#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mec s VAL 2 N 0.00 4.92 0.45 0.58 1.01 -1.26 -1.39 120.40 124.71 2mec s VAL 2 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2mec s VAL 2 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 2mec s VAL 2 CO 0.00 0.04 1.01 -0.36 0.00 0.00 0.00 175.10 175.78 2mec s PHE 3 N 1.66 3.14 0.40 5.22 0.40 -0.00 -4.99 117.98 123.81 2mec s PHE 3 Ca 0.05 1.60 -0.15 0.00 -0.60 0.00 0.00 56.93 57.84 2mec s PHE 3 Cb -0.17 -3.00 -0.08 0.00 0.51 0.00 0.00 43.02 40.28 2mec s PHE 3 CO 0.08 -0.55 0.82 -2.00 0.70 0.00 0.00 175.22 174.27 2mec s GLU 4 N -3.11 3.95 0.07 0.44 -6.30 -1.26 -4.85 118.70 107.65 2mec s GLU 4 Ca 0.64 0.71 -0.21 0.00 -2.50 0.00 0.00 54.97 53.61 2mec s GLU 4 Cb -0.15 -2.33 -0.08 0.00 0.00 0.00 0.00 34.13 31.57 2mec s GLU 4 CO 0.18 -0.00 1.35 -0.09 0.02 0.00 0.00 175.26 176.72 2mec h ARG 5 N 1.66 -0.34 0.00 4.30 2.43 -1.97 -1.67 114.38 118.79 2mec h ARG 5 Ca -0.48 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2mec h ARG 5 Cb 1.18 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2mec h ARG 5 CO 0.64 -0.23 -0.16 0.00 -1.51 0.00 0.00 179.97 178.71 2mec h GLU 7 N 0.00 0.40 -0.44 0.00 4.81 -1.87 -0.76 114.58 116.73 2mec h GLU 7 Ca -0.00 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2mec h GLU 7 Cb 0.61 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2mec h GLU 7 CO 0.02 0.52 -0.11 1.25 -0.73 0.00 0.00 179.01 179.96 2mec h LEU 8 N 0.22 0.86 -0.26 1.64 5.85 -1.10 -2.33 115.31 120.20 2mec h LEU 8 Ca 0.08 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.49 2mec h LEU 8 Cb 0.30 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2mec h LEU 8 CO 0.00 1.03 -0.12 0.00 -0.34 0.00 0.00 178.44 179.01 2mec h ALA 9 N 0.86 0.09 -0.39 1.25 0.00 -1.08 0.91 119.26 120.92 2mec h ALA 9 Ca 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2mec h ALA 9 Cb 0.65 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2mec h ALA 9 CO 0.04 -0.53 0.04 0.00 0.00 0.00 0.00 179.25 178.81 2mec h ARG 10 N -0.08 0.59 -0.09 0.00 3.08 -1.06 -2.20 114.38 114.62 2mec h ARG 10 Ca 0.14 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2mec h ARG 10 Cb 0.29 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2mec h ARG 10 CO -0.31 0.58 -0.05 1.15 -1.07 0.00 0.00 179.97 180.27 2mec h THR 11 N 0.57 1.33 -0.71 2.04 2.02 -0.66 -1.63 112.91 115.86 2mec h THR 11 Ca 0.13 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 2mec h THR 11 Cb 0.30 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2mec h THR 11 CO 0.01 0.30 0.43 -0.07 0.37 0.00 0.00 175.52 176.56 2mec h LEU 12 N -0.19 0.85 -0.72 2.58 3.38 -0.78 0.77 115.31 121.20 2mec h LEU 12 Ca 0.02 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2mec h LEU 12 Cb 0.50 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2mec h LEU 12 CO 0.01 0.65 -0.14 0.50 0.09 0.00 0.00 178.44 179.55 2mec h LYS 13 N 0.98 0.83 -0.50 1.13 3.64 -1.34 -1.38 116.57 119.93 2mec h LYS 13 Ca 0.26 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 2mec h LYS 13 Cb -0.05 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2mec h LYS 13 CO -0.05 0.92 -0.16 0.00 -2.27 0.00 0.00 179.45 177.89 2mec h ARG 14 N 0.74 0.97 -0.97 1.90 3.08 -0.38 -3.01 114.38 116.71 2mec h ARG 14 Ca 0.12 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2mec h ARG 14 Cb 0.65 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2mec h ARG 14 CO 0.05 1.05 0.00 1.28 -1.07 0.00 0.00 179.97 181.28 2mec n LEU 15 N -4.13 1.19 -1.84 3.04 4.77 0.18 -4.87 117.00 115.35 2mec n LEU 15 Ca 0.01 -0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 55.22 2mec n LEU 15 Cb 0.43 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2mec n LEU 15 CO 0.46 0.27 -0.21 0.61 -1.33 0.00 0.00 177.39 177.18 2mec n GLY 16 N 0.08 0.16 0.11 -0.72 0.00 -1.14 -4.92 105.19 98.77 2mec n GLY 16 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2mec n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2mec h MET 17 N 0.00 0.00 -6.11 1.61 2.86 -1.48 -3.40 114.93 108.41 2mec h MET 17 Ca -0.40 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.67 2mec h MET 17 Cb 1.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 2mec h MET 17 CO 0.50 0.25 1.37 0.34 1.06 0.00 0.00 176.91 180.44 2mec s ASP 18 N -5.83 5.60 0.00 1.22 2.15 -1.26 -1.80 116.67 116.75 2mec s ASP 18 Ca -0.01 1.36 0.00 0.00 0.43 0.00 0.00 52.55 54.33 2mec s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2mec s ASP 18 CO 0.79 -1.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.46 2mec n GLY 19 N 5.59 0.77 3.66 2.66 0.00 0.26 -4.87 105.19 113.26 2mec n GLY 19 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2mec n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2mec n TYR 20 N -2.21 2.45 -2.10 1.61 9.36 -0.74 -0.82 117.16 124.71 2mec n TYR 20 Ca 0.00 -0.31 -0.21 0.00 3.32 0.00 0.00 57.90 60.70 2mec n TYR 20 Cb 0.00 -2.78 -0.04 0.00 -0.63 0.00 0.00 39.34 35.89 2mec n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2mec n ARG 21 N 7.53 -1.59 -0.41 2.98 5.12 -1.26 -1.37 116.66 127.67 2mec n ARG 21 Ca 0.21 1.10 0.00 0.00 -1.93 0.00 0.00 57.85 57.23 2mec n ARG 21 Cb 0.40 -5.66 0.00 0.00 -1.16 0.00 0.00 32.46 26.04 2mec n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2mec n GLY 22 N -0.79 1.17 3.64 -0.13 0.00 0.00 -5.02 105.19 104.06 2mec n GLY 22 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2mec n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2mec s ILE 23 N -3.03 4.90 0.81 -0.61 1.01 -0.47 -4.85 121.20 118.96 2mec s ILE 23 Ca 0.00 1.39 -0.11 0.00 0.00 0.00 0.00 60.65 61.93 2mec s ILE 23 Cb 0.00 -4.04 0.08 0.00 0.01 0.00 0.00 42.46 38.51 2mec s ILE 23 CO 0.00 -0.02 1.09 -0.94 0.00 0.00 0.00 174.94 175.07 2mec s SER 24 N 1.37 4.27 0.24 3.58 1.04 -1.26 0.93 113.70 123.86 2mec s SER 24 Ca 0.31 1.65 -0.06 0.00 0.48 0.00 0.00 55.95 58.33 2mec s SER 24 Cb -0.15 -2.36 0.23 0.00 0.10 0.00 0.00 66.02 63.83 2mec s SER 24 CO 0.08 -2.16 1.87 0.25 0.98 0.00 0.00 173.24 174.26 2mec h LEU 25 N -1.22 1.13 -1.55 2.42 5.85 -1.89 -2.30 115.31 117.75 2mec h LEU 25 Ca -0.46 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 2mec h LEU 25 Cb 1.25 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2mec h LEU 25 CO 0.54 0.89 0.18 0.00 -0.34 0.00 0.00 178.44 179.71 2mec h ALA 26 N 1.30 1.66 -0.08 1.25 0.00 -1.92 0.33 119.26 121.78 2mec h ALA 26 Ca 0.33 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 2mec h ALA 26 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2mec h ALA 26 CO -0.06 0.29 -0.65 -0.91 0.00 0.00 0.00 179.25 177.92 2mec h ASN 27 N 0.48 0.37 -0.40 0.00 2.35 -1.74 0.09 115.58 116.74 2mec h ASN 27 Ca 0.13 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 2mec h ASN 27 Cb 0.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2mec h ASN 27 CO -0.02 0.92 -0.30 -0.50 -1.65 0.00 0.00 177.43 175.88 2mec h TRP 28 N 0.23 1.07 -0.54 1.19 -0.00 -0.99 -2.21 115.95 114.70 2mec h TRP 28 Ca -0.01 -0.30 -0.03 0.00 -0.00 0.00 0.00 58.89 58.55 2mec h TRP 28 Cb 1.18 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 30.09 2mec h TRP 28 CO 0.03 1.11 0.22 0.52 -0.00 0.00 0.00 178.44 180.32 2mec h MET 29 N 0.73 0.80 -0.57 0.49 2.86 -0.82 -1.26 114.93 117.17 2mec h MET 29 Ca 0.08 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 2mec h MET 29 Cb 0.88 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 2mec h MET 29 CO 0.08 0.69 0.28 0.00 1.06 0.00 0.00 176.91 179.03 2mec h LEU 31 N 0.77 0.05 -0.71 0.00 5.85 -1.11 -2.23 115.31 117.93 2mec h LEU 31 Ca 0.20 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2mec h LEU 31 Cb 0.11 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2mec h LEU 31 CO -0.03 0.06 0.44 0.00 -0.34 0.00 0.00 178.44 178.58 2mec h ALA 32 N 0.99 0.93 0.26 1.25 0.00 -1.13 -0.28 119.26 121.29 2mec h ALA 32 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2mec h ALA 32 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2mec h ALA 32 CO -0.00 0.22 -0.13 -0.22 0.00 0.00 0.00 179.25 179.12 2mec h LYS 33 N 0.87 -0.34 0.00 0.00 3.11 -1.11 -0.20 116.57 118.90 2mec h LYS 33 Ca 0.29 0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 58.10 2mec h LYS 33 Cb 0.03 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 2mec h LYS 33 CO -0.11 -0.22 -0.26 -1.49 -2.81 0.00 0.00 179.45 174.55 2mec h TRP 34 N -0.36 0.00 0.09 1.91 4.06 -1.33 -0.56 115.95 119.77 2mec h TRP 34 Ca -0.04 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.73 2mec h TRP 34 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 2mec h TRP 34 CO -0.06 0.26 -0.91 0.93 -3.56 0.00 0.00 178.44 175.10 2mec h GLU 35 N 0.00 0.19 0.00 0.49 4.39 -0.91 -3.44 114.58 115.30 2mec h GLU 35 Ca -0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2mec h GLU 35 Cb 0.95 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2mec h GLU 35 CO 0.03 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.91 2mec n SER 36 N -4.18 0.02 -0.85 1.42 3.41 -0.17 -4.84 113.62 108.44 2mec n SER 36 Ca -0.19 -0.22 -0.07 0.00 -0.26 0.00 0.00 58.87 58.13 2mec n SER 36 Cb 0.77 0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 65.01 2mec n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2mec n GLY 37 N 0.29 0.09 2.27 5.00 0.00 -0.22 -3.11 105.19 109.53 2mec n GLY 37 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2mec n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2mec n TYR 38 N -3.97 -0.19 -3.67 1.61 4.01 -1.20 -4.80 117.16 108.94 2mec n TYR 38 Ca -0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.28 2mec n TYR 38 Cb 0.56 -2.22 -0.12 0.00 -0.31 0.00 0.00 39.34 37.25 2mec n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2mec s ASN 39 N -2.75 5.49 0.49 7.72 2.47 -1.18 -0.82 114.94 126.35 2mec s ASN 39 Ca 0.00 -0.60 0.24 0.00 0.42 0.00 0.00 52.86 52.92 2mec s ASN 39 Cb 0.00 -1.98 1.25 0.00 -1.45 0.00 0.00 41.25 39.06 2mec s ASN 39 CO 0.00 -0.21 1.99 0.71 -3.72 0.00 0.00 177.10 175.87 2mec h THR 40 N 5.72 0.67 -0.73 -5.21 1.35 -1.55 -3.05 112.91 110.10 2mec h THR 40 Ca -0.31 -0.74 -0.30 0.00 -0.55 0.00 0.00 66.41 64.51 2mec h THR 40 Cb 1.14 1.47 -0.18 0.00 -1.73 0.00 0.00 68.15 68.85 2mec h THR 40 CO 0.62 0.17 0.33 -2.11 -0.25 0.00 0.00 175.52 174.27 2mec n ARG 41 N -3.67 2.88 -2.42 4.72 -4.01 -1.26 -3.87 116.66 109.03 2mec n ARG 41 Ca -0.01 -3.07 -0.41 0.00 -1.04 0.00 0.00 57.85 53.32 2mec n ARG 41 Cb 0.30 -2.12 -0.04 0.00 -3.04 0.00 0.00 32.46 27.56 2mec n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2mec s ALA 42 N -3.13 3.42 0.01 2.89 0.00 -1.16 -4.82 121.76 118.96 2mec s ALA 42 Ca 0.53 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2mec s ALA 42 Cb 0.44 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 2mec s ALA 42 CO 0.10 -0.27 -0.01 0.95 0.00 0.00 0.00 175.76 176.53 2mec s THR 43 N -0.73 0.06 -0.23 0.00 -4.23 -1.26 -0.02 115.64 109.23 2mec s THR 43 Ca 0.48 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 2mec s THR 43 Cb -0.32 -0.10 0.08 0.00 1.34 0.00 0.00 72.50 73.49 2mec s THR 43 CO 0.40 -0.14 0.09 0.21 -0.54 0.00 0.00 174.62 174.64 2mec s ASN 44 N -0.44 3.01 -0.09 3.99 2.47 -0.31 -4.95 114.94 118.63 2mec s ASN 44 Ca -0.05 -0.97 -0.26 0.00 0.42 0.00 0.00 52.86 52.00 2mec s ASN 44 Cb -0.03 -0.43 -0.03 0.00 -1.45 0.00 0.00 41.25 39.32 2mec s ASN 44 CO -0.00 -0.37 0.83 -0.47 -3.72 0.00 0.00 177.10 173.36 2mec s TYR 45 N 2.00 3.54 -0.46 0.43 5.04 -1.26 -0.56 117.35 126.09 2mec s TYR 45 Ca 0.04 1.38 -0.10 0.00 -2.44 0.00 0.00 57.07 55.95 2mec s TYR 45 Cb -0.16 -2.97 0.11 0.00 0.35 0.00 0.00 41.96 39.28 2mec s TYR 45 CO -0.19 -0.06 0.33 -0.80 -1.34 0.00 0.00 175.55 173.49 2mec s ASN 46 N 0.98 5.71 0.63 4.32 0.01 0.77 -4.96 114.94 122.40 2mec s ASN 46 Ca 0.42 -1.77 0.37 0.00 -0.71 0.00 0.00 52.86 51.18 2mec s ASN 46 Cb -0.18 -2.02 2.13 0.00 0.41 0.00 0.00 41.25 41.59 2mec s ASN 46 CO 0.19 -0.65 2.31 0.00 -1.51 0.00 0.00 177.10 177.44 2mec h ALA 47 N 8.46 1.25 -0.59 0.60 0.00 -1.95 -0.69 119.26 126.34 2mec h ALA 47 Ca -0.22 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2mec h ALA 47 Cb 1.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2mec h ALA 47 CO 0.84 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 180.86 2mec h GLY 48 N 0.05 1.11 -0.09 0.00 0.00 -1.94 -3.29 103.07 98.91 2mec h GLY 48 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.51 2mec h GLY 48 CO 0.00 0.75 -0.05 2.09 0.00 0.00 0.00 176.54 179.34 2mec n ASP 49 N -4.18 1.72 -2.55 0.19 5.75 -1.14 -4.99 116.55 111.36 2mec n ASP 49 Ca 0.03 -2.28 -0.14 0.00 -0.01 0.00 0.00 54.79 52.39 2mec n ASP 49 Cb 0.35 -0.17 -0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2mec n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2mec n ARG 50 N -0.74 -2.42 -4.06 0.11 1.74 -0.28 -4.64 116.66 106.37 2mec n ARG 50 Ca 0.06 0.60 -0.22 0.00 -0.77 0.00 0.00 57.85 57.52 2mec n ARG 50 Cb 0.46 -5.22 -0.04 0.00 -1.02 0.00 0.00 32.46 26.63 2mec n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2mec s SER 51 N -2.12 5.48 -0.00 0.55 1.04 -1.13 -4.39 113.70 113.13 2mec s SER 51 Ca 0.05 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.21 2mec s SER 51 Cb -0.03 -1.32 -0.01 0.00 0.10 0.00 0.00 66.02 64.76 2mec s SER 51 CO 0.06 -0.10 -0.09 -0.89 0.98 0.00 0.00 173.24 173.21 2mec s THR 52 N -2.17 0.67 -0.13 2.02 2.01 -1.26 -0.17 115.64 116.62 2mec s THR 52 Ca 0.34 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 2mec s THR 52 Cb -0.07 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 2mec s THR 52 CO 0.25 0.16 0.23 -1.81 -0.69 0.00 0.00 174.62 172.76 2mec s ASP 53 N -0.29 6.43 -0.06 3.53 1.01 0.28 -0.81 116.67 126.75 2mec s ASP 53 Ca 0.03 0.51 0.04 0.00 0.71 0.00 0.00 52.55 53.84 2mec s ASP 53 Cb -0.04 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2mec s ASP 53 CO -0.00 0.24 -0.20 -0.31 0.21 0.00 0.00 175.17 175.11 2mec s TYR 54 N -0.23 2.57 0.00 4.23 1.51 -0.37 -1.16 117.35 123.90 2mec s TYR 54 Ca 0.15 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2mec s TYR 54 Cb -0.13 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 2mec s TYR 54 CO 0.04 -0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.81 2mec n GLY 55 N 2.80 -0.72 0.35 0.71 0.00 0.97 -2.04 105.19 107.26 2mec n GLY 55 Ca -0.17 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.77 2mec n GLY 55 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2mec h MET 56 N 0.00 0.85 -0.45 1.61 4.05 -1.65 -1.77 114.93 117.57 2mec h MET 56 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2mec h MET 56 Cb 0.00 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.61 2mec h MET 56 CO 0.00 0.56 0.00 1.19 0.23 0.00 0.00 176.91 178.89 2mec n PHE 57 N -4.47 0.58 -3.96 1.39 3.72 -1.26 -3.77 117.46 109.69 2mec n PHE 57 Ca 0.11 -0.29 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 2mec n PHE 57 Cb 0.18 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.75 2mec n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2mec n GLN 58 N 1.47 -0.54 -2.72 -1.08 1.13 -0.66 -4.90 117.38 110.08 2mec n GLN 58 Ca 0.20 0.19 -0.42 0.00 -1.94 0.00 0.00 57.00 55.03 2mec n GLN 58 Cb 0.60 -3.02 -0.03 0.00 0.11 0.00 0.00 30.24 27.90 2mec n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2mec s ILE 59 N -3.51 4.78 0.19 5.09 1.01 -0.86 -4.47 121.20 123.42 2mec s ILE 59 Ca 0.49 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.81 2mec s ILE 59 Cb -0.24 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 2mec s ILE 59 CO 0.94 -0.03 1.27 0.21 0.00 0.00 0.00 174.94 177.33 2mec s ASN 60 N 1.13 6.95 0.48 3.58 3.84 -1.26 -1.23 114.94 128.43 2mec s ASN 60 Ca 0.46 2.34 0.31 0.00 0.21 0.00 0.00 52.86 56.18 2mec s ASN 60 Cb -0.17 -2.61 1.26 0.00 -0.55 0.00 0.00 41.25 39.18 2mec s ASN 60 CO 0.14 -0.48 1.92 0.77 -2.79 0.00 0.00 177.10 176.66 2mec h SER 61 N 5.38 0.00 1.71 -4.21 4.64 -1.20 -2.11 113.55 117.75 2mec h SER 61 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2mec h SER 61 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2mec h SER 61 CO 0.77 0.00 0.00 -0.09 -0.87 0.00 0.00 176.83 176.64 2mec h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.39 114.38 116.36 2mec h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2mec h ARG 62 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2mec h ARG 62 CO 0.00 0.00 -0.71 0.66 -1.51 0.00 0.00 179.97 178.41 2mec n TYR 63 N -3.08 0.00 -0.04 2.20 4.01 -1.13 -1.28 117.16 117.84 2mec n TYR 63 Ca 0.03 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.74 2mec n TYR 63 Cb 0.46 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.42 2mec n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2mec n TRP 64 N -1.71 0.00 -4.04 -0.72 7.02 -0.81 -1.83 117.44 115.34 2mec n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2mec n TRP 64 Cb 0.36 -0.43 -0.10 0.00 -2.42 0.00 0.00 31.31 28.72 2mec n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2mec s ASN 66 N -2.69 6.30 0.00 0.00 2.47 -0.24 -4.46 114.94 116.31 2mec s ASN 66 Ca 0.03 0.35 0.00 0.00 0.42 0.00 0.00 52.86 53.66 2mec s ASN 66 Cb 0.05 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 2mec s ASN 66 CO -0.09 0.28 0.28 -0.90 -3.72 0.00 0.00 177.10 172.95 2mec n ASP 67 N 2.85 0.52 0.00 -4.21 5.75 -1.26 -0.02 116.55 120.18 2mec n ASP 67 Ca -0.18 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 2mec n ASP 67 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2mec n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2mec n GLY 68 N -0.02 0.10 0.00 6.12 0.00 -1.26 -4.75 105.19 105.38 2mec n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2mec n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2mec n LYS 69 N -0.23 1.23 -3.91 1.61 5.02 -1.26 -5.02 118.16 115.59 2mec n LYS 69 Ca 0.00 -1.05 -0.35 0.00 -2.02 0.00 0.00 58.31 54.89 2mec n LYS 69 Cb 0.32 -0.99 -0.13 0.00 -0.02 0.00 0.00 35.03 34.20 2mec n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2mec s THR 70 N -0.55 3.65 0.36 -0.18 2.01 -1.26 -4.89 115.64 114.77 2mec s THR 70 Ca 0.00 -0.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.31 2mec s THR 70 Cb 0.00 -2.67 -0.11 0.00 0.01 0.00 0.00 72.50 69.73 2mec s THR 70 CO 0.00 0.41 1.51 -2.65 -0.69 0.00 0.00 174.62 173.20 2mec n PRO 71 N 4.72 2.69 -4.03 4.92 -0.02 -1.26 -3.10 135.00 138.92 2mec n PRO 71 Ca -0.18 0.95 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 2mec n PRO 71 Cb 0.51 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 2mec n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2mec n GLY 72 N 0.79 -0.32 3.84 -1.23 0.00 -1.26 -4.94 105.19 102.07 2mec n GLY 72 Ca 0.03 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2mec n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mec s ALA 73 N -3.68 3.60 0.17 4.61 0.00 -1.18 -4.92 121.76 120.35 2mec s ALA 73 Ca 0.30 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.23 2mec s ALA 73 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2mec s ALA 73 CO 0.90 0.45 -0.07 0.14 0.00 0.00 0.00 175.76 177.18 2mec s VAL 74 N -1.35 3.38 -0.60 0.00 -7.23 -0.40 -4.99 120.40 109.20 2mec s VAL 74 Ca 0.35 -1.52 0.06 0.00 -1.81 0.00 0.00 61.98 59.05 2mec s VAL 74 Cb -0.16 -2.67 0.25 0.00 0.56 0.00 0.00 36.38 34.36 2mec s VAL 74 CO 0.19 -0.07 0.71 -3.20 -0.31 0.00 0.00 175.10 172.41 2mec n ASN 75 N 0.10 3.22 -0.20 4.85 5.15 -1.26 -3.50 115.26 123.62 2mec n ASN 75 Ca -0.11 -3.33 0.08 0.00 -0.60 0.00 0.00 54.58 50.62 2mec n ASN 75 Cb 0.55 -0.67 0.36 0.00 -0.53 0.00 0.00 39.78 39.50 2mec n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2mec h ALA 76 N 4.16 1.75 -0.00 5.20 0.00 -1.43 -0.75 119.26 128.19 2mec h ALA 76 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2mec h ALA 76 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2mec h ALA 76 CO 0.78 0.11 -0.18 0.00 0.00 0.00 0.00 179.25 179.96 2mec n HIS 78 N -1.29 -1.98 -3.78 0.00 -0.00 -0.29 -5.00 115.22 102.88 2mec n HIS 78 Ca 0.10 0.52 -0.13 0.00 -0.00 0.00 0.00 57.72 58.21 2mec n HIS 78 Cb 0.31 -3.56 -0.09 0.00 -0.00 0.00 0.00 29.99 26.65 2mec n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2mec s LEU 79 N -6.33 0.99 0.22 2.41 1.43 -1.26 -5.08 118.68 111.06 2mec s LEU 79 Ca 0.46 0.00 -0.26 0.00 -1.03 0.00 0.00 54.13 53.30 2mec s LEU 79 Cb -0.15 1.17 -0.09 0.00 0.03 0.00 0.00 46.19 47.15 2mec s LEU 79 CO 0.84 -0.45 0.84 -0.94 0.23 0.00 0.00 176.35 176.87 2mec s SER 80 N -1.42 7.40 0.64 2.29 1.04 -1.26 -1.08 113.70 121.31 2mec s SER 80 Ca -0.13 1.73 0.39 0.00 0.48 0.00 0.00 55.95 58.42 2mec s SER 80 Cb -0.05 -2.53 2.20 0.00 0.10 0.00 0.00 66.02 65.74 2mec s SER 80 CO 0.03 0.12 2.33 0.00 0.98 0.00 0.00 173.24 176.70 2mec h SER 82 N 0.00 0.00 0.65 0.00 4.64 -1.92 -1.12 113.55 115.81 2mec h SER 82 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2mec h SER 82 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2mec h SER 82 CO -0.00 0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 2mec h ALA 83 N 1.81 1.00 -0.30 5.18 0.00 -1.59 -2.31 119.26 123.06 2mec h ALA 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2mec h ALA 83 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2mec h ALA 83 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2mec n LEU 84 N -2.55 2.02 -0.41 0.00 4.77 -0.42 -3.78 117.00 116.62 2mec n LEU 84 Ca 0.01 -0.94 0.06 0.00 -0.03 0.00 0.00 56.01 55.11 2mec n LEU 84 Cb 0.21 -0.20 0.14 0.00 -2.33 0.00 0.00 43.42 41.25 2mec n LEU 84 CO 0.20 0.47 0.61 0.18 -1.33 0.00 0.00 177.39 177.52 2mec n LEU 85 N 0.58 2.83 -4.86 2.23 4.77 -0.87 -3.73 117.00 117.95 2mec n LEU 85 Ca 0.15 -2.56 -0.31 0.00 -0.03 0.00 0.00 56.01 53.26 2mec n LEU 85 Cb 0.35 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2mec n LEU 85 CO 0.11 0.66 0.71 -1.10 -1.33 0.00 0.00 177.39 176.44 2mec s GLN 86 N -1.98 3.51 0.21 3.23 -0.21 -1.25 -4.45 119.66 118.72 2mec s GLN 86 Ca 0.25 0.82 0.01 0.00 0.02 0.00 0.00 55.36 56.46 2mec s GLN 86 Cb 0.19 -2.07 0.17 0.00 1.00 0.00 0.00 33.01 32.30 2mec s GLN 86 CO 0.07 -0.64 1.52 -0.44 -2.12 0.00 0.00 175.29 173.67 2mec h ASP 87 N -0.24 0.42 -3.49 5.90 5.19 -1.94 -3.40 116.42 118.87 2mec h ASP 87 Ca -0.44 -0.24 -0.60 0.00 -0.62 0.00 0.00 57.03 55.12 2mec h ASP 87 Cb 1.19 -0.12 -0.10 0.00 0.18 0.00 0.00 39.33 40.48 2mec h ASP 87 CO 0.61 0.93 0.51 0.21 -3.12 0.00 0.00 179.24 178.38 2mec s ASN 88 N -6.92 6.64 0.00 6.45 3.84 -1.26 -4.90 114.94 118.79 2mec s ASN 88 Ca -0.05 0.52 0.28 0.00 0.21 0.00 0.00 52.86 53.81 2mec s ASN 88 Cb 0.11 -2.44 1.39 0.00 -0.55 0.00 0.00 41.25 39.76 2mec s ASN 88 CO 0.82 -0.79 1.92 2.30 -2.79 0.00 0.00 177.10 178.56 2mec n ILE 89 N 5.87 0.02 -0.27 -5.21 -5.35 -1.26 -4.40 119.36 108.77 2mec n ILE 89 Ca 0.05 -0.12 0.06 0.00 -0.27 0.00 0.00 62.75 62.47 2mec n ILE 89 Cb 0.48 -0.03 0.17 0.00 -1.74 0.00 0.00 39.64 38.52 2mec n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mec h ALA 90 N 4.08 0.80 -0.63 -1.28 0.00 -1.95 0.14 119.26 120.41 2mec h ALA 90 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2mec h ALA 90 Cb 0.23 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2mec h ALA 90 CO 0.00 -0.43 0.13 -0.44 0.00 0.00 0.00 179.25 178.50 2mec h ASP 91 N 0.08 0.96 -0.31 0.00 5.19 -1.87 -1.26 116.42 119.22 2mec h ASP 91 Ca 0.43 -0.21 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 2mec h ASP 91 Cb 0.76 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 2mec h ASP 91 CO -0.71 0.95 -0.06 0.00 -3.12 0.00 0.00 179.24 176.30 2mec h ALA 92 N 1.17 0.43 -0.63 3.45 0.00 -1.14 -2.63 119.26 119.90 2mec h ALA 92 Ca 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2mec h ALA 92 Cb 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2mec h ALA 92 CO 0.01 0.24 0.42 0.28 0.00 0.00 0.00 179.25 180.19 2mec h VAL 93 N 0.37 1.16 -0.61 0.00 2.07 -0.53 -0.07 116.25 118.64 2mec h VAL 93 Ca 0.08 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2mec h VAL 93 Cb 0.54 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2mec h VAL 93 CO 0.03 0.16 0.31 0.00 0.02 0.00 0.00 177.57 178.09 2mec h ALA 94 N 1.23 1.41 -0.06 1.67 0.00 -1.15 -1.91 119.26 120.45 2mec h ALA 94 Ca 0.23 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 2mec h ALA 94 Cb -0.10 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.46 2mec h ALA 94 CO -0.05 0.48 -0.82 0.00 0.00 0.00 0.00 179.25 178.86 2mec h ALA 96 N 0.44 1.85 -0.19 0.00 0.00 -0.65 0.58 119.26 121.28 2mec h ALA 96 Ca -0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2mec h ALA 96 Cb 1.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2mec h ALA 96 CO 0.16 -0.02 -0.33 0.87 0.00 0.00 0.00 179.25 179.93 2mec h LYS 97 N 0.65 0.39 -0.20 0.00 1.57 -1.34 -2.46 116.57 115.18 2mec h LYS 97 Ca 0.37 -0.17 -0.21 0.00 -1.87 0.00 0.00 60.65 58.77 2mec h LYS 97 Cb 0.55 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.86 2mec h LYS 97 CO -0.14 0.68 -0.71 -0.09 -0.57 0.00 0.00 179.45 178.62 2mec h ARG 98 N 0.34 0.82 -0.56 3.15 9.65 -0.84 -2.97 114.38 123.96 2mec h ARG 98 Ca 0.04 -0.62 0.01 0.00 -1.10 0.00 0.00 59.98 58.31 2mec h ARG 98 Cb 0.75 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 2mec h ARG 98 CO 0.06 1.24 0.36 0.28 2.80 0.00 0.00 179.97 184.71 2mec h VAL 99 N 0.58 1.11 0.00 0.20 2.07 -1.03 -2.48 116.25 116.70 2mec h VAL 99 Ca -0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2mec h VAL 99 Cb 1.33 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2mec h VAL 99 CO 0.15 0.13 0.00 -0.37 0.02 0.00 0.00 177.57 177.50 2mec h VAL 100 N 0.73 0.00 0.00 2.57 -1.51 -1.46 -2.85 116.25 113.73 2mec h VAL 100 Ca 0.21 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 2mec h VAL 100 Cb -0.04 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2mec h VAL 100 CO -0.07 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.81 2mec n ARG 101 N -2.37 0.23 -2.26 5.19 1.74 -0.94 -3.86 116.66 114.39 2mec n ARG 101 Ca 0.03 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 2mec n ARG 101 Cb 0.33 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 2mec n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2mec s ASP 102 N -2.70 6.49 0.22 0.55 1.11 -1.08 -4.94 116.67 116.31 2mec s ASP 102 Ca 0.19 1.49 -0.05 0.00 0.18 0.00 0.00 52.55 54.35 2mec s ASP 102 Cb 0.15 -2.48 0.37 0.00 1.07 0.00 0.00 42.92 42.03 2mec s ASP 102 CO 0.37 -0.67 1.19 -2.65 1.18 0.00 0.00 175.17 174.60 2mec n PRO 103 N -1.94 -0.07 0.28 8.23 -0.02 -1.26 -0.85 135.00 139.36 2mec n PRO 103 Ca 0.06 1.19 0.17 0.00 -2.02 0.00 0.00 63.50 62.90 2mec n PRO 103 Cb 0.54 -1.78 0.72 0.00 -0.02 0.00 0.00 33.50 32.96 2mec n PRO 103 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2mec h GLN 104 N 0.00 0.00 0.00 -0.52 4.20 -1.91 -3.49 115.11 113.39 2mec h GLN 104 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2mec h GLN 104 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2mec h GLN 104 CO -0.78 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 177.81 2mec n GLY 105 N -0.07 1.67 0.10 3.46 0.00 -0.03 -2.16 105.19 108.15 2mec n GLY 105 Ca 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.53 2mec n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2mec n ILE 106 N 0.00 1.02 0.72 -0.61 3.06 -1.26 -2.54 119.36 119.75 2mec n ILE 106 Ca 0.00 0.37 0.06 0.00 -2.50 0.00 0.00 62.75 60.68 2mec n ILE 106 Cb 0.00 -1.28 0.35 0.00 0.54 0.00 0.00 39.64 39.25 2mec n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2mec n ARG 107 N -2.02 0.34 0.01 9.51 1.74 -0.92 -1.95 116.66 123.37 2mec n ARG 107 Ca 0.01 0.04 -0.03 0.00 -0.77 0.00 0.00 57.85 57.11 2mec n ARG 107 Cb 0.15 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.32 2mec n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mec h ALA 108 N 2.72 1.17 -1.60 7.54 0.00 -1.67 -3.39 119.26 124.03 2mec h ALA 108 Ca 0.00 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 2mec h ALA 108 Cb 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.56 2mec h ALA 108 CO 0.00 0.53 0.68 -1.58 0.00 0.00 0.00 179.25 178.88 2mec s TRP 109 N -4.61 2.59 0.54 0.00 0.51 -0.82 -4.89 118.94 112.26 2mec s TRP 109 Ca -0.07 -0.34 0.31 0.00 -2.12 0.00 0.00 56.10 53.88 2mec s TRP 109 Cb 0.14 -4.35 1.47 0.00 -0.81 0.00 0.00 33.47 29.92 2mec s TRP 109 CO 0.78 -1.72 1.89 0.28 -0.51 0.00 0.00 176.95 177.67 2mec h VAL 110 N 6.00 0.53 -0.09 4.03 2.07 -1.88 0.96 116.25 127.88 2mec h VAL 110 Ca -0.28 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 2mec h VAL 110 Cb 1.07 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2mec h VAL 110 CO 1.20 0.00 -0.67 0.00 0.02 0.00 0.00 177.57 178.11 2mec h ALA 111 N 1.54 0.68 -0.54 1.67 0.00 -1.95 -2.25 119.26 118.41 2mec h ALA 111 Ca 0.39 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2mec h ALA 111 Cb 1.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2mec h ALA 111 CO -0.00 0.75 -0.10 2.35 0.00 0.00 0.00 179.25 182.25 2mec h TRP 112 N 0.26 1.12 -0.39 0.00 7.01 -1.15 0.96 115.95 123.76 2mec h TRP 112 Ca -0.02 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 60.74 2mec h TRP 112 Cb 1.23 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 2mec h TRP 112 CO 0.04 1.04 0.17 0.00 -2.79 0.00 0.00 178.44 176.90 2mec h ARG 113 N 0.90 0.57 -0.25 2.65 3.08 -1.43 0.13 114.38 120.02 2mec h ARG 113 Ca 0.14 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 2mec h ARG 113 Cb 0.66 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2mec h ARG 113 CO 0.05 0.52 -0.46 -0.91 -1.07 0.00 0.00 179.97 178.10 2mec h ASN 114 N 0.49 0.71 -0.00 7.04 2.35 -1.23 -3.31 115.58 121.62 2mec h ASN 114 Ca 0.13 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2mec h ASN 114 Cb 0.15 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2mec h ASN 114 CO -0.01 1.06 -0.14 0.54 -1.65 0.00 0.00 177.43 177.23 2mec n ARG 115 N -4.01 2.37 0.00 0.81 5.12 0.32 -4.87 116.66 116.39 2mec n ARG 115 Ca -0.02 -0.47 0.00 0.00 -1.93 0.00 0.00 57.85 55.42 2mec n ARG 115 Cb 0.56 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 2mec n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2mec n GLN 117 N -2.19 1.86 -0.92 0.00 7.27 0.22 -1.99 117.38 121.64 2mec n GLN 117 Ca 0.00 0.67 0.00 0.00 0.07 0.00 0.00 57.00 57.74 2mec n GLN 117 Cb 0.20 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.49 2mec n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2mec n ASN 118 N 2.84 -3.69 -4.80 1.69 5.03 -1.26 -4.95 115.26 110.13 2mec n ASN 118 Ca 0.16 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.38 2mec n ASN 118 Cb 0.27 -2.25 -0.05 0.00 -1.02 0.00 0.00 39.78 36.73 2mec n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2mec s ARG 119 N -1.14 2.36 -0.00 3.52 0.52 -0.84 -5.08 118.95 118.29 2mec s ARG 119 Ca 0.00 -1.71 -0.30 0.00 -0.52 0.00 0.00 55.73 53.20 2mec s ARG 119 Cb 0.00 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 2mec s ARG 119 CO 0.00 -0.15 1.18 0.34 0.02 0.00 0.00 175.30 176.69 2mec s ASP 120 N -4.01 7.09 -0.01 0.23 -1.08 -1.26 -4.87 116.67 112.77 2mec s ASP 120 Ca 0.44 1.89 0.01 0.00 -0.52 0.00 0.00 52.55 54.37 2mec s ASP 120 Cb 0.01 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.92 2mec s ASP 120 CO 0.25 -0.51 0.83 1.33 0.52 0.00 0.00 175.17 177.59 2mec n VAL 121 N 4.27 0.66 0.29 1.11 0.24 -1.26 -4.81 118.33 118.83 2mec n VAL 121 Ca 0.10 -0.68 0.15 0.00 -2.04 0.00 0.00 64.34 61.86 2mec n VAL 121 Cb 0.47 0.64 0.90 0.00 -1.47 0.00 0.00 33.84 34.37 2mec n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2mec h ARG 122 N 0.00 0.00 -0.08 7.34 3.08 -1.93 -2.75 114.38 120.05 2mec h ARG 122 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2mec h ARG 122 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2mec h ARG 122 CO 0.00 0.01 -0.31 -0.56 -1.07 0.00 0.00 179.97 178.04 2mec h GLN 123 N 0.00 0.14 0.00 0.04 -0.00 -1.97 -2.61 115.11 110.72 2mec h GLN 123 Ca -0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2mec h GLN 123 Cb 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 2mec h GLN 123 CO 0.00 0.45 0.05 0.66 -0.00 0.00 0.00 178.83 179.98 2mec n TYR 124 N -4.13 0.70 -0.38 0.06 4.02 -1.04 -1.83 117.16 114.56 2mec n TYR 124 Ca -0.01 0.36 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 2mec n TYR 124 Cb 0.39 -1.05 0.00 0.00 -0.02 0.00 0.00 39.34 38.65 2mec n TYR 124 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2mec n VAL 125 N -2.23 0.00 -1.78 -0.72 0.24 -1.09 -4.87 118.33 107.88 2mec n VAL 125 Ca -0.01 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.58 2mec n VAL 125 Cb 0.08 1.38 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 2mec n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2mec s GLN 126 N -0.05 4.13 0.00 7.34 -1.52 -0.76 -2.26 119.66 126.54 2mec s GLN 126 Ca 0.00 2.57 0.00 0.00 -1.95 0.00 0.00 55.36 55.98 2mec s GLN 126 Cb 0.00 -3.03 0.00 0.00 -0.22 0.00 0.00 33.01 29.76 2mec s GLN 126 CO 0.00 -0.65 0.00 0.41 -0.25 0.00 0.00 175.29 174.80 2mec n GLY 127 N 2.47 0.52 0.14 3.09 0.00 -1.26 -4.87 105.19 105.28 2mec n GLY 127 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2mec n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mec n GLY 129 N 1.19 0.20 0.00 0.00 0.00 -1.26 -4.96 105.19 100.36 2mec n GLY 129 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2mec n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65