#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvg h PHE 2 N 0.00 0.48 -2.29 0.00 -1.00 -1.98 -3.44 116.94 108.72 1mvg h PHE 2 Ca 0.00 -0.05 -0.62 0.00 2.81 0.00 0.00 57.97 60.11 1mvg h PHE 2 Cb 0.00 -0.14 0.08 0.00 3.61 0.00 0.00 35.95 39.51 1mvg h PHE 2 CO 0.00 0.52 0.39 -1.13 -1.61 0.00 0.00 178.31 176.48 1mvg n SER 3 N -4.27 1.90 0.00 2.17 3.41 -1.26 -4.72 113.62 110.86 1mvg n SER 3 Ca 0.01 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1mvg n SER 3 Cb 0.26 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1mvg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mvg n GLY 4 N 1.98 -1.37 3.32 5.00 0.00 -0.69 -4.97 105.19 108.47 1mvg n GLY 4 Ca 0.13 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.89 2.00 0.10 2.61 2.01 -1.26 -0.98 115.64 117.24 1mvg s THR 5 Ca 0.00 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 60.51 1mvg s THR 5 Cb 0.00 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1mvg s THR 5 CO 0.00 0.23 0.16 0.26 -0.69 0.00 0.00 174.62 174.58 1mvg s TRP 6 N -0.88 0.36 -0.06 4.92 0.52 -0.02 -1.33 118.94 122.45 1mvg s TRP 6 Ca 0.11 -0.79 -0.00 0.00 0.02 0.00 0.00 56.10 55.43 1mvg s TRP 6 Cb -0.10 -0.17 0.03 0.00 -1.15 0.00 0.00 33.47 32.08 1mvg s TRP 6 CO 0.03 -0.55 -0.01 -0.65 0.02 0.00 0.00 176.95 175.78 1mvg s GLN 7 N -3.92 0.64 0.30 4.98 -1.52 -0.28 -1.27 119.66 118.59 1mvg s GLN 7 Ca 0.11 0.04 -0.29 0.00 -1.95 0.00 0.00 55.36 53.27 1mvg s GLN 7 Cb 0.05 -0.88 -0.13 0.00 -0.22 0.00 0.00 33.01 31.84 1mvg s GLN 7 CO -0.07 -0.22 1.36 0.28 -0.25 0.00 0.00 175.29 176.39 1mvg n VAL 8 N 4.72 1.53 0.00 1.09 0.31 -1.22 -0.73 118.33 124.02 1mvg n VAL 8 Ca -0.14 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1mvg n VAL 8 Cb 0.50 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1mvg n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mvg n TYR 9 N 1.08 0.00 -4.64 3.52 4.11 -0.54 -4.79 117.16 115.89 1mvg n TYR 9 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.69 1mvg n TYR 9 Cb 0.34 0.02 -0.14 0.00 -0.00 0.00 0.00 39.34 39.57 1mvg n TYR 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1mvg s ALA 10 N -1.92 2.20 -0.13 -3.48 0.00 -1.00 -5.03 121.76 112.40 1mvg s ALA 10 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 1mvg s ALA 10 Cb 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.75 1mvg s ALA 10 CO 0.00 0.50 0.33 -0.65 0.00 0.00 0.00 175.76 175.95 1mvg s GLN 11 N -1.58 0.37 -0.15 0.00 -1.52 -1.26 -1.36 119.66 114.15 1mvg s GLN 11 Ca 0.12 0.50 -0.14 0.00 -1.95 0.00 0.00 55.36 53.89 1mvg s GLN 11 Cb -0.10 0.14 0.04 0.00 -0.22 0.00 0.00 33.01 32.88 1mvg s GLN 11 CO 0.04 -0.07 0.41 -2.00 -0.25 0.00 0.00 175.29 173.42 1mvg s GLU 12 N 0.39 0.48 -1.44 2.91 2.12 -0.66 -4.91 118.70 117.58 1mvg s GLU 12 Ca -0.02 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.89 1mvg s GLU 12 Cb -0.04 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1mvg s GLU 12 CO -0.02 -0.06 0.00 -1.71 -0.54 0.00 0.00 175.26 172.93 1mvg n ASN 13 N 2.91 -4.83 -0.07 -1.70 5.15 -1.26 -1.87 115.26 113.59 1mvg n ASN 13 Ca -0.14 0.06 -0.13 0.00 -0.60 0.00 0.00 54.58 53.77 1mvg n ASN 13 Cb 0.57 -3.91 -0.12 0.00 -0.53 0.00 0.00 39.78 35.78 1mvg n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1mvg h TYR 14 N 0.00 -0.00 -0.96 1.20 3.20 -1.90 -3.30 116.97 115.21 1mvg h TYR 14 Ca -0.37 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.63 1mvg h TYR 14 Cb 1.24 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.43 1mvg h TYR 14 CO 0.43 0.94 0.61 1.05 -1.64 0.00 0.00 178.16 179.55 1mvg h GLU 15 N -1.00 0.82 0.11 1.82 -0.00 -1.94 -0.55 114.58 113.85 1mvg h GLU 15 Ca -0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 59.36 59.32 1mvg h GLU 15 Cb 0.94 -0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 29.49 1mvg h GLU 15 CO 0.00 0.54 -0.15 0.93 -0.00 0.00 0.00 179.01 180.33 1mvg h GLU 16 N 0.84 -0.30 -0.30 1.06 4.39 -1.95 -2.29 114.58 116.03 1mvg h GLU 16 Ca 0.49 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.20 1mvg h GLU 16 Cb 0.64 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1mvg h GLU 16 CO -0.25 -0.20 0.18 0.35 -1.16 0.00 0.00 179.01 177.92 1mvg h PHE 17 N -0.31 0.40 -0.82 4.33 3.57 -1.23 -0.38 116.94 122.51 1mvg h PHE 17 Ca 0.01 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1mvg h PHE 17 Cb 0.31 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 1mvg h PHE 17 CO -0.15 0.31 0.48 -0.07 -2.23 0.00 0.00 178.31 176.65 1mvg h LEU 18 N 0.38 0.70 -0.75 0.59 3.38 -1.19 0.93 115.31 119.35 1mvg h LEU 18 Ca 0.11 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1mvg h LEU 18 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1mvg h LEU 18 CO -0.02 0.41 -0.01 0.11 0.09 0.00 0.00 178.44 179.02 1mvg h LYS 19 N 0.82 0.94 0.00 1.13 1.57 -1.02 -2.62 116.57 117.38 1mvg h LYS 19 Ca 0.39 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1mvg h LYS 19 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1mvg h LYS 19 CO -0.23 0.94 -0.11 0.00 -0.57 0.00 0.00 179.45 179.48 1mvg h ALA 20 N 1.11 1.13 -0.54 3.86 0.00 0.40 -3.32 119.26 121.89 1mvg h ALA 20 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1mvg h ALA 20 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mvg h ALA 20 CO 0.03 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1mvg n LEU 21 N -3.41 0.24 0.03 0.00 4.77 0.17 -5.01 117.00 113.79 1mvg n LEU 21 Ca -0.01 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1mvg n LEU 21 Cb 0.29 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1mvg n LEU 21 CO 0.29 -0.41 0.00 0.00 -1.33 0.00 0.00 177.39 175.94 1mvg n ALA 22 N -1.73 0.00 -1.64 -1.18 0.00 -1.22 -5.12 120.51 109.62 1mvg n ALA 22 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1mvg n ALA 22 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1mvg n ALA 22 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1mvg n LEU 23 N -2.59 2.64 -4.84 0.00 -0.00 -1.26 -4.95 117.00 106.01 1mvg n LEU 23 Ca 0.00 1.14 -0.29 0.00 -0.00 0.00 0.00 56.01 56.86 1mvg n LEU 23 Cb 0.00 -1.37 0.10 0.00 -0.00 0.00 0.00 43.42 42.15 1mvg n LEU 23 CO 0.00 -0.74 0.74 -2.16 -0.00 0.00 0.00 177.39 175.23 1mvg s PRO 24 N -0.46 1.82 0.42 1.47 0.04 -1.26 -4.46 135.00 132.56 1mvg s PRO 24 Ca 0.69 0.34 0.19 0.00 0.04 0.00 0.00 61.00 62.26 1mvg s PRO 24 Cb -0.70 -1.91 1.12 0.00 0.04 0.00 0.00 34.50 33.04 1mvg s PRO 24 CO 0.51 -1.74 1.81 1.05 0.04 0.00 0.00 177.00 178.67 1mvg h GLU 25 N -1.17 0.37 -0.62 4.56 4.11 -1.97 0.11 114.58 119.97 1mvg h GLU 25 Ca -0.48 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 1mvg h GLU 25 Cb 1.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1mvg h GLU 25 CO 0.63 0.24 0.31 0.22 0.07 0.00 0.00 179.01 180.48 1mvg h ASP 26 N 0.38 0.79 0.51 3.06 3.58 -2.01 -1.56 116.42 121.17 1mvg h ASP 26 Ca 0.53 -0.08 -0.29 0.00 0.42 0.00 0.00 57.03 57.61 1mvg h ASP 26 Cb 1.38 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.20 1mvg h ASP 26 CO -0.22 0.66 -1.59 -0.07 -2.88 0.00 0.00 179.24 175.15 1mvg h LEU 27 N 0.88 0.18 -1.27 2.28 3.38 -1.19 -3.34 115.31 116.23 1mvg h LEU 27 Ca 0.22 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1mvg h LEU 27 Cb 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1mvg h LEU 27 CO -0.03 1.26 0.15 0.16 0.09 0.00 0.00 178.44 180.07 1mvg h ILE 28 N 0.03 1.18 -0.86 1.22 -0.00 -1.02 -1.25 117.51 116.82 1mvg h ILE 28 Ca -0.25 -0.60 0.22 0.00 -0.00 0.00 0.00 64.86 64.23 1mvg h ILE 28 Cb 1.98 0.67 -0.13 0.00 -0.00 0.00 0.00 36.82 39.34 1mvg h ILE 28 CO 0.11 0.23 0.27 0.50 -0.00 0.00 0.00 178.15 179.26 1mvg h LYS 29 N 0.65 0.27 0.00 0.16 3.64 -1.40 0.11 116.57 119.99 1mvg h LYS 29 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1mvg h LYS 29 Cb 0.17 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1mvg h LYS 29 CO -0.01 0.18 0.00 1.98 -2.27 0.00 0.00 179.45 179.33 1mvg h MET 30 N 0.28 0.00 0.00 1.90 4.05 -1.35 -2.88 114.93 116.92 1mvg h MET 30 Ca 0.53 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.58 1mvg h MET 30 Cb 1.02 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.75 1mvg h MET 30 CO -0.59 0.00 -2.38 0.00 0.23 0.00 0.00 176.91 174.17 1mvg n ALA 31 N -1.89 1.49 -0.38 0.39 0.00 -0.57 -4.60 120.51 114.96 1mvg n ALA 31 Ca 0.02 -1.19 -0.07 0.00 0.00 0.00 0.00 53.44 52.20 1mvg n ALA 31 Cb 0.28 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 1mvg n ALA 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1mvg h ARG 32 N 0.00 -0.04 -0.46 0.00 1.12 -0.60 -2.00 114.38 112.40 1mvg h ARG 32 Ca -0.54 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.00 1mvg h ARG 32 Cb 2.04 0.01 -0.24 0.00 -0.01 0.00 0.00 29.97 31.77 1mvg h ARG 32 CO -0.03 -0.03 -0.54 -3.47 -3.11 0.00 0.00 179.97 172.80 1mvg n ASP 33 N -5.35 3.68 -4.18 -3.80 2.03 -1.26 -4.92 116.55 102.75 1mvg n ASP 33 Ca 0.05 -3.81 -0.33 0.00 0.52 0.00 0.00 54.79 51.21 1mvg n ASP 33 Cb 0.32 -0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 40.09 1mvg n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mvg s ILE 34 N -3.99 2.29 -0.42 5.18 1.09 -0.75 -5.10 121.20 119.50 1mvg s ILE 34 Ca 0.47 -0.88 -0.04 0.00 -1.10 0.00 0.00 60.65 59.10 1mvg s ILE 34 Cb 0.40 -1.96 0.11 0.00 -1.06 0.00 0.00 42.46 39.96 1mvg s ILE 34 CO -0.01 0.53 0.22 -1.59 -0.10 0.00 0.00 174.94 174.00 1mvg s LYS 35 N 1.06 2.07 0.77 2.79 -2.85 -1.26 -4.91 119.74 117.42 1mvg s LYS 35 Ca -0.01 -1.81 -0.12 0.00 -1.00 0.00 0.00 55.97 53.03 1mvg s LYS 35 Cb -0.14 -3.63 0.05 0.00 -2.06 0.00 0.00 37.83 32.05 1mvg s LYS 35 CO -0.06 -1.09 1.13 -1.25 0.10 0.00 0.00 175.35 174.17 1mvg s PRO 36 N 1.17 2.31 0.35 1.78 0.04 -1.26 -4.71 135.00 134.68 1mvg s PRO 36 Ca 0.08 0.37 -0.28 0.00 0.04 0.00 0.00 61.00 61.21 1mvg s PRO 36 Cb -0.23 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1mvg s PRO 36 CO -0.04 -1.40 1.26 0.42 0.04 0.00 0.00 177.00 177.28 1mvg s ILE 37 N -3.38 2.87 0.07 0.56 -1.09 -0.53 -3.39 121.20 116.30 1mvg s ILE 37 Ca 0.60 0.84 0.08 0.00 -2.23 0.00 0.00 60.65 59.94 1mvg s ILE 37 Cb -0.12 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1mvg s ILE 37 CO 0.51 0.17 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.50 1mvg s VAL 38 N -1.20 1.66 -0.13 2.92 1.01 -0.40 -1.29 120.40 122.97 1mvg s VAL 38 Ca 0.51 -1.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1mvg s VAL 38 Cb -0.37 -1.48 0.05 0.00 0.00 0.00 0.00 36.38 34.59 1mvg s VAL 38 CO 0.49 0.08 0.31 -0.70 0.00 0.00 0.00 175.10 175.28 1mvg s GLU 39 N -1.49 0.27 -0.01 2.72 2.12 0.17 -0.84 118.70 121.65 1mvg s GLU 39 Ca 0.07 0.66 0.03 0.00 0.36 0.00 0.00 54.97 56.08 1mvg s GLU 39 Cb -0.09 -0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.20 1mvg s GLU 39 CO 0.03 -0.18 -0.06 0.42 -0.54 0.00 0.00 175.26 174.93 1mvg s ILE 40 N 1.49 3.70 -0.41 -3.70 -1.09 -0.15 -0.92 121.20 120.11 1mvg s ILE 40 Ca -0.08 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 57.68 1mvg s ILE 40 Cb -0.10 -2.59 0.19 0.00 -1.58 0.00 0.00 42.46 38.38 1mvg s ILE 40 CO -0.10 0.43 0.42 1.67 -1.23 0.00 0.00 174.94 176.13 1mvg n GLN 41 N 1.66 0.36 -2.78 2.79 7.27 0.53 -1.70 117.38 125.50 1mvg n GLN 41 Ca -0.16 -3.08 -0.42 0.00 0.07 0.00 0.00 57.00 53.41 1mvg n GLN 41 Cb 0.53 -1.53 -0.03 0.00 2.41 0.00 0.00 30.24 31.61 1mvg n GLN 41 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1mvg s GLN 42 N -0.21 4.50 -0.62 3.69 0.74 -1.26 -1.55 119.66 124.94 1mvg s GLN 42 Ca 0.33 1.29 0.05 0.00 0.05 0.00 0.00 55.36 57.08 1mvg s GLN 42 Cb 0.08 -3.48 0.17 0.00 1.10 0.00 0.00 33.01 30.88 1mvg s GLN 42 CO -0.17 -0.08 0.46 1.63 -0.55 0.00 0.00 175.29 176.58 1mvg n LYS 43 N 4.12 1.37 0.00 1.67 4.01 -0.92 -4.63 118.16 123.78 1mvg n LYS 43 Ca 0.05 -4.11 0.00 0.00 -0.51 0.00 0.00 58.31 53.74 1mvg n LYS 43 Cb 0.51 -2.10 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 1mvg n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mvg n GLY 44 N 2.17 2.28 0.26 0.72 0.00 -1.26 -3.77 105.19 105.59 1mvg n GLY 44 Ca 0.23 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1mvg n GLY 44 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1mvg h ASP 45 N 0.00 0.95 -3.69 1.61 2.03 -1.98 -3.44 116.42 111.92 1mvg h ASP 45 Ca 0.00 -0.43 -0.51 0.00 -0.73 0.00 0.00 57.03 55.36 1mvg h ASP 45 Cb 0.00 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.23 1mvg h ASP 45 CO 0.00 1.18 0.43 1.51 -1.03 0.00 0.00 179.24 181.33 1mvg s ASP 46 N -6.70 7.39 -0.15 4.15 1.47 -1.25 -2.27 116.67 119.31 1mvg s ASP 46 Ca -0.12 2.08 -0.00 0.00 1.18 0.00 0.00 52.55 55.69 1mvg s ASP 46 Cb 0.11 -2.61 0.03 0.00 -0.34 0.00 0.00 42.92 40.11 1mvg s ASP 46 CO 0.86 -0.08 -0.08 -0.36 0.68 0.00 0.00 175.17 176.19 1mvg s PHE 47 N -0.74 1.85 -0.18 2.11 0.40 -0.23 -2.17 117.98 119.02 1mvg s PHE 47 Ca 0.45 -1.10 -0.04 0.00 -0.60 0.00 0.00 56.93 55.64 1mvg s PHE 47 Cb -0.29 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 1mvg s PHE 47 CO 0.36 -0.62 -0.04 0.08 0.70 0.00 0.00 175.22 175.70 1mvg s VAL 48 N 1.59 3.71 -0.00 -0.44 1.01 -0.60 -1.88 120.40 123.79 1mvg s VAL 48 Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1mvg s VAL 48 Cb -0.14 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1mvg s VAL 48 CO -0.09 0.46 -0.23 -0.69 0.00 0.00 0.00 175.10 174.56 1mvg s VAL 49 N 0.79 2.38 0.02 2.92 1.01 -0.27 -0.35 120.40 126.91 1mvg s VAL 49 Ca -0.01 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1mvg s VAL 49 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1mvg s VAL 49 CO 0.02 0.51 0.03 -0.89 0.00 0.00 0.00 175.10 174.77 1mvg s THR 50 N -0.72 0.12 -0.07 3.92 2.01 -0.10 -1.14 115.64 119.66 1mvg s THR 50 Ca 0.11 -1.02 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1mvg s THR 50 Cb -0.10 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1mvg s THR 50 CO 0.01 -0.56 0.27 -0.94 -0.69 0.00 0.00 174.62 172.71 1mvg s SER 51 N -1.79 -0.24 -0.03 3.53 1.04 -0.09 -0.65 113.70 115.47 1mvg s SER 51 Ca -0.10 0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.75 1mvg s SER 51 Cb -0.05 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1mvg s SER 51 CO -0.02 -0.21 -0.18 -0.75 0.98 0.00 0.00 173.24 173.06 1mvg s LYS 52 N -0.35 1.70 0.35 4.02 2.20 -0.41 -1.26 119.74 125.99 1mvg s LYS 52 Ca -0.05 -0.63 0.06 0.00 -0.36 0.00 0.00 55.97 54.99 1mvg s LYS 52 Cb -0.03 -1.53 -0.07 0.00 -1.51 0.00 0.00 37.83 34.69 1mvg s LYS 52 CO 0.01 0.30 0.01 0.95 -0.36 0.00 0.00 175.35 176.27 1mvg s THR 53 N -0.13 1.60 0.25 3.43 -4.23 -0.03 -1.46 115.64 115.08 1mvg s THR 53 Ca -0.00 -2.03 0.23 0.00 -1.18 0.00 0.00 61.69 58.71 1mvg s THR 53 Cb -0.10 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.18 1mvg s THR 53 CO 0.01 -0.07 1.89 1.55 -0.54 0.00 0.00 174.62 177.47 1mvg h PRO 54 N 2.03 0.00 -0.16 3.99 0.13 -2.01 -3.26 132.00 132.72 1mvg h PRO 54 Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 1mvg h PRO 54 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 1mvg h PRO 54 CO 0.73 0.23 -1.03 0.54 -0.23 0.00 0.00 178.00 178.24 1mvg n ARG 55 N -3.55 0.78 -3.73 0.86 1.74 -1.26 -5.10 116.66 106.40 1mvg n ARG 55 Ca -0.01 -2.64 0.02 0.00 -0.77 0.00 0.00 57.85 54.46 1mvg n ARG 55 Cb 0.38 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 1mvg n ARG 55 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1mvg s GLN 56 N -1.55 0.31 -0.17 5.56 0.74 -1.23 -5.19 119.66 118.13 1mvg s GLN 56 Ca 0.33 -0.18 -0.30 0.00 0.05 0.00 0.00 55.36 55.25 1mvg s GLN 56 Cb 0.37 0.10 0.14 0.00 1.10 0.00 0.00 33.01 34.71 1mvg s GLN 56 CO -0.11 -0.14 1.06 -0.08 -0.55 0.00 0.00 175.29 175.46 1mvg s THR 57 N -2.21 0.00 -0.01 -0.34 -1.32 -1.26 -0.85 115.64 109.64 1mvg s THR 57 Ca 0.19 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.60 1mvg s THR 57 Cb 0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1mvg s THR 57 CO -0.03 0.00 0.14 -0.69 -2.21 0.00 0.00 174.62 171.82 1mvg s VAL 58 N -1.34 0.07 0.06 5.08 1.01 -0.39 -5.00 120.40 119.89 1mvg s VAL 58 Ca 0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1mvg s VAL 58 Cb -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1mvg s VAL 58 CO -0.01 -0.32 0.19 0.28 0.00 0.00 0.00 175.10 175.24 1mvg s THR 59 N -1.16 0.12 -0.09 3.92 -1.32 -1.26 -0.91 115.64 114.93 1mvg s THR 59 Ca -0.13 -1.01 -0.15 0.00 -1.21 0.00 0.00 61.69 59.20 1mvg s THR 59 Cb -0.07 -1.08 0.03 0.00 -1.51 0.00 0.00 72.50 69.87 1mvg s THR 59 CO 0.01 -0.56 0.37 0.54 -2.21 0.00 0.00 174.62 172.78 1mvg s ASN 60 N -2.40 -0.34 -0.06 8.08 4.22 -0.30 -4.89 114.94 119.26 1mvg s ASN 60 Ca -0.01 0.53 0.02 0.00 -2.14 0.00 0.00 52.86 51.26 1mvg s ASN 60 Cb 0.01 0.61 0.02 0.00 1.28 0.00 0.00 41.25 43.17 1mvg s ASN 60 CO -0.07 -0.26 -0.09 -0.44 -2.04 0.00 0.00 177.10 174.19 1mvg s SER 61 N -0.39 1.45 0.32 3.54 0.01 -1.26 -1.11 113.70 116.25 1mvg s SER 61 Ca -0.05 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 56.80 1mvg s SER 61 Cb -0.03 -0.67 0.03 0.00 0.21 0.00 0.00 66.02 65.56 1mvg s SER 61 CO 0.02 0.01 0.70 0.72 0.41 0.00 0.00 173.24 175.10 1mvg s PHE 62 N 0.71 0.07 -0.02 2.43 -0.71 -0.79 -4.67 117.98 115.00 1mvg s PHE 62 Ca -0.13 -0.58 -0.08 0.00 -1.04 0.00 0.00 56.93 55.10 1mvg s PHE 62 Cb -0.15 0.64 0.01 0.00 -1.21 0.00 0.00 43.02 42.31 1mvg s PHE 62 CO 0.02 -1.32 0.17 0.99 -1.34 0.00 0.00 175.22 173.74 1mvg s THR 63 N -3.31 0.06 0.87 -4.49 2.01 -1.26 -1.06 115.64 108.45 1mvg s THR 63 Ca 0.15 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 1mvg s THR 63 Cb -0.05 -0.41 0.11 0.00 0.01 0.00 0.00 72.50 72.16 1mvg s THR 63 CO 0.10 -0.28 1.13 -1.48 -0.69 0.00 0.00 174.62 173.40 1mvg s LEU 64 N -1.05 2.22 0.00 4.42 0.05 -0.96 -4.31 118.68 119.05 1mvg s LEU 64 Ca -0.11 1.00 0.00 0.00 0.05 0.00 0.00 54.13 55.07 1mvg s LEU 64 Cb -0.06 -3.42 0.00 0.00 -2.05 0.00 0.00 46.19 40.66 1mvg s LEU 64 CO 0.02 -2.31 0.00 0.61 -0.55 0.00 0.00 176.35 174.12 1mvg n GLY 65 N -2.39 1.62 1.26 -3.48 0.00 0.24 -4.91 105.19 97.54 1mvg n GLY 65 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1mvg n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mvg n LYS 66 N 0.00 1.55 -1.70 1.61 4.81 -1.26 -4.93 118.16 118.24 1mvg n LYS 66 Ca 0.00 -1.29 -0.39 0.00 -0.87 0.00 0.00 58.31 55.76 1mvg n LYS 66 Cb 0.00 0.35 0.03 0.00 0.02 0.00 0.00 35.03 35.43 1mvg n LYS 66 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1mvg n GLU 67 N -0.44 1.67 -3.43 1.64 0.28 -1.26 -3.60 120.64 115.51 1mvg n GLU 67 Ca -0.07 0.61 -0.17 0.00 -0.16 0.00 0.00 57.16 57.37 1mvg n GLU 67 Cb 0.22 -2.42 -0.11 0.00 1.43 0.00 0.00 31.44 30.56 1mvg n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mvg s ALA 68 N -1.28 -0.46 0.09 -1.84 0.00 -0.00 -4.73 121.76 113.54 1mvg s ALA 68 Ca 0.67 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 1mvg s ALA 68 Cb -0.46 -1.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1mvg s ALA 68 CO 0.53 -1.46 1.50 0.16 0.00 0.00 0.00 175.76 176.49 1mvg s ASP 69 N 2.37 6.71 -0.03 0.00 -4.77 -1.26 -1.86 116.67 117.82 1mvg s ASP 69 Ca 0.09 2.40 -0.07 0.00 -3.30 0.00 0.00 52.55 51.67 1mvg s ASP 69 Cb -0.15 -2.58 0.01 0.00 -1.09 0.00 0.00 42.92 39.11 1mvg s ASP 69 CO -0.23 -0.77 0.16 -0.51 0.70 0.00 0.00 175.17 174.52 1mvg s ILE 70 N 1.74 0.04 0.17 2.11 2.07 -0.49 -4.45 121.20 122.38 1mvg s ILE 70 Ca 0.68 -0.32 -0.13 0.00 -1.41 0.00 0.00 60.65 59.47 1mvg s ILE 70 Cb -0.38 -0.33 -0.07 0.00 0.13 0.00 0.00 42.46 41.80 1mvg s ILE 70 CO 0.30 -0.18 0.55 -0.89 -1.91 0.00 0.00 174.94 172.82 1mvg s THR 71 N -0.59 4.88 1.05 4.00 2.01 -1.26 -1.01 115.64 124.72 1mvg s THR 71 Ca -0.07 0.73 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 1mvg s THR 71 Cb -0.04 -3.70 0.27 0.00 0.01 0.00 0.00 72.50 69.04 1mvg s THR 71 CO 0.01 0.15 0.76 0.35 -0.69 0.00 0.00 174.62 175.19 1mvg n THR 72 N 0.51 0.00 -2.15 -0.82 -2.24 -0.44 -4.86 114.28 104.28 1mvg n THR 72 Ca -0.03 -0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 1mvg n THR 72 Cb 0.52 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 67.75 1mvg n THR 72 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1mvg n MET 73 N -4.55 2.22 -2.64 -0.78 2.81 -1.26 -4.22 117.12 108.69 1mvg n MET 73 Ca 0.11 -2.71 -0.04 0.00 -1.81 0.00 0.00 57.70 53.25 1mvg n MET 73 Cb 0.46 -3.56 0.01 0.00 -0.71 0.00 0.00 33.22 29.42 1mvg n MET 73 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1mvg n ASP 74 N 11.30 -7.28 0.00 7.83 2.03 -1.26 -5.00 116.55 124.17 1mvg n ASP 74 Ca 0.47 0.79 0.00 0.00 0.52 0.00 0.00 54.79 56.57 1mvg n ASP 74 Cb 0.45 -4.86 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 1mvg n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mvg n GLY 75 N 0.05 -1.90 3.24 0.27 0.00 -1.26 -5.08 105.19 100.50 1mvg n GLY 75 Ca 0.06 0.67 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 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 0.89 0.21 1.61 2.47 -1.26 -4.96 119.74 118.69 1mvg s LYS 76 Ca 0.00 -0.80 -0.09 0.00 -1.56 0.00 0.00 55.97 53.52 1mvg s LYS 76 Cb 0.00 0.37 -0.07 0.00 -1.46 0.00 0.00 37.83 36.67 1mvg s LYS 76 CO 0.00 -0.30 0.51 -1.59 0.16 0.00 0.00 175.35 174.13 1mvg s LYS 77 N -3.56 3.77 0.10 4.03 -2.85 -1.26 -1.33 119.74 118.64 1mvg s LYS 77 Ca 0.02 0.21 -0.01 0.00 -1.00 0.00 0.00 55.97 55.19 1mvg s LYS 77 Cb 0.03 -2.69 -0.04 0.00 -2.06 0.00 0.00 37.83 33.06 1mvg s LYS 77 CO -0.10 0.35 0.01 -0.48 0.10 0.00 0.00 175.35 175.23 1mvg s LEU 78 N -2.76 2.13 -0.09 2.77 2.34 -0.18 -4.97 118.68 117.92 1mvg s LEU 78 Ca 0.46 -1.11 -0.04 0.00 0.06 0.00 0.00 54.13 53.50 1mvg s LEU 78 Cb -0.11 0.20 -0.04 0.00 -0.56 0.00 0.00 46.19 45.68 1mvg s LEU 78 CO 0.22 -0.65 0.07 -0.75 -1.06 0.00 0.00 176.35 174.18 1mvg s LYS 79 N -3.97 3.17 0.31 1.48 2.20 -1.26 -1.40 119.74 120.27 1mvg s LYS 79 Ca 0.17 -0.31 -0.10 0.00 -0.36 0.00 0.00 55.97 55.37 1mvg s LYS 79 Cb 0.07 -2.95 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1mvg s LYS 79 CO -0.03 0.73 0.55 0.00 -0.36 0.00 0.00 175.35 176.23 1mvg s THR 81 N -3.30 3.81 0.24 0.00 2.01 -0.50 -0.82 115.64 117.08 1mvg s THR 81 Ca 0.24 -2.16 -0.30 0.00 0.31 0.00 0.00 61.69 59.78 1mvg s THR 81 Cb -0.02 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 1mvg s THR 81 CO 0.14 -0.78 1.17 -0.69 -0.69 0.00 0.00 174.62 173.77 1mvg s VAL 82 N 0.93 3.44 0.08 3.82 1.01 -1.24 -3.23 120.40 125.21 1mvg s VAL 82 Ca 0.10 1.32 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 1mvg s VAL 82 Cb -0.23 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1mvg s VAL 82 CO -0.03 0.27 0.35 -1.38 0.00 0.00 0.00 175.10 174.30 1mvg s HIS 83 N -0.62 -0.14 -0.20 5.22 -3.43 -1.09 -0.59 115.29 114.43 1mvg s HIS 83 Ca 0.49 -0.07 -0.04 0.00 -0.80 0.00 0.00 55.06 54.64 1mvg s HIS 83 Cb -0.33 0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 30.96 1mvg s HIS 83 CO 0.40 -0.59 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.35 1mvg s LEU 84 N -2.40 3.01 -0.02 5.38 0.20 -1.26 -1.58 118.68 122.01 1mvg s LEU 84 Ca -0.01 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.49 1mvg s LEU 84 Cb 0.01 -1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 44.01 1mvg s LEU 84 CO -0.07 0.04 -0.01 0.00 -0.29 0.00 0.00 176.35 176.01 1mvg h ALA 85 N 7.70 0.00 -1.04 5.97 0.00 -1.39 -3.47 119.26 127.03 1mvg h ALA 85 Ca -0.37 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 1mvg h ALA 85 Cb 1.17 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 1mvg h ALA 85 CO 0.60 0.04 -0.57 -1.71 0.00 0.00 0.00 179.25 177.61 1mvg n ASN 86 N -2.50 -2.91 -2.32 0.00 2.85 -1.26 -4.90 115.26 104.22 1mvg n ASN 86 Ca -0.01 -2.91 -0.20 0.00 -0.11 0.00 0.00 54.58 51.35 1mvg n ASN 86 Cb 0.02 1.42 -0.02 0.00 1.24 0.00 0.00 39.78 42.44 1mvg n ASN 86 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mvg n GLY 87 N 2.68 -0.25 3.33 8.20 0.00 -1.26 -4.97 105.19 112.92 1mvg n GLY 87 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1mvg n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mvg s LYS 88 N -4.91 0.53 -0.02 1.61 -0.14 -1.26 -4.75 119.74 110.80 1mvg s LYS 88 Ca 0.00 0.56 -0.18 0.00 -1.36 0.00 0.00 55.97 54.99 1mvg s LYS 88 Cb 0.00 0.26 -0.05 0.00 -1.68 0.00 0.00 37.83 36.36 1mvg s LYS 88 CO 0.00 -0.07 0.52 -0.51 -0.76 0.00 0.00 175.35 174.52 1mvg s LEU 89 N 0.12 4.41 -0.08 3.17 2.01 -0.50 -0.99 118.68 126.82 1mvg s LEU 89 Ca -0.01 1.04 -0.01 0.00 0.01 0.00 0.00 54.13 55.17 1mvg s LEU 89 Cb -0.03 -2.78 0.03 0.00 0.01 0.00 0.00 46.19 43.41 1mvg s LEU 89 CO 0.01 0.15 -0.03 -0.69 1.01 0.00 0.00 176.35 176.80 1mvg s VAL 90 N -0.31 0.60 0.01 -1.59 1.01 -0.62 -1.99 120.40 117.50 1mvg s VAL 90 Ca 0.28 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1mvg s VAL 90 Cb -0.17 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1mvg s VAL 90 CO 0.15 0.29 -0.09 0.42 0.00 0.00 0.00 175.10 175.87 1mvg s THR 91 N 1.67 0.68 -0.08 3.92 -4.23 -0.01 -2.69 115.64 114.90 1mvg s THR 91 Ca 0.02 -0.53 -0.15 0.00 -1.18 0.00 0.00 61.69 59.85 1mvg s THR 91 Cb -0.13 -0.60 0.03 0.00 1.34 0.00 0.00 72.50 73.14 1mvg s THR 91 CO -0.05 0.08 0.36 -0.75 -0.54 0.00 0.00 174.62 173.72 1mvg s LYS 92 N -0.50 0.58 0.00 3.99 2.20 -1.20 -1.52 119.74 123.30 1mvg s LYS 92 Ca 0.01 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1mvg s LYS 92 Cb -0.05 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1mvg s LYS 92 CO 0.00 -0.13 0.00 0.45 -0.36 0.00 0.00 175.35 175.31 1mvg n SER 93 N 2.01 1.38 -0.21 1.43 2.88 -0.16 -1.41 113.62 119.54 1mvg n SER 93 Ca -0.17 -0.86 0.09 0.00 -1.33 0.00 0.00 58.87 56.59 1mvg n SER 93 Cb 0.57 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.40 1mvg n SER 93 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1mvg h GLU 94 N 0.00 0.69 0.00 -1.46 9.09 -2.02 -3.37 114.58 117.51 1mvg h GLU 94 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 1mvg h GLU 94 Cb 0.00 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 26.94 1mvg h GLU 94 CO 0.00 0.46 -0.31 0.36 0.05 0.00 0.00 179.01 179.56 1mvg n LYS 95 N -4.50 0.36 -2.26 1.06 2.85 -1.26 -5.09 118.16 109.32 1mvg n LYS 95 Ca 0.13 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.04 1mvg n LYS 95 Cb 0.33 -0.66 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 1mvg n LYS 95 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1mvg s PHE 96 N -1.31 2.68 0.08 5.58 5.36 -1.26 -3.45 117.98 125.66 1mvg s PHE 96 Ca 0.00 1.54 -0.13 0.00 -0.96 0.00 0.00 56.93 57.38 1mvg s PHE 96 Cb 0.00 -3.30 0.02 0.00 -0.34 0.00 0.00 43.02 39.40 1mvg s PHE 96 CO 0.00 -1.58 0.30 -1.12 -1.46 0.00 0.00 175.22 171.36 1mvg s SER 97 N -1.73 -0.09 -0.14 6.13 0.01 -0.63 -0.99 113.70 116.25 1mvg s SER 97 Ca 0.72 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 57.32 1mvg s SER 97 Cb -0.24 0.39 0.11 0.00 0.21 0.00 0.00 66.02 66.49 1mvg s SER 97 CO 0.28 -0.72 0.92 -2.28 0.41 0.00 0.00 173.24 171.85 1mvg s HIS 98 N -3.31 -0.44 -0.23 2.43 5.04 -0.57 -0.45 115.29 117.76 1mvg s HIS 98 Ca 0.00 0.79 -0.09 0.00 -1.54 0.00 0.00 55.06 54.21 1mvg s HIS 98 Cb 0.02 0.43 0.09 0.00 0.04 0.00 0.00 32.58 33.16 1mvg s HIS 98 CO -0.08 -0.40 0.51 -2.00 -2.34 0.00 0.00 174.74 170.43 1mvg s GLU 99 N -1.04 0.45 -0.01 2.88 -6.30 -0.37 -0.83 118.70 113.49 1mvg s GLU 99 Ca -0.04 1.11 0.07 0.00 -2.50 0.00 0.00 54.97 53.62 1mvg s GLU 99 Cb -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 34.13 34.45 1mvg s GLU 99 CO 0.03 -0.20 -0.22 -0.65 0.02 0.00 0.00 175.26 174.23 1mvg s GLN 100 N 2.28 2.14 -0.05 4.30 -1.52 -0.84 -1.20 119.66 124.77 1mvg s GLN 100 Ca -0.06 -0.92 -0.02 0.00 -1.95 0.00 0.00 55.36 52.42 1mvg s GLN 100 Cb -0.10 -2.12 0.03 0.00 -0.22 0.00 0.00 33.01 30.60 1mvg s GLN 100 CO -0.15 0.56 0.09 -2.00 -0.25 0.00 0.00 175.29 173.54 1mvg s GLU 101 N -0.86 0.00 -0.07 2.91 2.12 -0.58 -1.41 118.70 120.81 1mvg s GLU 101 Ca 0.11 0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.81 1mvg s GLU 101 Cb -0.10 -0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.01 1mvg s GLU 101 CO 0.01 -0.21 -0.23 0.08 -0.54 0.00 0.00 175.26 174.37 1mvg s VAL 102 N 1.43 2.21 0.13 3.70 1.01 -1.26 -0.68 120.40 126.94 1mvg s VAL 102 Ca -0.05 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 1mvg s VAL 102 Cb -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1mvg s VAL 102 CO -0.04 0.56 0.03 -0.54 0.00 0.00 0.00 175.10 175.11 1mvg s LYS 103 N -0.03 0.94 0.00 2.72 1.02 -0.19 -5.01 119.74 119.18 1mvg s LYS 103 Ca -0.07 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.48 1mvg s LYS 103 Cb -0.15 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1mvg s LYS 103 CO 0.05 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 1mvg n GLY 104 N -0.11 0.00 2.27 -3.33 0.00 -1.26 -1.38 105.19 101.38 1mvg n GLY 104 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1mvg n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mvg n ASN 105 N -0.06 3.98 -3.69 1.61 3.02 -1.26 -4.92 115.26 113.94 1mvg n ASN 105 Ca 0.00 -3.28 -0.10 0.00 -0.03 0.00 0.00 54.58 51.17 1mvg n ASN 105 Cb 0.00 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 1mvg n ASN 105 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1mvg s GLU 106 N -3.64 0.40 -0.16 3.52 -6.30 -0.48 -3.36 118.70 108.68 1mvg s GLU 106 Ca 0.44 0.85 0.01 0.00 -2.50 0.00 0.00 54.97 53.77 1mvg s GLU 106 Cb 0.39 0.04 0.02 0.00 0.00 0.00 0.00 34.13 34.57 1mvg s GLU 106 CO 0.01 -0.17 -0.17 1.41 0.02 0.00 0.00 175.26 176.35 1mvg s MET 107 N 1.61 2.65 -0.02 4.30 -2.45 -0.19 -1.03 119.30 124.17 1mvg s MET 107 Ca -0.08 -0.70 -0.19 0.00 -1.25 0.00 0.00 55.69 53.46 1mvg s MET 107 Cb -0.09 -2.31 -0.05 0.00 1.25 0.00 0.00 34.83 33.63 1mvg s MET 107 CO -0.13 -0.18 0.56 0.08 1.05 0.00 0.00 175.02 176.39 1mvg s VAL 108 N 1.29 4.95 -0.44 10.11 1.01 0.14 -0.96 120.40 136.50 1mvg s VAL 108 Ca 0.03 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1mvg s VAL 108 Cb -0.13 -3.89 0.14 0.00 0.00 0.00 0.00 36.38 32.49 1mvg s VAL 108 CO -0.10 0.43 0.25 -1.61 0.00 0.00 0.00 175.10 174.07 1mvg s GLU 109 N -0.21 1.23 -0.11 2.72 2.02 0.08 -1.53 118.70 122.90 1mvg s GLU 109 Ca 0.29 -1.97 -0.14 0.00 0.02 0.00 0.00 54.97 53.17 1mvg s GLU 109 Cb -0.18 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.78 1mvg s GLU 109 CO 0.16 -1.18 0.32 0.99 0.02 0.00 0.00 175.26 175.57 1mvg s THR 110 N 0.37 5.25 0.02 3.63 2.01 -0.34 -0.91 115.64 125.66 1mvg s THR 110 Ca 0.18 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.84 1mvg s THR 110 Cb -0.23 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1mvg s THR 110 CO -0.01 0.46 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.66 1mvg s ILE 111 N -0.10 0.71 -0.02 1.82 1.09 -0.69 -1.23 121.20 122.77 1mvg s ILE 111 Ca 0.19 -0.66 0.01 0.00 -1.10 0.00 0.00 60.65 59.09 1mvg s ILE 111 Cb -0.14 -0.65 0.01 0.00 -1.06 0.00 0.00 42.46 40.63 1mvg s ILE 111 CO 0.07 0.00 -0.03 -0.89 -0.10 0.00 0.00 174.94 173.99 1mvg s THR 112 N -0.61 0.37 -0.60 2.92 2.01 0.41 -0.63 115.64 119.50 1mvg s THR 112 Ca -0.00 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1mvg s THR 112 Cb -0.06 -0.38 0.23 0.00 0.01 0.00 0.00 72.50 72.31 1mvg s THR 112 CO 0.00 0.15 0.66 0.33 -0.69 0.00 0.00 174.62 175.08 1mvg n PHE 113 N 3.63 2.82 -1.99 4.92 7.35 0.15 -1.61 117.46 132.74 1mvg n PHE 113 Ca -0.21 -4.06 0.00 0.00 -0.76 0.00 0.00 57.45 52.42 1mvg n PHE 113 Cb 0.54 -0.51 0.00 0.00 0.35 0.00 0.00 39.48 39.86 1mvg n PHE 113 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mvg n GLY 114 N 1.18 0.00 0.00 7.13 0.00 -1.22 -1.77 105.19 110.51 1mvg n GLY 114 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.42 4.32 3.37 -0.02 0.00 -1.26 -5.03 105.19 106.15 1mvg n GLY 115 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.19 0.33 1.61 1.01 -0.73 -5.15 120.40 119.66 1mvg s VAL 116 Ca 0.00 -1.65 0.09 0.00 0.00 0.00 0.00 61.98 60.42 1mvg s VAL 116 Cb 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1mvg s VAL 116 CO 0.00 0.15 -0.09 0.28 0.00 0.00 0.00 175.10 175.44 1mvg s THR 117 N -1.00 2.13 -0.07 3.92 -1.32 -1.26 -0.67 115.64 117.37 1mvg s THR 117 Ca 0.13 -2.20 -0.07 0.00 -1.21 0.00 0.00 61.69 58.34 1mvg s THR 117 Cb -0.10 -2.59 0.02 0.00 -1.51 0.00 0.00 72.50 68.32 1mvg s THR 117 CO 0.05 -0.23 0.19 -0.76 -2.21 0.00 0.00 174.62 171.66 1mvg s LEU 118 N -3.57 1.27 -0.09 9.08 1.02 0.20 -4.58 118.68 122.01 1mvg s LEU 118 Ca 0.32 0.34 0.03 0.00 0.02 0.00 0.00 54.13 54.84 1mvg s LEU 118 Cb 0.02 0.68 0.01 0.00 0.02 0.00 0.00 46.19 46.92 1mvg s LEU 118 CO 0.15 -0.10 -0.17 0.27 0.02 0.00 0.00 176.35 176.52 1mvg s ILE 119 N -0.04 1.55 0.04 -0.59 -5.25 -0.78 -1.71 121.20 114.42 1mvg s ILE 119 Ca -0.01 -0.72 0.05 0.00 -0.99 0.00 0.00 60.65 58.98 1mvg s ILE 119 Cb -0.02 -1.38 -0.04 0.00 2.95 0.00 0.00 42.46 43.97 1mvg s ILE 119 CO 0.00 0.45 -0.08 -0.13 -1.79 0.00 0.00 174.94 173.39 1mvg s ARG 120 N 0.58 2.39 -0.04 0.37 0.52 -0.09 -1.65 118.95 121.03 1mvg s ARG 120 Ca -0.15 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1mvg s ARG 120 Cb -0.17 -2.43 0.02 0.00 0.52 0.00 0.00 34.95 32.90 1mvg s ARG 120 CO 0.05 0.56 -0.03 1.03 0.02 0.00 0.00 175.30 176.94 1mvg s ARG 121 N -1.73 0.64 0.21 3.54 0.52 -0.47 -0.74 118.95 120.92 1mvg s ARG 121 Ca 0.19 -0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.48 1mvg s ARG 121 Cb -0.11 -0.73 -0.04 0.00 0.52 0.00 0.00 34.95 34.58 1mvg s ARG 121 CO 0.10 -0.12 -0.21 -1.12 0.02 0.00 0.00 175.30 173.97 1mvg s SER 122 N 1.03 3.24 -0.03 0.23 0.01 -0.13 -1.47 113.70 116.57 1mvg s SER 122 Ca -0.09 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 56.32 1mvg s SER 122 Cb -0.14 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 1mvg s SER 122 CO -0.01 0.05 -0.24 -0.75 0.41 0.00 0.00 173.24 172.70 1mvg s LYS 123 N -2.94 2.14 0.43 12.44 2.47 0.09 -1.03 119.74 133.34 1mvg s LYS 123 Ca 0.22 -0.85 -0.24 0.00 -1.56 0.00 0.00 55.97 53.53 1mvg s LYS 123 Cb -0.06 -1.95 -0.08 0.00 -1.46 0.00 0.00 37.83 34.27 1mvg s LYS 123 CO 0.10 0.45 1.16 0.50 0.16 0.00 0.00 175.35 177.72 1mvg s ARG 124 N -0.37 3.92 0.00 4.03 3.52 -1.21 -1.13 118.95 127.71 1mvg s ARG 124 Ca 0.04 1.78 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 1mvg s ARG 124 Cb -0.11 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1mvg s ARG 124 CO 0.01 -0.42 0.44 0.28 -0.81 0.00 0.00 175.30 174.80