 0.42 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1qvg h LEU 86 CO 0.03 0.36 -0.27 0.25 -0.34 0.00 0.00 178.44 178.47 1qvg h LEU 87 N 0.71 -0.67 -0.55 2.25 5.85 0.15 0.08 115.31 123.13 1qvg h LEU 87 Ca 0.33 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.11 1qvg h LEU 87 Cb 0.25 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1qvg h LEU 87 CO -0.21 -0.43 0.34 0.00 -0.34 0.00 0.00 178.44 177.81 1qvg h ALA 88 N -0.15 0.70 -0.49 1.25 0.00 -0.82 -1.67 119.26 118.07 1qvg h ALA 88 Ca -0.05 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1qvg h ALA 88 Cb 0.55 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1qvg h ALA 88 CO 0.05 0.08 -0.24 0.78 0.00 0.00 0.00 179.25 179.92 1qvg h GLY 89 N 0.69 0.07 0.95 0.00 0.00 0.12 0.32 103.07 105.21 1qvg h GLY 89 Ca 0.21 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 1qvg h GLY 89 CO -0.08 -0.21 0.11 1.41 0.00 0.00 0.00 176.54 177.76 1qvg h LEU 90 N -0.13 0.24 -1.53 3.11 3.38 -0.34 0.23 115.31 120.27 1qvg h LEU 90 Ca 0.23 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1qvg h LEU 90 Cb 0.49 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1qvg h LEU 90 CO -0.57 0.25 0.37 0.03 0.09 0.00 0.00 178.44 178.60 1qvg h ARG 91 N 0.21 0.58 0.68 1.13 3.08 -0.85 -0.14 114.38 119.07 1qvg h ARG 91 Ca 0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1qvg h ARG 91 Cb 0.07 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1qvg h ARG 91 CO -0.01 0.38 -0.36 0.00 -1.07 0.00 0.00 179.97 178.92 1qvg h ALA 92 N 1.69 -0.96 -0.64 0.04 0.00 0.56 -1.11 119.26 118.84 1qvg h ALA 92 Ca 0.23 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1qvg h ALA 92 Cb 0.15 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 1qvg h ALA 92 CO -0.06 -1.05 -0.03 1.96 0.00 0.00 0.00 179.25 180.07 1qvg h GLN 93 N -0.96 0.09 -0.90 0.00 1.08 0.69 0.19 115.11 115.30 1qvg h GLN 93 Ca -0.09 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.19 1qvg h GLN 93 Cb 0.75 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.09 1qvg h GLN 93 CO 0.13 0.06 0.55 0.93 -0.95 0.00 0.00 178.83 179.56 1qvg h GLU 94 N 0.09 0.93 0.00 1.46 4.39 -0.87 -0.71 114.58 119.87 1qvg h GLU 94 Ca 0.33 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1qvg h GLU 94 Cb 0.54 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1qvg h GLU 94 CO -0.57 0.61 0.00 0.00 -1.16 0.00 0.00 179.01 177.89 1qvg n ALA 95 N -2.36 1.32 -0.28 3.43 0.00 0.65 -4.83 120.51 118.44 1qvg n ALA 95 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1qvg n ALA 95 Cb 0.25 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1qvg n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 96 N -0.74 0.83 3.63 0.00 0.00 -0.27 -5.07 105.19 103.57 1qvg n GLY 96 Ca 0.01 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1qvg n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qvg s VAL 97 N -2.00 5.17 -0.14 1.61 1.01 -1.07 -4.99 120.40 119.99 1qvg s VAL 97 Ca 0.00 0.64 0.12 0.00 0.00 0.00 0.00 61.98 62.74 1qvg s VAL 97 Cb 0.00 -3.72 -0.17 0.00 0.00 0.00 0.00 36.38 32.49 1qvg s VAL 97 CO 0.00 0.18 0.03 -0.62 0.00 0.00 0.00 175.10 174.69 1qvg n GLU 98 N 5.06 1.58 -4.10 2.72 1.02 -1.26 -3.93 120.64 121.72 1qvg n GLU 98 Ca -0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 1qvg n GLU 98 Cb 0.51 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 1qvg n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1qvg s GLU 99 N -2.34 0.65 -0.00 3.49 -1.05 -1.26 -0.79 118.70 117.39 1qvg s GLU 99 Ca -0.09 -1.16 -0.29 0.00 -0.15 0.00 0.00 54.97 53.29 1qvg s GLU 99 Cb 0.04 0.02 0.10 0.00 -0.44 0.00 0.00 34.13 33.86 1qvg s GLU 99 CO 0.56 -0.06 0.94 0.00 0.95 0.00 0.00 175.26 177.65 1qvg s ALA 100 N -3.36 -1.84 0.12 -0.84 0.00 -0.66 -4.01 121.76 111.16 1qvg s ALA 100 Ca 0.05 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1qvg s ALA 100 Cb 0.04 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1qvg s ALA 100 CO -0.07 -0.73 -0.03 0.08 0.00 0.00 0.00 175.76 175.01 1qvg s VAL 101 N -3.05 3.74 -0.38 0.00 1.01 -0.38 -4.05 120.40 117.29 1qvg s VAL 101 Ca 0.07 -1.19 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1qvg s VAL 101 Cb -0.01 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1qvg s VAL 101 CO -0.07 0.06 1.03 -0.22 0.00 0.00 0.00 175.10 175.89 1qvg s LEU 102 N -2.45 3.89 -0.39 3.92 2.96 -1.26 -0.14 118.68 125.21 1qvg s LEU 102 Ca 0.25 0.71 -0.14 0.00 -0.22 0.00 0.00 54.13 54.73 1qvg s LEU 102 Cb -0.11 -3.43 0.01 0.00 0.50 0.00 0.00 46.19 43.17 1qvg s LEU 102 CO 0.17 -0.96 0.27 -0.62 -1.32 0.00 0.00 176.35 173.89 1qvg s ASP 103 N 1.94 6.02 -0.22 3.68 -1.08 -0.75 -4.91 116.67 121.35 1qvg s ASP 103 Ca 0.43 -0.80 0.15 0.00 -0.52 0.00 0.00 52.55 51.81 1qvg s ASP 103 Cb -0.11 -2.13 0.62 0.00 -1.46 0.00 0.00 42.92 39.84 1qvg s ASP 103 CO 0.21 -0.38 1.55 2.30 0.52 0.00 0.00 175.17 179.36 1qvg n ILE 104 N 5.12 2.50 -0.57 4.11 -5.35 -1.26 -0.77 119.36 123.14 1qvg n ILE 104 Ca -0.12 -1.83 0.00 0.00 -0.27 0.00 0.00 62.75 60.54 1qvg n ILE 104 Cb 0.47 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 1qvg n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qvg n GLY 105 N -0.28 1.42 0.06 3.28 0.00 -1.26 -1.29 105.19 107.11 1qvg n GLY 105 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1qvg n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qvg n LEU 106 N 0.00 0.11 -4.82 0.99 4.77 -1.26 -4.88 117.00 111.91 1qvg n LEU 106 Ca 0.00 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 1qvg n LEU 106 Cb 0.00 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1qvg n LEU 106 CO 0.00 0.03 0.73 0.20 -1.33 0.00 0.00 177.39 177.01 1qvg s ASN 107 N -0.93 4.27 -0.18 -1.43 0.02 -0.41 -5.05 114.94 111.23 1qvg s ASN 107 Ca 0.00 1.11 -0.10 0.00 -1.02 0.00 0.00 52.86 52.85 1qvg s ASN 107 Cb 0.00 -1.77 -0.05 0.00 0.02 0.00 0.00 41.25 39.45 1qvg s ASN 107 CO 0.00 -2.09 0.15 -0.44 0.02 0.00 0.00 177.10 174.74 1qvg s SER 108 N -4.07 6.27 0.00 -1.22 0.01 -1.26 -4.98 113.70 108.44 1qvg s SER 108 Ca 0.62 0.31 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1qvg s SER 108 Cb -0.14 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1qvg s SER 108 CO 0.53 0.22 0.10 -2.65 0.41 0.00 0.00 173.24 171.85 1qvg n PRO 109 N 3.19 0.13 -1.62 12.44 -0.02 -1.26 -4.88 135.00 142.99 1qvg n PRO 109 Ca -0.17 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.87 1qvg n PRO 109 Cb 0.53 -1.26 -0.02 0.00 -0.02 0.00 0.00 33.50 32.73 1qvg n PRO 109 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1qvg n THR 110 N 0.69 1.77 -2.00 3.45 -1.04 -1.26 -4.90 114.28 110.99 1qvg n THR 110 Ca 0.00 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 61.16 1qvg n THR 110 Cb 0.05 -1.16 -0.01 0.00 -1.82 0.00 0.00 70.33 67.39 1qvg n THR 110 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1qvg s PRO 111 N -1.38 4.22 -0.50 -2.82 0.02 -1.26 -2.60 135.00 130.68 1qvg s PRO 111 Ca 0.60 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.95 1qvg s PRO 111 Cb -0.68 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 30.84 1qvg s PRO 111 CO 0.59 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 177.32 1qvg n GLY 112 N 0.67 0.65 3.78 0.52 0.00 0.19 -4.89 105.19 106.11 1qvg n GLY 112 Ca 0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1qvg n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qvg s SER 113 N -2.35 4.48 0.25 1.61 0.01 -1.07 -4.58 113.70 112.05 1qvg s SER 113 Ca 0.00 1.49 -0.04 0.00 1.31 0.00 0.00 55.95 58.71 1qvg s SER 113 Cb 0.00 -2.24 0.36 0.00 0.21 0.00 0.00 66.02 64.35 1qvg s SER 113 CO 0.00 -2.00 1.86 0.11 0.41 0.00 0.00 173.24 173.62 1qvg h LYS 114 N -1.11 1.02 0.05 12.44 1.57 -1.94 -1.00 116.57 127.61 1qvg h LYS 114 Ca -0.46 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1qvg h LYS 114 Cb 1.25 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1qvg h LYS 114 CO 0.57 0.68 -0.31 -0.39 -0.57 0.00 0.00 179.45 179.42 1qvg h VAL 115 N 1.05 0.33 -0.87 0.50 -1.51 -1.93 0.54 116.25 114.36 1qvg h VAL 115 Ca 0.40 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 66.02 1qvg h VAL 115 Cb 0.16 0.33 -0.07 0.00 -2.13 0.00 0.00 31.29 29.59 1qvg h VAL 115 CO -0.17 0.00 0.57 -0.26 -1.23 0.00 0.00 177.57 176.48 1qvg h PHE 116 N -0.49 0.75 -0.28 5.19 0.05 -1.77 1.12 116.94 121.51 1qvg h PHE 116 Ca 0.05 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.85 1qvg h PHE 116 Cb 0.55 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 1qvg h PHE 116 CO -0.31 0.27 0.14 0.00 -0.18 0.00 0.00 178.31 178.22 1qvg h ALA 117 N 1.61 0.36 -0.97 2.45 0.00 0.29 0.18 119.26 123.16 1qvg h ALA 117 Ca 0.44 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.37 1qvg h ALA 117 Cb 0.79 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1qvg h ALA 117 CO -0.19 -0.09 0.61 0.82 0.00 0.00 0.00 179.25 180.39 1qvg h ILE 118 N 0.32 0.94 -0.20 0.00 2.04 0.61 -1.19 117.51 120.02 1qvg h ILE 118 Ca 0.10 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1qvg h ILE 118 Cb 0.10 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 1qvg h ILE 118 CO -0.01 0.18 0.07 -0.61 0.00 0.00 0.00 178.15 177.78 1qvg h GLN 119 N 0.98 0.30 -0.20 2.37 4.15 0.87 -2.33 115.11 121.26 1qvg h GLN 119 Ca 0.47 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.88 1qvg h GLN 119 Cb 0.43 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 1qvg h GLN 119 CO -0.25 0.38 -0.08 1.49 -1.93 0.00 0.00 178.83 178.44 1qvg h GLU 120 N 0.16 -0.05 0.08 1.69 4.81 0.40 -1.04 114.58 120.63 1qvg h GLU 120 Ca 0.07 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1qvg h GLU 120 Cb 0.20 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1qvg h GLU 120 CO -0.00 -0.03 -0.40 0.78 -0.73 0.00 0.00 179.01 178.62 1qvg h GLY 121 N -0.05 -0.78 0.79 1.92 0.00 -1.12 -1.08 103.07 102.75 1qvg h GLY 121 Ca 0.11 0.48 0.12 0.00 0.00 0.00 0.00 47.33 48.04 1qvg h GLY 121 CO -0.24 -0.26 0.49 0.00 0.00 0.00 0.00 176.54 176.54 1qvg h ALA 122 N -0.08 1.95 0.36 3.60 0.00 -1.13 -0.40 119.26 123.56 1qvg h ALA 122 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1qvg h ALA 122 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qvg h ALA 122 CO -0.26 -0.13 -0.17 0.82 0.00 0.00 0.00 179.25 179.51 1qvg h ILE 123 N 0.55 0.65 -0.14 0.00 2.04 -0.31 -2.66 117.51 117.65 1qvg h ILE 123 Ca 0.36 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1qvg h ILE 123 Cb 0.64 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1qvg h ILE 123 CO -0.13 0.05 0.16 0.44 0.00 0.00 0.00 178.15 178.67 1qvg h ASP 124 N -0.62 0.00 0.67 1.72 3.32 -0.03 0.17 116.42 121.66 1qvg h ASP 124 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1qvg h ASP 124 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1qvg h ASP 124 CO 0.08 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 1qvg n ALA 125 N -2.32 1.74 0.00 3.45 0.00 -0.28 -4.82 120.51 118.28 1qvg n ALA 125 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qvg n ALA 125 Cb 0.27 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1qvg n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 126 N 0.17 1.15 3.75 0.00 0.00 0.59 -4.57 105.19 106.29 1qvg n GLY 126 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1qvg n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qvg s LEU 127 N 0.00 4.55 -0.52 0.99 2.96 -1.03 -4.96 118.68 120.68 1qvg s LEU 127 Ca 0.00 1.71 -0.20 0.00 -0.22 0.00 0.00 54.13 55.41 1qvg s LEU 127 Cb 0.00 -3.42 0.05 0.00 0.50 0.00 0.00 46.19 43.32 1qvg s LEU 127 CO 0.00 0.09 0.70 -1.81 -1.32 0.00 0.00 176.35 174.01 1qvg s ASP 128 N -0.65 6.25 -0.05 3.68 1.01 0.03 -4.19 116.67 122.76 1qvg s ASP 128 Ca 0.40 -0.79 0.02 0.00 0.71 0.00 0.00 52.55 52.89 1qvg s ASP 128 Cb -0.23 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1qvg s ASP 128 CO 0.28 -0.97 -0.10 -0.63 0.21 0.00 0.00 175.17 173.96 1qvg s ILE 129 N 2.93 0.91 -0.13 0.77 1.01 -1.26 -1.66 121.20 123.77 1qvg s ILE 129 Ca 0.18 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 1qvg s ILE 129 Cb -0.18 -0.84 -0.07 0.00 0.01 0.00 0.00 42.46 41.38 1qvg s ILE 129 CO 0.13 0.30 2.12 -2.65 0.00 0.00 0.00 174.94 174.84 1qvg n PRO 130 N 3.74 2.27 -2.67 2.79 -0.02 -1.26 -4.92 135.00 134.93 1qvg n PRO 130 Ca -0.23 0.72 -0.06 0.00 -2.02 0.00 0.00 63.50 61.92 1qvg n PRO 130 Cb 0.52 -3.10 -0.02 0.00 -0.02 0.00 0.00 33.50 30.88 1qvg n PRO 130 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1qvg n HIS 131 N 9.90 -0.28 -3.41 6.00 1.44 -1.26 -4.75 115.22 122.86 1qvg n HIS 131 Ca 0.26 -0.87 -0.20 0.00 -2.01 0.00 0.00 57.72 54.91 1qvg n HIS 131 Cb 0.42 0.10 -0.10 0.00 0.12 0.00 0.00 29.99 30.52 1qvg n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1qvg s ASN 132 N -1.72 1.87 0.32 4.39 3.84 -1.26 -5.05 114.94 117.33 1qvg s ASN 132 Ca 0.12 -1.20 0.13 0.00 0.21 0.00 0.00 52.86 52.13 1qvg s ASN 132 Cb 0.01 0.34 1.06 0.00 -0.55 0.00 0.00 41.25 42.10 1qvg s ASN 132 CO 0.09 -0.35 1.46 0.47 -2.79 0.00 0.00 177.10 175.98 1qvg n ASP 133 N 4.87 0.17 -1.19 -4.21 8.00 -1.26 -1.44 116.55 121.49 1qvg n ASP 133 Ca 0.03 1.55 -0.04 0.00 0.71 0.00 0.00 54.79 57.04 1qvg n ASP 133 Cb 0.45 -0.69 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1qvg n ASP 133 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1qvg n ASP 134 N -5.19 2.91 -0.02 -2.24 5.68 -1.26 -2.44 116.55 113.98 1qvg n ASP 134 Ca 0.30 -2.38 0.01 0.00 -0.50 0.00 0.00 54.79 52.22 1qvg n ASP 134 Cb 1.02 -0.58 -0.01 0.00 -1.14 0.00 0.00 41.12 40.41 1qvg n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1qvg n VAL 135 N 0.09 0.00 -2.47 2.12 3.14 -0.52 -4.98 118.33 115.71 1qvg n VAL 135 Ca 0.14 -0.45 -0.25 0.00 -2.96 0.00 0.00 64.34 60.81 1qvg n VAL 135 Cb 0.72 1.01 0.04 0.00 -1.06 0.00 0.00 33.84 34.55 1qvg n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1qvg s LEU 136 N -1.75 3.20 0.74 6.55 1.43 -1.02 0.53 118.68 128.36 1qvg s LEU 136 Ca 0.01 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1qvg s LEU 136 Cb 0.02 -3.29 0.04 0.00 0.03 0.00 0.00 46.19 42.98 1qvg s LEU 136 CO 0.09 -1.14 1.08 0.00 0.23 0.00 0.00 176.35 176.60 1qvg s ALA 137 N -2.96 2.51 -0.83 4.21 0.00 -1.26 -4.23 121.76 119.21 1qvg s ALA 137 Ca 0.55 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 1qvg s ALA 137 Cb -0.10 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 1qvg s ALA 137 CO 0.43 -1.44 3.10 -0.40 0.00 0.00 0.00 175.76 177.45 1qvg n ASP 138 N -3.25 7.07 0.00 0.00 5.75 -1.26 -4.86 116.55 119.99 1qvg n ASP 138 Ca 0.07 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 1qvg n ASP 138 Cb 0.55 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 1qvg n ASP 138 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1qvg n TRP 139 N 2.54 0.00 -0.04 2.11 -0.00 -1.26 -4.11 117.44 116.68 1qvg n TRP 139 Ca 0.59 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.94 1qvg n TRP 139 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.76 1qvg n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1qvg h GLN 140 N 0.00 0.52 0.00 5.87 1.08 -1.99 -1.83 115.11 118.77 1qvg h GLN 140 Ca 0.00 -0.40 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 1qvg h GLN 140 Cb 0.00 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1qvg h GLN 140 CO 0.00 1.02 -0.21 -0.09 -0.95 0.00 0.00 178.83 178.61 1qvg h ARG 141 N 0.13 0.00 -0.27 1.46 2.43 -1.94 0.27 114.38 116.46 1qvg h ARG 141 Ca -0.02 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 1qvg h ARG 141 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1qvg h ARG 141 CO 0.10 0.21 -0.52 1.15 -1.51 0.00 0.00 179.97 179.39 1qvg h THR 142 N 0.00 1.28 -0.21 0.20 2.02 -1.83 -2.70 112.91 111.68 1qvg h THR 142 Ca -0.00 -1.71 -0.05 0.00 0.77 0.00 0.00 66.41 65.42 1qvg h THR 142 Cb 0.54 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1qvg h THR 142 CO 0.03 0.55 -0.08 0.03 0.37 0.00 0.00 175.52 176.42 1qvg h ARG 143 N 0.58 0.32 0.00 6.66 3.08 -0.69 -2.53 114.38 121.81 1qvg h ARG 143 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1qvg h ARG 143 Cb 1.13 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1qvg h ARG 143 CO 0.12 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 179.84 1qvg n GLY 144 N -0.91 0.99 0.12 0.04 0.00 -0.43 -4.55 105.19 100.45 1qvg n GLY 144 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1qvg n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg h ALA 145 N 0.00 0.13 0.00 4.61 0.00 -1.19 -3.11 119.26 119.69 1qvg h ALA 145 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.07 1qvg h ALA 145 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qvg h ALA 145 CO 0.00 0.91 -0.00 1.12 0.00 0.00 0.00 179.25 181.28 1qvg h HIS 146 N 0.12 0.00 0.03 0.00 2.07 -1.85 -1.46 115.15 114.06 1qvg h HIS 146 Ca -0.14 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.20 1qvg h HIS 146 Cb 1.91 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.87 1qvg h HIS 146 CO 0.07 0.00 -0.99 0.97 -3.07 0.00 0.00 177.93 174.91 1qvg h ILE 147 N 0.00 1.16 -0.43 6.12 2.10 -1.93 -3.10 117.51 121.43 1qvg h ILE 147 Ca -0.00 -2.28 0.08 0.00 1.08 0.00 0.00 64.86 63.74 1qvg h ILE 147 Cb 0.01 2.65 -0.06 0.00 -1.09 0.00 0.00 36.82 38.32 1qvg h ILE 147 CO 0.00 0.49 0.04 0.00 -1.08 0.00 0.00 178.15 177.60 1qvg h ALA 148 N -0.25 0.43 0.00 0.18 0.00 -1.41 0.19 119.26 118.41 1qvg h ALA 148 Ca -0.25 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1qvg h ALA 148 Cb 1.35 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1qvg h ALA 148 CO -0.09 -0.36 -0.05 0.93 0.00 0.00 0.00 179.25 179.69 1qvg h GLU 149 N 0.15 0.00 0.00 0.00 5.08 -1.43 -1.76 114.58 116.63 1qvg h GLU 149 Ca 0.21 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 1qvg h GLU 149 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1qvg h GLU 149 CO -0.32 0.05 -0.90 -0.92 -1.00 0.00 0.00 179.01 175.92 1qvg h TYR 150 N 0.00 0.03 0.00 4.33 3.20 -0.59 -2.95 116.97 121.00 1qvg h TYR 150 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1qvg h TYR 150 Cb 0.21 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1qvg h TYR 150 CO 0.00 0.91 -0.06 -3.47 -1.64 0.00 0.00 178.16 173.90 1qvg n ASP 151 N -3.50 0.13 0.08 -2.11 -0.08 -0.50 -2.88 116.55 107.70 1qvg n ASP 151 Ca -0.01 0.43 -0.04 0.00 -1.51 0.00 0.00 54.79 53.66 1qvg n ASP 151 Cb 0.85 -0.45 0.17 0.00 2.34 0.00 0.00 41.12 44.03 1qvg n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1qvg h GLU 152 N 0.00 0.27 -1.41 -0.67 4.57 -1.28 -0.58 114.58 115.48 1qvg h GLU 152 Ca 0.00 -0.15 -0.18 0.00 -1.18 0.00 0.00 59.36 57.85 1qvg h GLU 152 Cb 0.52 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.04 1qvg h GLU 152 CO 0.00 0.71 0.23 1.04 -1.18 0.00 0.00 179.01 179.80 1qvg n GLN 153 N -3.96 1.44 0.00 1.92 6.02 -1.14 -4.79 117.38 116.87 1qvg n GLN 153 Ca -0.02 -0.92 0.00 0.00 -0.01 0.00 0.00 57.00 56.05 1qvg n GLN 153 Cb 0.54 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1qvg n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1qvg n LEU 154 N 0.47 0.00 0.00 1.08 7.94 -0.23 -4.79 117.00 121.47 1qvg n LEU 154 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1qvg n LEU 154 Cb 0.67 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.62 1qvg n LEU 154 CO 0.21 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.70 1qvg n GLU 155 N 0.00 0.00 -3.64 1.96 2.13 -1.26 -4.89 120.64 114.94 1qvg n GLU 155 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1qvg n GLU 155 Cb 0.00 -0.25 -0.07 0.00 0.27 0.00 0.00 31.44 31.39 1qvg n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1qvg s GLU 156 N -0.43 0.69 0.08 5.31 2.02 -1.26 -5.14 118.70 119.97 1qvg s GLU 156 Ca 0.00 1.26 -0.36 0.00 0.02 0.00 0.00 54.97 55.89 1qvg s GLU 156 Cb 0.00 0.23 -0.15 0.00 0.10 0.00 0.00 34.13 34.31 1qvg s GLU 156 CO 0.00 -0.16 1.47 -2.30 0.02 0.00 0.00 175.26 174.29 1qvg n PRO 157 N 4.46 1.55 0.24 0.39 -0.02 -1.26 -4.85 135.00 135.51 1qvg n PRO 157 Ca -0.19 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1qvg n PRO 157 Cb 0.58 -2.26 0.61 0.00 -0.02 0.00 0.00 33.50 32.41 1qvg n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qvg h LEU 158 N 5.39 0.00 -8.55 2.45 5.85 -1.90 -3.40 115.31 115.16 1qvg h LEU 158 Ca -0.47 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 57.58 1qvg h LEU 158 Cb 1.30 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 42.10 1qvg h LEU 158 CO 0.83 0.14 -0.56 -0.31 -0.34 0.00 0.00 178.44 178.20 1qvg s TYR 159 N -4.55 3.17 -0.68 1.25 1.51 -1.26 -5.04 117.35 111.76 1qvg s TYR 159 Ca -0.04 -0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 55.15 1qvg s TYR 159 Cb 0.15 -2.34 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 1qvg s TYR 159 CO 0.65 -0.47 2.04 0.45 -1.11 0.00 0.00 175.55 177.11 1qvg s SER 160 N 1.60 4.94 0.00 2.29 0.15 -1.26 -4.35 113.70 117.07 1qvg s SER 160 Ca 0.04 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1qvg s SER 160 Cb -0.17 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1qvg s SER 160 CO 0.06 -2.72 0.00 0.61 1.20 0.00 0.00 173.24 172.39 1qvg n GLY 161 N 6.16 1.42 0.32 9.45 0.00 -1.26 -4.90 105.19 116.38 1qvg n GLY 161 Ca 0.31 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1qvg n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qvg n ASP 162 N 2.98 0.00 -4.43 1.61 9.92 -1.26 -4.55 116.55 120.82 1qvg n ASP 162 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1qvg n ASP 162 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1qvg n ASP 162 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1qvg s PHE 163 N 0.00 2.26 0.14 1.24 -0.00 -1.26 -5.08 117.98 115.29 1qvg s PHE 163 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 56.93 56.57 1qvg s PHE 163 Cb 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 43.02 41.95 1qvg s PHE 163 CO 0.00 0.56 0.00 -0.40 -0.00 0.00 0.00 175.22 175.38 1qvg n ASP 164 N -0.04 -3.17 0.00 1.98 5.68 -1.26 -4.78 116.55 114.96 1qvg n ASP 164 Ca -0.10 0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 1qvg n ASP 164 Cb 0.57 -2.22 0.00 0.00 -1.14 0.00 0.00 41.12 38.34 1qvg n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qvg n ALA 165 N -1.66 2.09 0.70 2.12 0.00 -1.26 -4.69 120.51 117.80 1qvg n ALA 165 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1qvg n ALA 165 Cb 0.56 0.45 0.26 0.00 0.00 0.00 0.00 19.45 20.72 1qvg n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qvg n ALA 166 N -2.44 2.46 -1.47 0.00 0.00 -1.26 -4.40 120.51 113.40 1qvg n ALA 166 Ca 0.00 -0.80 0.18 0.00 0.00 0.00 0.00 53.44 52.82 1qvg n ALA 166 Cb 0.45 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 1qvg n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qvg n ASP 167 N 1.10 -8.40 -3.55 0.00 8.00 -1.26 -4.69 116.55 107.74 1qvg n ASP 167 Ca 0.18 1.27 -0.29 0.00 0.71 0.00 0.00 54.79 56.66 1qvg n ASP 167 Cb 0.52 -4.90 -0.13 0.00 -0.02 0.00 0.00 41.12 36.58 1qvg n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qvg s LEU 168 N -7.30 1.20 0.15 0.64 1.43 -1.26 -4.91 118.68 108.62 1qvg s LEU 168 Ca 0.00 -1.90 0.17 0.00 -1.03 0.00 0.00 54.13 51.37 1qvg s LEU 168 Cb 0.00 -0.51 0.76 0.00 0.03 0.00 0.00 46.19 46.46 1qvg s LEU 168 CO 0.00 -0.36 1.53 -2.65 0.23 0.00 0.00 176.35 175.10 1qvg n PRO 169 N 4.44 0.10 -0.08 1.29 -0.02 -1.26 -0.95 135.00 138.52 1qvg n PRO 169 Ca 0.05 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 1qvg n PRO 169 Cb 0.39 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.11 1qvg n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qvg h GLU 170 N 0.00 0.74 -0.64 -0.52 3.07 -1.91 -1.96 114.58 113.36 1qvg h GLU 170 Ca 0.00 -0.44 0.19 0.00 -0.50 0.00 0.00 59.36 58.61 1qvg h GLU 170 Cb 0.22 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1qvg h GLU 170 CO 0.00 1.06 0.51 1.25 -1.40 0.00 0.00 179.01 180.44 1qvg h HIS 171 N 0.48 0.00 0.33 4.33 2.76 -1.44 0.32 115.15 121.93 1qvg h HIS 171 Ca 0.03 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1qvg h HIS 171 Cb 0.99 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1qvg h HIS 171 CO 0.08 0.00 -0.16 0.35 -1.30 0.00 0.00 177.93 176.90 1qvg h PHE 172 N 0.00 -0.41 -0.26 5.26 3.57 -1.34 -2.25 116.94 121.50 1qvg h PHE 172 Ca 0.31 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.84 1qvg h PHE 172 Cb 1.33 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 1qvg h PHE 172 CO 0.00 -0.09 0.00 -0.44 -2.23 0.00 0.00 178.31 175.55 1qvg h ASP 173 N -0.74 -0.10 -0.96 0.41 3.32 -0.28 0.34 116.42 118.41 1qvg h ASP 173 Ca -0.04 0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.23 1qvg h ASP 173 Cb 0.50 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 40.07 1qvg h ASP 173 CO 0.07 -0.02 0.61 -0.33 -1.72 0.00 0.00 179.24 177.85 1qvg h GLU 174 N 0.08 0.72 0.08 3.56 5.08 -0.91 0.23 114.58 123.41 1qvg h GLU 174 Ca 0.12 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1qvg h GLU 174 Cb 0.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qvg h GLU 174 CO -0.21 0.47 -0.04 1.25 -1.00 0.00 0.00 179.01 179.49 1qvg h LEU 175 N 0.74 -0.09 -0.59 1.33 5.85 -0.58 -2.41 115.31 119.56 1qvg h LEU 175 Ca 0.51 -0.48 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1qvg h LEU 175 Cb 0.82 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1qvg h LEU 175 CO -0.28 0.58 0.02 -0.09 -0.34 0.00 0.00 178.44 178.33 1qvg h ARG 176 N -0.91 0.13 -0.74 1.25 2.43 -0.65 0.33 114.38 116.22 1qvg h ARG 176 Ca -0.01 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.31 1qvg h ARG 176 Cb 0.56 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.97 1qvg h ARG 176 CO 0.02 0.09 0.17 1.49 -1.51 0.00 0.00 179.97 180.23 1qvg h GLU 177 N 0.14 0.25 -0.03 0.20 4.57 -0.62 -2.12 114.58 116.97 1qvg h GLU 177 Ca 0.31 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1qvg h GLU 177 Cb 0.48 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1qvg h GLU 177 CO -0.49 0.17 0.02 1.15 -1.18 0.00 0.00 179.01 178.68 1qvg h THR 178 N 0.26 1.05 0.00 0.32 2.02 0.15 -2.83 112.91 113.87 1qvg h THR 178 Ca 0.42 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 1qvg h THR 178 Cb 0.71 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1qvg h THR 178 CO -0.52 0.04 -0.01 -0.07 0.37 0.00 0.00 175.52 175.33 1qvg h LEU 179 N -0.00 0.00 -3.50 2.58 3.38 -0.63 -3.26 115.31 113.87 1qvg h LEU 179 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1qvg h LEU 179 Cb 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1qvg h LEU 179 CO -0.00 0.01 0.08 0.18 0.09 0.00 0.00 178.44 178.80 1qvg n LEU 180 N -3.28 5.76 0.00 1.67 4.77 -0.98 -4.78 117.00 120.16 1qvg n LEU 180 Ca -0.02 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 1qvg n LEU 180 Cb 0.12 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1qvg n LEU 180 CO 0.23 1.29 0.00 -0.90 -1.33 0.00 0.00 177.39 176.68 1qvg n ASP 181 N 1.32 0.00 0.00 -1.43 5.75 -1.23 -5.06 116.55 115.89 1qvg n ASP 181 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1qvg n ASP 181 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1qvg n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qvg n GLY 182 N 0.00 3.18 0.77 6.12 0.00 -1.26 -5.01 105.19 109.00 1qvg n GLY 182 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1qvg n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qvg n ASP 183 N 8.11 0.00 -4.79 1.61 5.75 -1.26 -4.70 116.55 121.28 1qvg n ASP 183 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 1qvg n ASP 183 Cb 0.00 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 38.61 1qvg n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1qvg s ILE 184 N -4.39 3.50 -1.36 2.12 -1.09 -1.26 -3.90 121.20 114.82 1qvg s ILE 184 Ca 0.00 0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 59.22 1qvg s ILE 184 Cb 0.00 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1qvg s ILE 184 CO 0.00 -0.30 0.46 -0.62 -1.23 0.00 0.00 174.94 173.25 1qvg n GLU 185 N -1.59 -3.88 0.00 2.79 1.02 -1.26 -5.15 120.64 112.56 1qvg n GLU 185 Ca 0.10 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 1qvg n GLU 185 Cb 0.52 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.56 1qvg n GLU 185 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59