#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvg n PHE 2 N 0.00 0.00 -1.57 0.00 3.72 -1.26 -5.07 117.46 113.29 1mvg n PHE 2 Ca 0.00 -0.01 -0.49 0.00 -0.05 0.00 0.00 57.45 56.89 1mvg n PHE 2 Cb 0.00 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1mvg n PHE 2 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1mvg n SER 3 N -0.01 2.75 0.00 4.37 2.88 -1.26 -4.63 113.62 117.72 1mvg n SER 3 Ca 0.00 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1mvg n SER 3 Cb 0.15 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 1mvg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mvg n GLY 4 N 5.55 -1.83 3.43 0.46 0.00 -0.43 -4.98 105.19 107.39 1mvg n GLY 4 Ca 0.32 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 1mvg n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mvg s THR 5 N -2.25 2.34 0.02 2.61 2.01 -1.26 -1.17 115.64 117.94 1mvg s THR 5 Ca 0.00 -2.14 -0.14 0.00 0.31 0.00 0.00 61.69 59.72 1mvg s THR 5 Cb 0.00 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1mvg s THR 5 CO 0.00 -0.22 0.30 0.26 -0.69 0.00 0.00 174.62 174.27 1mvg s TRP 6 N -1.97 -0.12 -0.11 4.92 0.52 0.47 -0.93 118.94 121.71 1mvg s TRP 6 Ca 0.23 0.07 -0.00 0.00 0.02 0.00 0.00 56.10 56.42 1mvg s TRP 6 Cb -0.07 0.09 0.02 0.00 -1.15 0.00 0.00 33.47 32.37 1mvg s TRP 6 CO 0.11 -0.45 -0.08 -1.14 0.02 0.00 0.00 176.95 175.41 1mvg s GLN 7 N -2.07 1.52 -0.04 4.98 2.00 -0.45 -1.28 119.66 124.32 1mvg s GLN 7 Ca -0.08 -0.25 -0.33 0.00 -2.00 0.00 0.00 55.36 52.69 1mvg s GLN 7 Cb -0.03 -1.58 -0.11 0.00 0.80 0.00 0.00 33.01 32.09 1mvg s GLN 7 CO -0.00 -0.26 1.87 0.28 -0.50 0.00 0.00 175.29 176.67 1mvg n VAL 8 N 4.93 0.56 -0.10 1.34 0.31 -1.21 -1.22 118.33 122.94 1mvg n VAL 8 Ca -0.13 -0.10 -0.19 0.00 -0.01 0.00 0.00 64.34 63.91 1mvg n VAL 8 Cb 0.50 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.39 1mvg n VAL 8 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1mvg h TYR 9 N 9.16 0.00 -4.04 3.52 3.20 -1.24 -3.46 116.97 124.11 1mvg h TYR 9 Ca -0.48 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.27 1mvg h TYR 9 Cb 1.26 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.39 1mvg h TYR 9 CO 0.87 1.28 -0.49 0.00 -1.64 0.00 0.00 178.16 178.18 1mvg s ALA 10 N -2.41 0.20 -0.22 1.82 0.00 -1.09 -5.03 121.76 115.03 1mvg s ALA 10 Ca -0.27 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 1mvg s ALA 10 Cb 0.05 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.80 1mvg s ALA 10 CO 0.54 -0.50 0.58 1.14 0.00 0.00 0.00 175.76 177.52 1mvg s GLN 11 N -3.93 0.65 -0.13 0.00 -2.07 -1.26 -1.37 119.66 111.55 1mvg s GLN 11 Ca 0.11 0.87 -0.15 0.00 -1.82 0.00 0.00 55.36 54.36 1mvg s GLN 11 Cb 0.06 0.27 0.04 0.00 -1.09 0.00 0.00 33.01 32.29 1mvg s GLN 11 CO -0.06 -0.10 0.42 -2.00 -1.32 0.00 0.00 175.29 172.22 1mvg s GLU 12 N 0.61 0.55 -1.26 9.60 2.12 0.06 -4.81 118.70 125.56 1mvg s GLU 12 Ca -0.02 0.45 -0.02 0.00 0.36 0.00 0.00 54.97 55.74 1mvg s GLU 12 Cb -0.05 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.62 1mvg s GLU 12 CO -0.04 -0.09 0.15 -1.71 -0.54 0.00 0.00 175.26 173.03 1mvg n ASN 13 N 2.52 -4.42 -0.12 -1.70 5.15 -1.26 -1.75 115.26 113.67 1mvg n ASN 13 Ca -0.15 0.01 -0.26 0.00 -0.60 0.00 0.00 54.58 53.59 1mvg n ASN 13 Cb 0.57 -3.70 -0.11 0.00 -0.53 0.00 0.00 39.78 36.01 1mvg n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mvg n TYR 14 N -3.70 0.53 -0.19 1.20 9.36 -1.26 -3.94 117.16 119.16 1mvg n TYR 14 Ca -0.14 0.22 0.17 0.00 3.32 0.00 0.00 57.90 61.47 1mvg n TYR 14 Cb 0.61 -1.05 0.51 0.00 -0.63 0.00 0.00 39.34 38.77 1mvg n TYR 14 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1mvg h GLU 15 N -0.96 0.40 -0.14 2.98 9.09 -1.94 0.08 114.58 124.10 1mvg h GLU 15 Ca -0.52 -0.02 0.03 0.00 0.05 0.00 0.00 59.36 58.89 1mvg h GLU 15 Cb 1.48 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.46 1mvg h GLU 15 CO -0.31 0.27 -0.02 0.93 0.05 0.00 0.00 179.01 179.93 1mvg h GLU 16 N 0.42 0.02 -0.34 1.06 3.07 -1.96 -0.82 114.58 116.02 1mvg h GLU 16 Ca 0.40 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.17 1mvg h GLU 16 Cb 0.96 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 1mvg h GLU 16 CO -0.14 0.01 -0.17 0.35 -1.40 0.00 0.00 179.01 177.67 1mvg h PHE 17 N 0.02 0.83 -0.79 4.33 3.57 -1.17 -0.77 116.94 122.96 1mvg h PHE 17 Ca 0.07 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.40 1mvg h PHE 17 Cb 0.09 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1mvg h PHE 17 CO -0.16 0.92 0.49 -0.07 -2.23 0.00 0.00 178.31 177.26 1mvg h LEU 18 N 0.50 0.80 -0.71 0.59 3.38 -1.13 0.13 115.31 118.86 1mvg h LEU 18 Ca 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1mvg h LEU 18 Cb 0.70 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1mvg h LEU 18 CO 0.05 0.53 0.29 0.50 0.09 0.00 0.00 178.44 179.91 1mvg h LYS 19 N 0.94 1.05 0.00 1.13 1.63 -0.97 -2.34 116.57 118.01 1mvg h LYS 19 Ca 0.33 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1mvg h LYS 19 Cb 0.08 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1mvg h LYS 19 CO -0.14 0.86 -0.19 0.00 -3.45 0.00 0.00 179.45 176.53 1mvg h ALA 20 N 1.14 1.27 -2.43 5.00 0.00 -0.26 -3.45 119.26 120.53 1mvg h ALA 20 Ca 0.24 -0.18 -0.46 0.00 0.00 0.00 0.00 54.91 54.51 1mvg h ALA 20 Cb 0.19 -0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.08 1mvg h ALA 20 CO -0.02 0.24 0.39 -0.51 0.00 0.00 0.00 179.25 179.35 1mvg s LEU 21 N -7.41 2.41 0.23 0.00 1.43 0.36 -4.98 118.68 110.72 1mvg s LEU 21 Ca -0.02 0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 53.69 1mvg s LEU 21 Cb 0.13 -3.00 0.34 0.00 0.03 0.00 0.00 46.19 43.69 1mvg s LEU 21 CO 0.63 -2.30 1.81 0.00 0.23 0.00 0.00 176.35 176.72 1mvg h ALA 22 N -1.33 1.07 -2.74 4.21 0.00 -1.86 -3.44 119.26 115.17 1mvg h ALA 22 Ca -0.46 0.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.94 1mvg h ALA 22 Cb 1.30 -0.14 0.07 0.00 0.00 0.00 0.00 17.79 19.03 1mvg h ALA 22 CO 0.57 0.10 0.95 -0.48 0.00 0.00 0.00 179.25 180.39 1mvg s LEU 23 N -10.26 4.35 0.80 0.00 2.34 -1.26 -4.97 118.68 109.68 1mvg s LEU 23 Ca -0.13 2.93 -0.11 0.00 0.06 0.00 0.00 54.13 56.88 1mvg s LEU 23 Cb 0.18 -3.62 0.07 0.00 -0.56 0.00 0.00 46.19 42.26 1mvg s LEU 23 CO 0.77 -0.95 1.09 -2.16 -1.06 0.00 0.00 176.35 174.05 1mvg s PRO 24 N 0.20 2.07 0.50 1.48 0.04 -1.26 -4.69 135.00 133.35 1mvg s PRO 24 Ca 0.68 0.68 0.23 0.00 0.04 0.00 0.00 61.00 62.64 1mvg s PRO 24 Cb -0.49 -1.91 1.30 0.00 0.04 0.00 0.00 34.50 33.44 1mvg s PRO 24 CO 0.41 -1.64 1.96 1.49 0.04 0.00 0.00 177.00 179.27 1mvg h GLU 25 N -1.10 0.12 -0.66 4.56 4.81 -1.92 0.60 114.58 120.98 1mvg h GLU 25 Ca -0.47 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1mvg h GLU 25 Cb 1.27 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 1mvg h GLU 25 CO 0.59 0.08 0.37 -0.44 -0.73 0.00 0.00 179.01 178.87 1mvg h ASP 26 N 0.12 0.54 0.83 1.04 5.19 -2.00 -1.49 116.42 120.65 1mvg h ASP 26 Ca 0.31 0.03 -0.23 0.00 -0.62 0.00 0.00 57.03 56.51 1mvg h ASP 26 Cb 1.04 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.44 1mvg h ASP 26 CO -0.04 0.35 -1.25 -0.07 -3.12 0.00 0.00 179.24 175.11 1mvg h LEU 27 N 0.67 0.00 -1.44 1.55 3.38 -1.26 -3.19 115.31 115.02 1mvg h LEU 27 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1mvg h LEU 27 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1mvg h LEU 27 CO -0.18 0.97 0.15 0.16 0.09 0.00 0.00 178.44 179.62 1mvg h ILE 28 N 0.00 1.14 -0.93 1.22 -0.00 -1.17 -1.59 117.51 116.19 1mvg h ILE 28 Ca -0.11 -0.45 0.18 0.00 -0.00 0.00 0.00 64.86 64.47 1mvg h ILE 28 Cb 1.84 0.71 -0.08 0.00 -0.00 0.00 0.00 36.82 39.29 1mvg h ILE 28 CO 0.11 0.17 0.59 0.50 -0.00 0.00 0.00 178.15 179.52 1mvg h LYS 29 N 0.52 0.60 0.35 0.16 1.63 -1.26 -0.22 116.57 118.35 1mvg h LYS 29 Ca 0.13 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1mvg h LYS 29 Cb 0.11 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1mvg h LYS 29 CO -0.01 0.39 -0.17 0.52 -3.45 0.00 0.00 179.45 176.73 1mvg h MET 30 N 0.61 -0.46 -0.99 1.90 2.86 -1.38 -3.31 114.93 114.17 1mvg h MET 30 Ca 0.49 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 58.33 1mvg h MET 30 Cb 0.92 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.59 1mvg h MET 30 CO -0.24 -0.21 0.60 0.00 1.06 0.00 0.00 176.91 178.12 1mvg h ALA 31 N -0.90 1.58 -0.82 6.32 0.00 -1.20 -0.81 119.26 123.43 1mvg h ALA 31 Ca -0.05 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1mvg h ALA 31 Cb 0.46 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1mvg h ALA 31 CO 0.08 0.02 0.55 -0.09 0.00 0.00 0.00 179.25 179.81 1mvg h ARG 32 N 0.81 0.39 -0.75 0.00 2.43 -1.14 -2.19 114.38 113.93 1mvg h ARG 32 Ca 0.54 -0.02 -0.53 0.00 -0.81 0.00 0.00 59.98 59.16 1mvg h ARG 32 Cb 0.76 -0.09 -0.43 0.00 -0.42 0.00 0.00 29.97 29.79 1mvg h ARG 32 CO -0.35 0.26 -0.83 -3.47 -1.51 0.00 0.00 179.97 174.07 1mvg n ASP 33 N -4.49 4.75 -4.14 -3.80 4.64 -0.34 -4.96 116.55 108.21 1mvg n ASP 33 Ca 0.17 -3.66 -0.26 0.00 -1.38 0.00 0.00 54.79 49.65 1mvg n ASP 33 Cb 0.61 -0.35 -0.16 0.00 -1.04 0.00 0.00 41.12 40.18 1mvg n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1mvg s ILE 34 N -4.58 1.46 -0.48 5.18 1.01 -0.83 -5.02 121.20 117.94 1mvg s ILE 34 Ca 0.50 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 1mvg s ILE 34 Cb 0.41 -1.26 0.10 0.00 0.01 0.00 0.00 42.46 41.72 1mvg s ILE 34 CO 0.03 0.42 0.39 -1.59 0.00 0.00 0.00 174.94 174.19 1mvg s LYS 35 N 0.06 2.79 0.23 2.79 -2.85 -1.26 -4.92 119.74 116.58 1mvg s LYS 35 Ca -0.05 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.04 1mvg s LYS 35 Cb -0.12 -4.07 -0.09 0.00 -2.06 0.00 0.00 37.83 31.49 1mvg s LYS 35 CO 0.02 -1.15 1.07 -1.25 0.10 0.00 0.00 175.35 174.15 1mvg s PRO 36 N 1.52 4.66 0.30 1.78 0.04 -1.26 -4.92 135.00 137.13 1mvg s PRO 36 Ca 0.04 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1mvg s PRO 36 Cb -0.26 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.94 1mvg s PRO 36 CO 0.03 0.21 1.06 0.42 0.04 0.00 0.00 177.00 178.76 1mvg s ILE 37 N -0.79 3.63 0.07 0.56 -1.09 -0.47 -3.30 121.20 119.81 1mvg s ILE 37 Ca 0.46 1.54 0.08 0.00 -2.23 0.00 0.00 60.65 60.50 1mvg s ILE 37 Cb -0.30 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1mvg s ILE 37 CO 0.37 0.29 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.46 1mvg s VAL 38 N -1.29 1.79 -0.09 2.92 1.01 -0.40 -1.22 120.40 123.12 1mvg s VAL 38 Ca 0.47 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1mvg s VAL 38 Cb -0.29 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1mvg s VAL 38 CO 0.36 0.11 0.36 -0.70 0.00 0.00 0.00 175.10 175.24 1mvg s GLU 39 N -1.53 0.54 0.03 2.72 2.12 0.17 -0.40 118.70 122.35 1mvg s GLU 39 Ca 0.08 0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.70 1mvg s GLU 39 Cb -0.09 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 1mvg s GLU 39 CO 0.03 -0.11 -0.14 0.42 -0.54 0.00 0.00 175.26 174.92 1mvg s ILE 40 N -0.43 1.12 -0.01 -3.70 1.09 -0.32 -0.75 121.20 118.20 1mvg s ILE 40 Ca -0.06 -0.93 -0.03 0.00 -1.10 0.00 0.00 60.65 58.54 1mvg s ILE 40 Cb -0.04 -1.00 -0.00 0.00 -1.06 0.00 0.00 42.46 40.36 1mvg s ILE 40 CO 0.02 0.07 0.06 -1.58 -0.10 0.00 0.00 174.94 173.41 1mvg s GLN 41 N -0.99 0.19 0.00 2.79 0.74 -0.61 -1.31 119.66 120.47 1mvg s GLN 41 Ca 0.02 -0.14 -0.23 0.00 0.05 0.00 0.00 55.36 55.06 1mvg s GLN 41 Cb -0.07 0.08 0.05 0.00 1.10 0.00 0.00 33.01 34.17 1mvg s GLN 41 CO 0.01 -0.03 0.52 1.14 -0.55 0.00 0.00 175.29 176.37 1mvg s GLN 42 N -0.52 0.95 -0.39 1.67 1.03 -1.26 -1.22 119.66 119.92 1mvg s GLN 42 Ca -0.06 -0.07 0.11 0.00 0.04 0.00 0.00 55.36 55.38 1mvg s GLN 42 Cb -0.04 0.44 0.36 0.00 0.03 0.00 0.00 33.01 33.80 1mvg s GLN 42 CO 0.00 -0.31 0.91 1.63 -2.54 0.00 0.00 175.29 174.98 1mvg n LYS 43 N 0.78 1.02 0.00 9.60 4.76 -1.20 -4.88 118.16 128.24 1mvg n LYS 43 Ca -0.19 -2.84 0.00 0.00 -2.87 0.00 0.00 58.31 52.40 1mvg n LYS 43 Cb 0.58 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1mvg n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mvg n GLY 44 N 0.20 0.41 0.24 0.72 0.00 -1.26 -4.61 105.19 100.89 1mvg n GLY 44 Ca 0.16 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.62 1mvg n GLY 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mvg h ASP 45 N 0.00 0.00 -3.80 1.61 3.32 -1.98 -3.43 116.42 112.14 1mvg h ASP 45 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1mvg h ASP 45 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1mvg h ASP 45 CO 0.00 0.15 0.46 1.51 -1.72 0.00 0.00 179.24 179.64 1mvg s ASP 46 N -6.66 7.32 -0.04 6.45 1.47 -1.26 -1.95 116.67 121.99 1mvg s ASP 46 Ca -0.04 2.22 -0.02 0.00 1.18 0.00 0.00 52.55 55.90 1mvg s ASP 46 Cb 0.15 -2.62 0.03 0.00 -0.34 0.00 0.00 42.92 40.14 1mvg s ASP 46 CO 0.65 -0.10 0.09 -0.36 0.68 0.00 0.00 175.17 176.12 1mvg s PHE 47 N -1.17 -0.05 -0.08 2.11 0.40 -0.51 -3.25 117.98 115.43 1mvg s PHE 47 Ca 0.44 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 1mvg s PHE 47 Cb -0.31 -0.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 1mvg s PHE 47 CO 0.40 -0.15 -0.07 0.54 0.70 0.00 0.00 175.22 176.63 1mvg s VAL 48 N 1.41 3.65 -0.12 -0.44 0.11 -0.36 -2.04 120.40 122.61 1mvg s VAL 48 Ca -0.06 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1mvg s VAL 48 Cb -0.12 -2.50 -0.00 0.00 -1.53 0.00 0.00 36.38 32.22 1mvg s VAL 48 CO -0.04 0.58 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.41 1mvg s VAL 49 N -0.58 2.30 0.13 2.04 1.01 -0.40 -1.57 120.40 123.32 1mvg s VAL 49 Ca 0.09 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.23 1mvg s VAL 49 Cb -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1mvg s VAL 49 CO 0.02 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.57 1mvg s THR 50 N 0.45 1.81 0.12 3.92 2.01 0.07 -0.63 115.64 123.38 1mvg s THR 50 Ca -0.15 -1.70 0.08 0.00 0.31 0.00 0.00 61.69 60.23 1mvg s THR 50 Cb -0.17 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1mvg s THR 50 CO 0.06 -0.14 -0.20 -0.94 -0.69 0.00 0.00 174.62 172.71 1mvg s SER 51 N -2.21 2.54 -0.22 3.53 1.04 -0.00 -0.66 113.70 117.73 1mvg s SER 51 Ca 0.11 -0.73 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 1mvg s SER 51 Cb -0.08 -0.14 0.07 0.00 0.10 0.00 0.00 66.02 65.97 1mvg s SER 51 CO 0.05 0.03 0.07 -0.75 0.98 0.00 0.00 173.24 173.62 1mvg s LYS 52 N -2.15 0.42 -0.10 4.02 2.20 -0.35 -3.19 119.74 120.59 1mvg s LYS 52 Ca 0.09 -0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 55.19 1mvg s LYS 52 Cb -0.09 -1.87 0.03 0.00 -1.51 0.00 0.00 37.83 34.38 1mvg s LYS 52 CO 0.05 -0.75 0.26 0.99 -0.36 0.00 0.00 175.35 175.54 1mvg s THR 53 N 1.95 0.00 -1.03 3.43 2.01 -1.10 -1.36 115.64 119.53 1mvg s THR 53 Ca 0.03 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1mvg s THR 53 Cb -0.17 -0.38 0.05 0.00 0.01 0.00 0.00 72.50 72.02 1mvg s THR 53 CO -0.15 -0.01 1.18 -0.81 -0.69 0.00 0.00 174.62 174.14 1mvg n PRO 54 N 2.87 0.01 -0.02 4.92 -0.04 -1.26 -1.42 135.00 140.07 1mvg n PRO 54 Ca -0.13 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1mvg n PRO 54 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1mvg n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mvg n ARG 55 N -1.48 1.62 -2.73 0.54 1.74 -1.26 -4.95 116.66 110.13 1mvg n ARG 55 Ca 0.02 -1.12 -0.04 0.00 -0.77 0.00 0.00 57.85 55.94 1mvg n ARG 55 Cb 0.07 -0.80 0.02 0.00 -1.02 0.00 0.00 32.46 30.73 1mvg n ARG 55 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1mvg n GLN 56 N -0.32 0.38 -3.71 5.56 -0.06 -0.51 -5.10 117.38 113.62 1mvg n GLN 56 Ca 0.01 -1.56 -0.38 0.00 -2.00 0.00 0.00 57.00 53.07 1mvg n GLN 56 Cb 0.38 -0.86 -0.11 0.00 -4.06 0.00 0.00 30.24 25.59 1mvg n GLN 56 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1mvg s THR 57 N 0.90 3.62 0.05 1.69 2.01 -1.18 -2.73 115.64 120.01 1mvg s THR 57 Ca 0.28 -1.84 0.02 0.00 0.31 0.00 0.00 61.69 60.45 1mvg s THR 57 Cb 0.05 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1mvg s THR 57 CO -0.07 -0.64 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.46 1mvg s VAL 58 N 1.24 0.49 0.08 3.82 1.01 -1.19 -4.98 120.40 120.87 1mvg s VAL 58 Ca 0.06 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1mvg s VAL 58 Cb -0.23 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1mvg s VAL 58 CO -0.02 -0.55 -0.21 -0.89 0.00 0.00 0.00 175.10 173.43 1mvg s THR 59 N -2.07 1.71 -0.04 3.92 2.01 -1.26 -0.82 115.64 119.08 1mvg s THR 59 Ca -0.05 -1.39 0.01 0.00 0.31 0.00 0.00 61.69 60.57 1mvg s THR 59 Cb -0.05 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.95 1mvg s THR 59 CO -0.02 0.07 -0.05 0.20 -0.69 0.00 0.00 174.62 174.13 1mvg s ASN 60 N -1.58 0.94 -0.08 3.53 0.01 0.20 -4.87 114.94 113.10 1mvg s ASN 60 Ca 0.07 -0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.13 1mvg s ASN 60 Cb -0.09 -0.40 -0.00 0.00 0.41 0.00 0.00 41.25 41.16 1mvg s ASN 60 CO 0.03 -0.02 -0.21 -0.94 -1.51 0.00 0.00 177.10 174.45 1mvg s SER 61 N 0.70 2.72 0.34 -1.22 1.04 -1.22 -1.28 113.70 114.77 1mvg s SER 61 Ca -0.10 -0.47 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 1mvg s SER 61 Cb -0.13 -1.06 0.05 0.00 0.10 0.00 0.00 66.02 64.99 1mvg s SER 61 CO 0.00 0.16 0.79 0.72 0.98 0.00 0.00 173.24 175.90 1mvg s PHE 62 N 0.23 0.03 -0.04 5.02 -0.12 -0.86 -3.45 117.98 118.79 1mvg s PHE 62 Ca -0.12 -0.63 -0.08 0.00 -0.05 0.00 0.00 56.93 56.05 1mvg s PHE 62 Cb -0.16 0.79 0.01 0.00 -0.63 0.00 0.00 43.02 43.04 1mvg s PHE 62 CO 0.06 -1.43 0.18 0.99 -0.05 0.00 0.00 175.22 174.97 1mvg s THR 63 N -2.73 0.04 0.27 -4.49 2.01 -1.26 -1.42 115.64 108.06 1mvg s THR 63 Ca 0.15 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1mvg s THR 63 Cb -0.05 -0.37 -0.10 0.00 0.01 0.00 0.00 72.50 71.99 1mvg s THR 63 CO 0.10 -0.18 1.32 -0.76 -0.69 0.00 0.00 174.62 174.40 1mvg s LEU 64 N -0.65 4.42 -1.27 4.42 1.43 -0.82 -3.19 118.68 123.03 1mvg s LEU 64 Ca -0.07 2.58 -0.02 0.00 -1.03 0.00 0.00 54.13 55.58 1mvg s LEU 64 Cb -0.04 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1mvg s LEU 64 CO 0.01 -0.54 0.93 0.61 0.23 0.00 0.00 176.35 177.60 1mvg n GLY 65 N 1.55 -0.37 3.64 -3.19 0.00 -0.25 -4.99 105.19 101.58 1mvg n GLY 65 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1mvg n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mvg s LYS 66 N -5.74 1.54 -0.05 1.61 2.47 -1.19 -5.07 119.74 113.31 1mvg s LYS 66 Ca 0.12 -0.88 -0.29 0.00 -1.56 0.00 0.00 55.97 53.35 1mvg s LYS 66 Cb -0.05 0.56 -0.08 0.00 -1.46 0.00 0.00 37.83 36.80 1mvg s LYS 66 CO 0.76 -0.68 2.05 -1.21 0.16 0.00 0.00 175.35 176.43 1mvg s GLU 67 N -3.88 3.81 -0.33 4.03 2.02 -1.26 -4.34 118.70 118.75 1mvg s GLU 67 Ca 0.10 2.42 0.04 0.00 0.02 0.00 0.00 54.97 57.55 1mvg s GLU 67 Cb -0.03 -4.23 0.09 0.00 0.10 0.00 0.00 34.13 30.06 1mvg s GLU 67 CO 0.00 -1.33 0.03 0.00 0.02 0.00 0.00 175.26 173.98 1mvg s ALA 68 N 5.72 2.78 -0.41 5.21 0.00 -0.23 -4.54 121.76 130.29 1mvg s ALA 68 Ca 0.92 -2.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 1mvg s ALA 68 Cb -0.40 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 20.86 1mvg s ALA 68 CO 0.40 -1.61 1.13 0.16 0.00 0.00 0.00 175.76 175.83 1mvg s ASP 69 N 0.97 6.74 -0.01 0.00 -4.77 -1.22 -1.14 116.67 117.24 1mvg s ASP 69 Ca 0.08 0.73 0.05 0.00 -3.30 0.00 0.00 52.55 50.11 1mvg s ASP 69 Cb -0.19 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.08 1mvg s ASP 69 CO -0.08 -1.11 -0.17 -0.63 0.70 0.00 0.00 175.17 173.88 1mvg s ILE 70 N 4.17 1.31 0.17 2.11 1.01 -0.64 -3.43 121.20 125.90 1mvg s ILE 70 Ca 0.48 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1mvg s ILE 70 Cb -0.10 -1.09 -0.07 0.00 0.01 0.00 0.00 42.46 41.21 1mvg s ILE 70 CO 0.25 0.34 1.03 -0.89 0.00 0.00 0.00 174.94 175.67 1mvg s THR 71 N -0.43 4.07 0.07 2.92 2.01 -1.26 -1.13 115.64 121.89 1mvg s THR 71 Ca 0.06 1.82 -0.23 0.00 0.31 0.00 0.00 61.69 63.65 1mvg s THR 71 Cb -0.07 -4.16 -0.15 0.00 0.01 0.00 0.00 72.50 68.13 1mvg s THR 71 CO -0.00 0.33 1.66 0.00 -0.69 0.00 0.00 174.62 175.91 1mvg h THR 72 N 3.70 1.08 0.00 -0.82 1.03 -1.60 -3.48 112.91 112.82 1mvg h THR 72 Ca -0.44 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.72 1mvg h THR 72 Cb 1.21 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 1mvg h THR 72 CO 0.71 0.07 0.00 0.80 -0.01 0.00 0.00 175.52 177.09 1mvg n MET 73 N -5.02 0.00 0.23 0.00 1.56 -1.26 -5.03 117.12 107.60 1mvg n MET 73 Ca -0.07 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.22 1mvg n MET 73 Cb 0.07 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.36 1mvg n MET 73 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 1mvg h ASP 74 N 0.00 -0.51 0.00 6.12 2.03 -2.01 -3.46 116.42 118.59 1mvg h ASP 74 Ca 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1mvg h ASP 74 Cb 0.00 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1mvg h ASP 74 CO 0.00 -0.18 0.00 0.61 -1.03 0.00 0.00 179.24 178.64 1mvg n GLY 75 N -0.63 -0.89 2.92 7.15 0.00 -1.26 -5.05 105.19 107.44 1mvg n GLY 75 Ca -0.11 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1mvg n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mvg s LYS 76 N 0.00 0.21 0.40 1.61 2.20 -1.26 -5.04 119.74 117.86 1mvg s LYS 76 Ca 0.00 0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 56.03 1mvg s LYS 76 Cb 0.00 -0.46 -0.08 0.00 -1.51 0.00 0.00 37.83 35.78 1mvg s LYS 76 CO 0.00 -0.46 0.81 -1.59 -0.36 0.00 0.00 175.35 173.75 1mvg s LYS 77 N 2.42 3.91 0.08 4.03 0.00 -1.26 -1.47 119.74 127.46 1mvg s LYS 77 Ca 0.05 0.67 0.04 0.00 0.00 0.00 0.00 55.97 56.72 1mvg s LYS 77 Cb -0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 37.83 35.32 1mvg s LYS 77 CO -0.11 -0.02 -0.10 -0.48 0.00 0.00 0.00 175.35 174.64 1mvg s LEU 78 N -3.57 2.36 0.12 2.77 2.34 -0.28 -4.90 118.68 117.52 1mvg s LEU 78 Ca 0.54 -0.74 -0.17 0.00 0.06 0.00 0.00 54.13 53.82 1mvg s LEU 78 Cb -0.10 -0.32 -0.07 0.00 -0.56 0.00 0.00 46.19 45.14 1mvg s LEU 78 CO 0.26 -0.22 0.57 -1.59 -1.06 0.00 0.00 176.35 174.30 1mvg s LYS 79 N -2.44 4.10 0.28 1.48 -2.85 -1.26 -1.61 119.74 117.44 1mvg s LYS 79 Ca 0.02 0.64 0.01 0.00 -1.00 0.00 0.00 55.97 55.63 1mvg s LYS 79 Cb -0.05 -3.07 -0.02 0.00 -2.06 0.00 0.00 37.83 32.63 1mvg s LYS 79 CO 0.00 0.55 0.29 0.00 0.10 0.00 0.00 175.35 176.29 1mvg s THR 81 N -3.65 1.22 0.48 0.00 2.01 -1.26 -1.07 115.64 113.36 1mvg s THR 81 Ca 0.36 -2.83 -0.20 0.00 0.31 0.00 0.00 61.69 59.33 1mvg s THR 81 Cb 0.03 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.62 1mvg s THR 81 CO 0.19 -1.03 1.03 0.54 -0.69 0.00 0.00 174.62 174.65 1mvg s VAL 82 N -0.01 3.87 0.10 3.82 0.11 -1.26 -4.45 120.40 122.57 1mvg s VAL 82 Ca 0.24 1.17 0.03 0.00 -2.93 0.00 0.00 61.98 60.48 1mvg s VAL 82 Cb -0.11 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 1mvg s VAL 82 CO -0.09 -0.24 -0.08 -2.28 -3.33 0.00 0.00 175.10 169.07 1mvg s HIS 83 N -2.00 0.95 -0.32 1.54 2.46 -0.25 -1.09 115.29 116.59 1mvg s HIS 83 Ca 0.66 -0.78 -0.07 0.00 0.47 0.00 0.00 55.06 55.34 1mvg s HIS 83 Cb -0.15 -0.53 0.02 0.00 -0.13 0.00 0.00 32.58 31.78 1mvg s HIS 83 CO 0.19 -0.08 0.11 -1.17 -2.47 0.00 0.00 174.74 171.32 1mvg s LEU 84 N -2.75 4.15 -0.05 8.88 0.20 -1.26 -1.12 118.68 126.73 1mvg s LEU 84 Ca 0.08 -0.92 -0.03 0.00 0.69 0.00 0.00 54.13 53.96 1mvg s LEU 84 Cb 0.01 -1.89 -0.01 0.00 -0.43 0.00 0.00 46.19 43.87 1mvg s LEU 84 CO -0.02 -0.27 -0.06 0.00 -0.29 0.00 0.00 176.35 175.71 1mvg h ALA 85 N 8.25 0.00 -0.92 5.97 0.00 -1.72 -3.48 119.26 127.37 1mvg h ALA 85 Ca -0.27 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1mvg h ALA 85 Cb 1.11 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1mvg h ALA 85 CO 0.61 0.16 -0.44 1.21 0.00 0.00 0.00 179.25 180.79 1mvg s ASN 86 N -4.27 -1.36 -1.55 0.00 2.47 -1.26 -4.92 114.94 104.04 1mvg s ASN 86 Ca -0.05 -1.26 -0.05 0.00 0.42 0.00 0.00 52.86 51.93 1mvg s ASN 86 Cb 0.01 1.77 0.01 0.00 -1.45 0.00 0.00 41.25 41.58 1mvg s ASN 86 CO 0.07 -0.09 0.59 0.61 -3.72 0.00 0.00 177.10 174.56 1mvg n GLY 87 N 3.45 -0.52 3.62 1.21 0.00 -1.26 -4.98 105.19 106.71 1mvg n GLY 87 Ca 0.15 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1mvg n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mvg s LYS 88 N -5.71 0.80 0.05 1.61 -2.85 -1.26 -3.28 119.74 109.11 1mvg s LYS 88 Ca 0.30 0.83 -0.26 0.00 -1.00 0.00 0.00 55.97 55.84 1mvg s LYS 88 Cb -0.14 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 1mvg s LYS 88 CO 0.37 -0.12 0.82 -0.51 0.10 0.00 0.00 175.35 176.01 1mvg s LEU 89 N 0.14 4.44 -0.02 2.77 1.02 -0.08 -1.77 118.68 125.18 1mvg s LEU 89 Ca -0.01 1.53 0.03 0.00 0.02 0.00 0.00 54.13 55.69 1mvg s LEU 89 Cb -0.04 -3.33 0.00 0.00 0.02 0.00 0.00 46.19 42.84 1mvg s LEU 89 CO 0.01 -0.03 -0.09 0.54 0.02 0.00 0.00 176.35 176.79 1mvg s VAL 90 N 0.10 0.80 -0.02 -1.59 0.11 -0.28 -1.45 120.40 118.08 1mvg s VAL 90 Ca 0.41 -0.38 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1mvg s VAL 90 Cb -0.21 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1mvg s VAL 90 CO 0.25 0.25 0.27 -0.89 -3.33 0.00 0.00 175.10 171.64 1mvg s THR 91 N 0.10 0.06 0.04 5.04 2.01 0.50 -1.09 115.64 122.29 1mvg s THR 91 Ca -0.02 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.45 1mvg s THR 91 Cb -0.08 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 1mvg s THR 91 CO 0.00 -0.25 0.13 -0.54 -0.69 0.00 0.00 174.62 173.28 1mvg s LYS 92 N -1.14 0.62 0.09 4.92 1.02 -1.26 -2.10 119.74 121.89 1mvg s LYS 92 Ca -0.12 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1mvg s LYS 92 Cb -0.05 0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1mvg s LYS 92 CO 0.03 -0.16 0.11 0.45 -0.92 0.00 0.00 175.35 174.86 1mvg n SER 93 N 0.78 -0.30 0.30 2.83 2.88 0.21 -4.35 113.62 115.97 1mvg n SER 93 Ca -0.19 -1.51 -0.16 0.00 -1.33 0.00 0.00 58.87 55.68 1mvg n SER 93 Cb 0.58 0.58 -0.08 0.00 -0.75 0.00 0.00 64.21 64.54 1mvg n SER 93 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1mvg h GLU 94 N 0.00 -0.73 0.03 -1.46 5.08 -2.02 -3.37 114.58 112.11 1mvg h GLU 94 Ca -0.07 0.05 -0.37 0.00 -1.00 0.00 0.00 59.36 57.97 1mvg h GLU 94 Cb 0.31 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1mvg h GLU 94 CO 0.09 -0.43 -2.27 1.17 -1.00 0.00 0.00 179.01 176.57 1mvg n LYS 95 N -5.36 0.68 -3.93 2.33 4.81 -1.26 -5.01 118.16 110.43 1mvg n LYS 95 Ca -0.12 0.16 -0.24 0.00 -0.87 0.00 0.00 58.31 57.23 1mvg n LYS 95 Cb 0.33 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.76 1mvg n LYS 95 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1mvg s PHE 96 N -2.53 3.47 0.05 5.64 5.36 -1.26 -1.33 117.98 127.39 1mvg s PHE 96 Ca -0.24 0.09 -0.10 0.00 -0.96 0.00 0.00 56.93 55.72 1mvg s PHE 96 Cb 0.08 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 41.12 1mvg s PHE 96 CO 0.71 0.48 0.21 0.45 -1.46 0.00 0.00 175.22 175.61 1mvg s SER 97 N -3.49 0.03 -0.21 6.13 0.15 -0.27 -0.62 113.70 115.41 1mvg s SER 97 Ca 0.35 -0.41 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 1mvg s SER 97 Cb -0.10 0.31 0.07 0.00 -1.71 0.00 0.00 66.02 64.59 1mvg s SER 97 CO 0.29 -0.61 0.49 -2.28 1.20 0.00 0.00 173.24 172.33 1mvg s HIS 98 N -2.91 -0.79 -0.13 3.44 5.04 -0.89 -1.17 115.29 117.88 1mvg s HIS 98 Ca -0.02 1.59 -0.05 0.00 -1.54 0.00 0.00 55.06 55.04 1mvg s HIS 98 Cb 0.01 0.39 0.06 0.00 0.04 0.00 0.00 32.58 33.08 1mvg s HIS 98 CO -0.06 -0.43 0.27 -2.00 -2.34 0.00 0.00 174.74 170.19 1mvg s GLU 99 N 1.72 0.16 -0.09 2.88 -6.30 -0.30 -0.37 118.70 116.41 1mvg s GLU 99 Ca -0.08 0.75 0.04 0.00 -2.50 0.00 0.00 54.97 53.18 1mvg s GLU 99 Cb -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 34.13 34.03 1mvg s GLU 99 CO -0.15 -0.27 -0.23 -0.65 0.02 0.00 0.00 175.26 173.98 1mvg s GLN 100 N 2.33 2.78 -0.10 4.30 1.11 -0.53 -0.87 119.66 128.68 1mvg s GLN 100 Ca 0.00 -0.82 0.04 0.00 0.01 0.00 0.00 55.36 54.59 1mvg s GLN 100 Cb -0.12 -2.15 0.00 0.00 -1.01 0.00 0.00 33.01 29.73 1mvg s GLN 100 CO -0.09 0.20 -0.23 -1.21 0.01 0.00 0.00 175.29 173.97 1mvg s GLU 101 N 0.28 2.99 0.05 2.91 0.41 -0.06 -0.90 118.70 124.38 1mvg s GLU 101 Ca -0.15 -0.86 0.09 0.00 -0.41 0.00 0.00 54.97 53.64 1mvg s GLU 101 Cb -0.17 -2.26 -0.03 0.00 -1.78 0.00 0.00 34.13 29.89 1mvg s GLU 101 CO 0.07 0.17 -0.26 0.08 -0.49 0.00 0.00 175.26 174.84 1mvg s VAL 102 N 0.36 2.10 0.22 2.63 1.01 -1.20 -0.88 120.40 124.63 1mvg s VAL 102 Ca -0.19 -1.40 0.04 0.00 0.00 0.00 0.00 61.98 60.44 1mvg s VAL 102 Cb -0.18 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1mvg s VAL 102 CO 0.09 0.33 0.15 1.17 0.00 0.00 0.00 175.10 176.84 1mvg n LYS 103 N 1.72 0.40 0.15 2.72 3.00 0.26 -4.87 118.16 121.53 1mvg n LYS 103 Ca -0.17 -2.11 -0.15 0.00 -0.00 0.00 0.00 58.31 55.88 1mvg n LYS 103 Cb 0.52 1.55 -0.09 0.00 0.00 0.00 0.00 35.03 37.01 1mvg n LYS 103 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1mvg h GLY 104 N 1.20 -1.18 -2.45 3.14 0.00 -2.02 -3.31 103.07 98.44 1mvg h GLY 104 Ca -0.16 0.61 -0.15 0.00 0.00 0.00 0.00 47.33 47.63 1mvg h GLY 104 CO 0.25 -0.31 -0.80 1.16 0.00 0.00 0.00 176.54 176.83 1mvg n ASN 105 N -5.10 1.75 -3.53 0.19 6.94 -1.26 -4.90 115.26 109.34 1mvg n ASN 105 Ca -0.08 -2.98 -0.18 0.00 -0.02 0.00 0.00 54.58 51.32 1mvg n ASN 105 Cb 0.37 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 37.32 1mvg n ASN 105 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1mvg s GLU 106 N -2.08 1.04 -0.08 -3.83 2.56 -1.25 -3.78 118.70 111.29 1mvg s GLU 106 Ca 0.37 0.23 -0.05 0.00 0.00 0.00 0.00 54.97 55.52 1mvg s GLU 106 Cb 0.38 0.49 0.03 0.00 2.00 0.00 0.00 34.13 37.03 1mvg s GLU 106 CO -0.09 -0.33 0.19 1.41 -0.56 0.00 0.00 175.26 175.88 1mvg s MET 107 N -1.22 0.17 -0.07 4.30 -2.45 -0.14 -0.58 119.30 119.31 1mvg s MET 107 Ca -0.11 0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.70 1mvg s MET 107 Cb -0.00 -0.04 -0.03 0.00 1.25 0.00 0.00 34.83 36.01 1mvg s MET 107 CO 0.09 -0.10 -0.08 0.08 1.05 0.00 0.00 175.02 176.06 1mvg s VAL 108 N 0.70 3.57 -0.02 10.11 1.01 -0.06 -0.91 120.40 134.80 1mvg s VAL 108 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1mvg s VAL 108 Cb -0.07 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1mvg s VAL 108 CO -0.04 0.59 -0.06 -1.61 0.00 0.00 0.00 175.10 173.98 1mvg s GLU 109 N -0.70 0.63 -0.06 2.72 2.02 0.07 -0.88 118.70 122.50 1mvg s GLU 109 Ca 0.11 -0.21 -0.03 0.00 0.02 0.00 0.00 54.97 54.86 1mvg s GLU 109 Cb -0.11 -0.62 0.03 0.00 0.10 0.00 0.00 34.13 33.53 1mvg s GLU 109 CO 0.01 0.08 0.13 0.99 0.02 0.00 0.00 175.26 176.50 1mvg s THR 110 N 0.14 -0.03 0.12 3.63 2.01 -0.05 -1.32 115.64 120.13 1mvg s THR 110 Ca -0.02 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1mvg s THR 110 Cb -0.06 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 1mvg s THR 110 CO -0.00 0.05 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.18 1mvg s ILE 111 N 0.81 1.50 -0.01 1.82 -1.09 -0.66 -1.15 121.20 122.42 1mvg s ILE 111 Ca -0.06 -1.64 0.01 0.00 -2.23 0.00 0.00 60.65 56.73 1mvg s ILE 111 Cb -0.08 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 39.28 1mvg s ILE 111 CO -0.04 -0.26 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.48 1mvg s THR 112 N -1.70 0.35 -0.36 2.92 2.01 -0.32 -0.86 115.64 117.68 1mvg s THR 112 Ca 0.08 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1mvg s THR 112 Cb -0.07 -0.33 0.12 0.00 0.01 0.00 0.00 72.50 72.23 1mvg s THR 112 CO 0.04 0.12 0.16 0.12 -0.69 0.00 0.00 174.62 174.38 1mvg s PHE 113 N 0.17 1.53 0.00 4.92 2.19 -0.22 -1.12 117.98 125.46 1mvg s PHE 113 Ca -0.02 -1.88 0.00 0.00 0.33 0.00 0.00 56.93 55.36 1mvg s PHE 113 Cb -0.05 -1.58 0.00 0.00 -1.31 0.00 0.00 43.02 40.08 1mvg s PHE 113 CO -0.00 -0.84 0.00 0.41 1.83 0.00 0.00 175.22 176.62 1mvg n GLY 114 N 4.32 3.89 1.61 13.12 0.00 -0.44 -1.99 105.19 125.69 1mvg n GLY 114 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1mvg n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mvg n GLY 115 N 0.00 3.05 3.22 -0.02 0.00 -1.26 -4.80 105.19 105.38 1mvg n GLY 115 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1mvg n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mvg s VAL 116 N -2.17 1.78 0.06 1.61 1.01 -0.84 -5.15 120.40 116.70 1mvg s VAL 116 Ca 0.37 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1mvg s VAL 116 Cb 0.30 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1mvg s VAL 116 CO 0.09 0.50 -0.25 -0.89 0.00 0.00 0.00 175.10 174.56 1mvg s THR 117 N -0.21 2.00 -0.08 3.92 2.01 -1.26 -1.06 115.64 120.95 1mvg s THR 117 Ca 0.00 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.66 1mvg s THR 117 Cb -0.12 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.67 1mvg s THR 117 CO 0.02 0.28 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.25 1mvg s LEU 118 N -1.33 2.00 -0.04 4.42 1.02 -0.04 -4.64 118.68 120.07 1mvg s LEU 118 Ca 0.11 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.81 1mvg s LEU 118 Cb -0.10 -1.27 -0.01 0.00 0.02 0.00 0.00 46.19 44.84 1mvg s LEU 118 CO 0.02 0.16 -0.18 0.27 0.02 0.00 0.00 176.35 176.64 1mvg s ILE 119 N 0.26 1.48 0.33 -0.59 -5.25 -0.72 -1.66 121.20 115.05 1mvg s ILE 119 Ca -0.14 -0.75 -0.15 0.00 -0.99 0.00 0.00 60.65 58.62 1mvg s ILE 119 Cb -0.16 -1.26 0.03 0.00 2.95 0.00 0.00 42.46 44.02 1mvg s ILE 119 CO 0.06 0.42 0.68 0.00 -1.79 0.00 0.00 174.94 174.32 1mvg s ARG 120 N -0.05 1.96 -0.03 0.37 1.70 -0.44 -0.76 118.95 121.71 1mvg s ARG 120 Ca -0.02 -1.33 -0.27 0.00 -0.47 0.00 0.00 55.73 53.64 1mvg s ARG 120 Cb -0.11 0.57 0.06 0.00 -0.57 0.00 0.00 34.95 34.90 1mvg s ARG 120 CO 0.02 -0.89 0.59 -0.98 -1.08 0.00 0.00 175.30 172.96 1mvg s ARG 121 N -3.14 0.99 0.19 3.89 1.70 -0.47 -0.75 118.95 121.36 1mvg s ARG 121 Ca 0.17 0.10 0.04 0.00 -0.47 0.00 0.00 55.73 55.58 1mvg s ARG 121 Cb -0.04 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1mvg s ARG 121 CO 0.11 -0.31 -0.07 -1.12 -1.08 0.00 0.00 175.30 172.83 1mvg s SER 122 N -1.35 1.90 -0.02 -2.89 0.01 -0.09 -0.72 113.70 110.54 1mvg s SER 122 Ca -0.11 -1.10 0.07 0.00 1.31 0.00 0.00 55.95 56.12 1mvg s SER 122 Cb -0.01 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1mvg s SER 122 CO 0.07 -0.39 -0.22 -0.75 0.41 0.00 0.00 173.24 172.36 1mvg s LYS 123 N -3.78 1.86 0.50 12.44 2.20 -0.36 -0.97 119.74 131.63 1mvg s LYS 123 Ca 0.22 -0.80 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 1mvg s LYS 123 Cb 0.04 -1.78 -0.07 0.00 -1.51 0.00 0.00 37.83 34.51 1mvg s LYS 123 CO 0.05 0.47 1.12 0.50 -0.36 0.00 0.00 175.35 177.13 1mvg s ARG 124 N -0.49 3.60 0.00 4.03 3.52 -1.25 -1.34 118.95 127.02 1mvg s ARG 124 Ca 0.08 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 1mvg s ARG 124 Cb -0.09 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1mvg s ARG 124 CO -0.01 -0.65 0.46 0.28 -0.81 0.00 0.00 175.30 174.58