#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm4 n ASN 2 N 0.00 1.16 0.24 6.12 5.15 -1.26 -4.80 115.26 121.87 1mm4 n ASN 2 Ca 0.00 -2.61 0.13 0.00 -0.60 0.00 0.00 54.58 51.51 1mm4 n ASN 2 Cb 0.00 -0.36 0.36 0.00 -0.53 0.00 0.00 39.78 39.25 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mm4 h ALA 3 N 0.80 0.98 0.10 5.20 0.00 -2.04 -1.74 119.26 122.57 1mm4 h ALA 3 Ca -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1mm4 h ALA 3 Cb 1.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1mm4 h ALA 3 CO 0.05 0.05 -0.05 -0.44 0.00 0.00 0.00 179.25 178.86 1mm4 h ASP 4 N 0.00 -0.12 0.58 0.00 3.32 -1.99 -2.20 116.42 116.01 1mm4 h ASP 4 Ca -0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1mm4 h ASP 4 Cb 0.83 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1mm4 h ASP 4 CO 0.01 0.47 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.42 1mm4 h GLU 5 N -1.00 0.00 0.01 3.56 5.08 -1.93 -1.97 114.58 118.33 1mm4 h GLU 5 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1mm4 h GLU 5 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1mm4 h GLU 5 CO 0.02 0.24 -0.87 2.35 -1.00 0.00 0.00 179.01 179.76 1mm4 h TRP 6 N 0.00 0.10 0.08 4.33 -0.00 -1.41 -3.07 115.95 115.99 1mm4 h TRP 6 Ca -0.00 -0.06 -0.25 0.00 -0.00 0.00 0.00 58.89 58.58 1mm4 h TRP 6 Cb 0.59 -0.01 0.02 0.00 -0.00 0.00 0.00 29.16 29.77 1mm4 h TRP 6 CO 0.00 0.90 -1.01 0.52 -0.00 0.00 0.00 178.44 178.85 1mm4 h MET 7 N 0.03 0.54 0.00 2.65 2.86 -1.01 -3.24 114.93 116.77 1mm4 h MET 7 Ca -0.02 -0.69 -0.01 0.00 -2.06 0.00 0.00 59.70 56.91 1mm4 h MET 7 Cb 1.52 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 33.40 1mm4 h MET 7 CO 0.12 1.29 -0.05 1.79 1.06 0.00 0.00 176.91 181.12 1mm4 h THR 8 N 0.12 1.02 -0.82 2.22 1.35 -1.44 -2.19 112.91 113.16 1mm4 h THR 8 Ca -0.15 -0.19 0.04 0.00 -0.55 0.00 0.00 66.41 65.56 1mm4 h THR 8 Cb 1.71 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 69.18 1mm4 h THR 8 CO 0.20 0.05 0.52 0.74 -0.25 0.00 0.00 175.52 176.78 1mm4 h THR 9 N 0.00 1.10 -0.06 6.82 2.02 -1.56 0.13 112.91 121.35 1mm4 h THR 9 Ca -0.00 -0.34 -0.24 0.00 0.77 0.00 0.00 66.41 66.60 1mm4 h THR 9 Cb 0.10 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1mm4 h THR 9 CO 0.01 0.18 -0.91 -0.26 0.37 0.00 0.00 175.52 174.91 1mm4 h PHE 10 N 0.99 0.96 -0.11 3.16 -1.00 -1.53 -2.40 116.94 117.01 1mm4 h PHE 10 Ca 0.34 -0.48 -0.06 0.00 2.81 0.00 0.00 57.97 60.58 1mm4 h PHE 10 Cb 0.06 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1mm4 h PHE 10 CO -0.03 1.30 -0.21 -0.09 -1.61 0.00 0.00 178.31 177.67 1mm4 h ARG 11 N 0.42 0.18 0.03 1.51 1.12 -1.05 -2.37 114.38 114.22 1mm4 h ARG 11 Ca -0.09 -0.05 -0.22 0.00 -1.11 0.00 0.00 59.98 58.51 1mm4 h ARG 11 Cb 1.54 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 31.47 1mm4 h ARG 11 CO 0.18 0.39 -1.02 1.49 -3.11 0.00 0.00 179.97 177.89 1mm4 h GLU 12 N 0.17 0.10 -0.25 0.20 4.22 -0.75 -2.43 114.58 115.84 1mm4 h GLU 12 Ca 0.03 -0.15 -0.04 0.00 0.08 0.00 0.00 59.36 59.28 1mm4 h GLU 12 Cb 0.47 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1mm4 h GLU 12 CO 0.03 1.03 0.00 -0.97 -2.18 0.00 0.00 179.01 176.92 1mm4 h ASN 13 N 0.04 0.44 0.60 1.04 -1.24 -1.03 -2.06 115.58 113.36 1mm4 h ASN 13 Ca -0.05 -0.31 -0.15 0.00 0.71 0.00 0.00 56.30 56.51 1mm4 h ASN 13 Cb 1.74 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.66 1mm4 h ASN 13 CO 0.15 0.64 -0.69 0.40 -1.29 0.00 0.00 177.43 176.63 1mm4 h ILE 14 N 0.23 1.47 -0.50 2.57 1.08 -1.53 -2.65 117.51 118.18 1mm4 h ILE 14 Ca 0.07 -2.30 -0.06 0.00 -0.39 0.00 0.00 64.86 62.19 1mm4 h ILE 14 Cb 0.41 2.23 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 1mm4 h ILE 14 CO 0.01 0.66 0.09 0.00 -0.69 0.00 0.00 178.15 178.22 1mm4 h ALA 15 N 1.24 0.66 -0.19 1.87 0.00 -1.32 -1.65 119.26 119.87 1mm4 h ALA 15 Ca -0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1mm4 h ALA 15 Cb 1.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1mm4 h ALA 15 CO 0.10 0.38 -0.20 1.96 0.00 0.00 0.00 179.25 181.49 1mm4 h GLN 16 N 0.70 0.47 -0.20 0.00 1.08 -1.37 0.13 115.11 115.90 1mm4 h GLN 16 Ca 0.15 -0.25 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1mm4 h GLN 16 Cb 0.38 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1mm4 h GLN 16 CO 0.01 0.83 0.13 1.15 -0.95 0.00 0.00 178.83 180.00 1mm4 h THR 17 N 0.13 1.04 0.00 -0.54 2.02 -1.42 -0.53 112.91 113.60 1mm4 h THR 17 Ca 0.03 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1mm4 h THR 17 Cb 0.75 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1mm4 h THR 17 CO 0.05 0.05 -0.16 -0.50 0.37 0.00 0.00 175.52 175.32 1mm4 h TRP 18 N 0.25 0.00 0.00 3.16 -0.00 -1.19 -3.43 115.95 114.74 1mm4 h TRP 18 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1mm4 h TRP 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1mm4 h TRP 18 CO -0.00 0.00 0.00 1.04 -0.00 0.00 0.00 178.44 179.48 1mm4 n GLN 19 N -4.32 0.00 -1.85 0.49 6.02 0.43 -4.71 117.38 113.43 1mm4 n GLN 19 Ca -0.02 0.23 -0.40 0.00 -0.01 0.00 0.00 57.00 56.80 1mm4 n GLN 19 Cb 0.09 -1.22 0.01 0.00 1.02 0.00 0.00 30.24 30.14 1mm4 n GLN 19 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1mm4 s GLN 20 N -1.89 3.69 0.50 -1.09 1.11 -0.21 -4.98 119.66 116.79 1mm4 s GLN 20 Ca 0.00 2.34 -0.19 0.00 0.01 0.00 0.00 55.36 57.52 1mm4 s GLN 20 Cb 0.00 -2.63 -0.08 0.00 -1.01 0.00 0.00 33.01 29.29 1mm4 s GLN 20 CO 0.00 -0.79 1.04 -1.25 0.01 0.00 0.00 175.29 174.30 1mm4 s PRO 21 N -2.46 3.72 -0.07 2.91 0.04 -1.26 -4.45 135.00 133.43 1mm4 s PRO 21 Ca 0.61 1.33 0.03 0.00 0.04 0.00 0.00 61.00 63.01 1mm4 s PRO 21 Cb -0.42 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.12 1mm4 s PRO 21 CO 0.54 -0.49 0.79 -1.91 0.04 0.00 0.00 177.00 175.97 1mm4 n GLU 22 N -1.14 0.29 -4.85 4.56 2.13 -1.26 -5.04 120.64 115.34 1mm4 n GLU 22 Ca 0.09 -0.65 -0.28 0.00 0.66 0.00 0.00 57.16 56.98 1mm4 n GLU 22 Cb 0.53 0.41 -0.15 0.00 0.27 0.00 0.00 31.44 32.50 1mm4 n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1mm4 s HIS 23 N 0.03 2.13 -0.35 4.31 3.76 -1.26 -4.73 115.29 119.17 1mm4 s HIS 23 Ca 0.02 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1mm4 s HIS 23 Cb 0.10 -1.28 0.09 0.00 1.11 0.00 0.00 32.58 32.59 1mm4 s HIS 23 CO -0.03 0.10 0.09 0.71 -0.85 0.00 0.00 174.74 174.76 1mm4 s TYR 24 N -0.78 3.54 0.35 1.40 2.02 -0.59 -4.42 117.35 118.87 1mm4 s TYR 24 Ca 0.10 -2.44 -0.11 0.00 -0.37 0.00 0.00 57.07 54.25 1mm4 s TYR 24 Cb -0.09 -2.78 -0.07 0.00 -0.40 0.00 0.00 41.96 38.61 1mm4 s TYR 24 CO 0.02 -0.92 0.71 -0.51 -1.57 0.00 0.00 175.55 173.28 1mm4 s ASP 25 N 1.39 6.59 -0.12 2.29 -0.00 0.43 -1.72 116.67 125.54 1mm4 s ASP 25 Ca 0.04 1.10 -0.01 0.00 -0.00 0.00 0.00 52.55 53.69 1mm4 s ASP 25 Cb -0.21 -2.30 0.03 0.00 -0.00 0.00 0.00 42.92 40.43 1mm4 s ASP 25 CO -0.05 -0.29 -0.06 -0.76 -0.00 0.00 0.00 175.17 174.02 1mm4 s LEU 26 N -3.46 1.18 -0.38 1.23 1.43 -0.28 -2.59 118.68 115.80 1mm4 s LEU 26 Ca 0.51 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 1mm4 s LEU 26 Cb -0.10 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.32 1mm4 s LEU 26 CO 0.26 -0.14 0.53 -0.47 0.23 0.00 0.00 176.35 176.77 1mm4 s TYR 27 N 1.73 3.15 0.12 0.29 5.04 0.43 -2.02 117.35 126.08 1mm4 s TYR 27 Ca 0.04 0.04 0.05 0.00 -2.44 0.00 0.00 57.07 54.76 1mm4 s TYR 27 Cb -0.13 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 39.12 1mm4 s TYR 27 CO -0.08 -0.65 -0.13 0.96 -1.34 0.00 0.00 175.55 174.32 1mm4 s ILE 28 N 2.46 1.24 0.81 3.14 -4.36 -1.07 -2.30 121.20 121.13 1mm4 s ILE 28 Ca 0.19 -1.77 -0.11 0.00 -0.26 0.00 0.00 60.65 58.70 1mm4 s ILE 28 Cb -0.15 -1.56 0.08 0.00 1.25 0.00 0.00 42.46 42.08 1mm4 s ILE 28 CO 0.15 -0.50 1.11 -2.16 0.24 0.00 0.00 174.94 173.78 1mm4 s PRO 29 N -2.88 1.91 0.71 0.37 0.04 -1.26 -1.59 135.00 132.29 1mm4 s PRO 29 Ca 0.10 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 1mm4 s PRO 29 Cb -0.03 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1mm4 s PRO 29 CO 0.02 -1.93 1.21 0.00 0.04 0.00 0.00 177.00 176.35 1mm4 n ALA 30 N -3.69 0.57 -3.50 8.56 0.00 -1.26 -4.47 120.51 116.71 1mm4 n ALA 30 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1mm4 n ALA 30 Cb 0.53 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 1mm4 n ALA 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1mm4 s ILE 31 N -1.68 -0.60 0.35 0.00 1.10 -1.26 -5.03 121.20 114.08 1mm4 s ILE 31 Ca 0.78 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.95 1mm4 s ILE 31 Cb -0.35 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.25 1mm4 s ILE 31 CO 0.45 0.00 0.11 0.35 -2.11 0.00 0.00 174.94 173.74 1mm4 n THR 32 N 5.01 0.00 0.00 4.00 -2.24 -1.26 -5.09 114.28 114.70 1mm4 n THR 32 Ca -0.11 -1.98 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1mm4 n THR 32 Cb 0.52 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1mm4 n THR 32 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1mm4 n TRP 33 N -0.80 0.00 -0.22 4.78 8.01 -1.26 -4.78 117.44 123.18 1mm4 n TRP 33 Ca -0.06 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.06 1mm4 n TRP 33 Cb 0.51 0.02 0.04 0.00 -2.01 0.00 0.00 31.31 29.87 1mm4 n TRP 33 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 1mm4 h HIS 34 N 0.00 0.84 -1.81 -5.99 2.76 -2.06 -3.38 115.15 105.51 1mm4 h HIS 34 Ca 0.00 -0.01 -0.47 0.00 -2.20 0.00 0.00 60.37 57.68 1mm4 h HIS 34 Cb 0.88 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 1mm4 h HIS 34 CO 0.00 0.59 1.25 0.00 -1.30 0.00 0.00 177.93 178.47 1mm4 s ALA 35 N -5.91 2.14 0.01 5.26 0.00 -1.26 -4.50 121.76 117.50 1mm4 s ALA 35 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1mm4 s ALA 35 Cb 0.13 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1mm4 s ALA 35 CO 0.77 -3.99 0.00 2.89 0.00 0.00 0.00 175.76 175.43 1mm4 n ARG 36 N 9.15 0.00 -3.64 0.00 1.85 -1.26 -4.91 116.66 117.85 1mm4 n ARG 36 Ca 0.22 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.74 1mm4 n ARG 36 Cb 0.51 -0.05 -0.08 0.00 -1.05 0.00 0.00 32.46 31.80 1mm4 n ARG 36 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1mm4 n PHE 37 N -2.60 3.80 -2.98 2.89 7.35 -1.26 -5.06 117.46 119.60 1mm4 n PHE 37 Ca 0.00 -4.09 -0.20 0.00 -0.76 0.00 0.00 57.45 52.39 1mm4 n PHE 37 Cb 0.05 -0.94 0.07 0.00 0.35 0.00 0.00 39.48 39.01 1mm4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1mm4 s ALA 38 N -1.63 4.61 -0.07 3.13 0.00 -1.26 -5.03 121.76 121.51 1mm4 s ALA 38 Ca 0.29 -2.16 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 1mm4 s ALA 38 Cb -0.03 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 1mm4 s ALA 38 CO -0.11 -1.01 1.79 1.52 0.00 0.00 0.00 175.76 177.95 1mm4 s TYR 39 N -2.77 1.71 0.09 0.00 1.13 -1.26 -4.99 117.35 111.27 1mm4 s TYR 39 Ca 0.63 0.07 0.10 0.00 -1.41 0.00 0.00 57.07 56.47 1mm4 s TYR 39 Cb -0.05 -4.03 -0.03 0.00 -1.10 0.00 0.00 41.96 36.75 1mm4 s TYR 39 CO 0.40 -4.26 -0.26 0.34 -2.51 0.00 0.00 175.55 169.26 1mm4 s ASP 40 N 4.23 3.17 1.14 -0.18 3.68 -1.26 -5.14 116.67 122.32 1mm4 s ASP 40 Ca 0.80 -0.67 -0.15 0.00 2.13 0.00 0.00 52.55 54.66 1mm4 s ASP 40 Cb -0.35 -0.24 0.22 0.00 -1.45 0.00 0.00 42.92 41.10 1mm4 s ASP 40 CO 0.34 0.21 0.88 0.29 0.13 0.00 0.00 175.17 177.01 1mm4 n LYS 41 N 1.32 -2.23 -2.63 4.34 5.02 -1.26 -4.90 118.16 117.82 1mm4 n LYS 41 Ca -0.18 -1.39 -0.43 0.00 -2.02 0.00 0.00 58.31 54.29 1mm4 n LYS 41 Cb 0.53 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1mm4 n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1mm4 n GLU 42 N -3.83 3.23 -3.62 1.97 1.02 -1.26 -4.88 120.64 113.28 1mm4 n GLU 42 Ca 0.12 -3.38 -0.09 0.00 -0.02 0.00 0.00 57.16 53.79 1mm4 n GLU 42 Cb 0.45 -3.40 -0.02 0.00 -0.02 0.00 0.00 31.44 28.45 1mm4 n GLU 42 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1mm4 s LYS 43 N 3.64 1.40 0.64 3.49 1.02 -1.26 -5.17 119.74 123.50 1mm4 s LYS 43 Ca 0.51 -0.65 -0.11 0.00 0.02 0.00 0.00 55.97 55.74 1mm4 s LYS 43 Cb 0.03 0.55 -0.02 0.00 -0.52 0.00 0.00 37.83 37.87 1mm4 s LYS 43 CO 0.06 -0.63 1.05 0.99 -0.92 0.00 0.00 175.35 175.90 1mm4 s THR 44 N -3.69 4.41 -0.11 2.17 2.01 -1.26 -5.05 115.64 114.13 1mm4 s THR 44 Ca 0.06 0.78 -0.17 0.00 0.31 0.00 0.00 61.69 62.67 1mm4 s THR 44 Cb -0.03 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1mm4 s THR 44 CO -0.04 -1.02 0.43 -0.62 -0.69 0.00 0.00 174.62 172.68 1mm4 s ASP 45 N -4.18 6.66 0.11 3.53 -1.08 -1.26 -5.08 116.67 115.37 1mm4 s ASP 45 Ca 0.56 0.78 0.10 0.00 -0.52 0.00 0.00 52.55 53.47 1mm4 s ASP 45 Cb -0.11 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 39.05 1mm4 s ASP 45 CO 0.54 0.07 -0.25 -0.60 0.52 0.00 0.00 175.17 175.46 1mm4 s ARG 46 N 0.31 1.34 -0.99 4.34 3.52 -1.26 -5.08 118.95 121.12 1mm4 s ARG 46 Ca 0.24 -1.24 -0.05 0.00 -0.13 0.00 0.00 55.73 54.55 1mm4 s ARG 46 Cb -0.15 -1.71 0.25 0.00 -1.56 0.00 0.00 34.95 31.78 1mm4 s ARG 46 CO 0.10 0.41 0.93 0.66 -0.81 0.00 0.00 175.30 176.59 1mm4 n TYR 47 N 1.10 4.66 -2.14 5.12 4.02 -1.26 -5.06 117.16 123.61 1mm4 n TYR 47 Ca -0.18 -4.03 -0.39 0.00 -0.01 0.00 0.00 57.90 53.28 1mm4 n TYR 47 Cb 0.53 -1.38 -0.01 0.00 -0.02 0.00 0.00 39.34 38.46 1mm4 n TYR 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1mm4 s ASN 48 N 0.42 6.47 -0.15 7.72 4.22 -1.26 -5.03 114.94 127.34 1mm4 s ASN 48 Ca 0.29 2.57 0.02 0.00 -2.14 0.00 0.00 52.86 53.59 1mm4 s ASN 48 Cb -0.08 -2.63 0.02 0.00 1.28 0.00 0.00 41.25 39.83 1mm4 s ASN 48 CO -0.11 -0.73 -0.19 -1.61 -2.04 0.00 0.00 177.10 172.42 1mm4 s GLU 49 N -2.15 2.77 0.06 3.55 0.41 -1.26 -5.12 118.70 116.95 1mm4 s GLU 49 Ca 0.55 -0.75 0.06 0.00 -0.41 0.00 0.00 54.97 54.42 1mm4 s GLU 49 Cb -0.36 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 29.62 1mm4 s GLU 49 CO 0.47 -0.12 -0.16 1.03 -0.49 0.00 0.00 175.26 175.98 1mm4 s ARG 50 N 1.10 0.98 0.29 1.61 0.52 -1.26 -5.13 118.95 117.06 1mm4 s ARG 50 Ca -0.01 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.00 1mm4 s ARG 50 Cb -0.14 -1.04 -0.10 0.00 0.52 0.00 0.00 34.95 34.19 1mm4 s ARG 50 CO -0.07 0.25 1.17 -1.25 0.02 0.00 0.00 175.30 175.41 1mm4 s PRO 51 N -1.47 4.55 -0.28 3.54 0.04 -1.26 -5.04 135.00 135.08 1mm4 s PRO 51 Ca 0.02 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.89 1mm4 s PRO 51 Cb -0.09 -3.16 0.12 0.00 0.04 0.00 0.00 34.50 31.41 1mm4 s PRO 51 CO 0.02 0.08 0.61 -0.46 0.04 0.00 0.00 177.00 177.29 1mm4 s TRP 52 N -1.09 -1.22 0.00 0.56 -0.11 -1.26 -4.97 118.94 110.85 1mm4 s TRP 52 Ca 0.46 2.17 0.00 0.00 1.22 0.00 0.00 56.10 59.95 1mm4 s TRP 52 Cb -0.34 0.70 0.00 0.00 -1.50 0.00 0.00 33.47 32.33 1mm4 s TRP 52 CO 0.44 -0.62 0.00 0.41 -4.62 0.00 0.00 176.95 172.56 1mm4 n GLY 53 N 5.34 0.76 0.00 5.86 0.00 -1.23 -4.93 105.19 110.98 1mm4 n GLY 53 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1mm4 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm4 n GLY 54 N 2.73 2.42 3.33 -0.02 0.00 -1.07 -5.03 105.19 107.56 1mm4 n GLY 54 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1mm4 n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mm4 s GLY 55 N 0.00 1.39 -0.17 -0.02 0.00 -0.97 -1.72 107.32 105.82 1mm4 s GLY 55 Ca 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 44.72 43.24 1mm4 s GLY 55 CO 0.00 -1.38 0.43 -0.11 0.00 0.00 0.00 173.10 172.03 1mm4 s PHE 56 N -1.33 -0.61 0.00 1.90 -0.71 -1.07 -0.43 117.98 115.72 1mm4 s PHE 56 Ca 0.11 1.31 0.00 0.00 -1.04 0.00 0.00 56.93 57.31 1mm4 s PHE 56 Cb -0.09 0.27 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 1mm4 s PHE 56 CO 0.06 -0.34 0.00 0.41 -1.34 0.00 0.00 175.22 174.01 1mm4 n GLY 57 N 4.11 2.93 3.30 1.99 0.00 -1.07 -2.39 105.19 114.06 1mm4 n GLY 57 Ca -0.22 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 1mm4 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mm4 s LEU 58 N 0.00 1.42 0.11 0.99 1.02 -0.70 -0.43 118.68 121.09 1mm4 s LEU 58 Ca 0.00 -1.58 0.02 0.00 0.02 0.00 0.00 54.13 52.58 1mm4 s LEU 58 Cb 0.00 0.68 -0.04 0.00 0.02 0.00 0.00 46.19 46.85 1mm4 s LEU 58 CO 0.00 -1.04 -0.06 -0.44 0.02 0.00 0.00 176.35 174.84 1mm4 s SER 59 N -3.28 1.18 0.12 2.29 0.01 -1.26 -2.59 113.70 110.18 1mm4 s SER 59 Ca 0.38 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 56.62 1mm4 s SER 59 Cb 0.03 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1mm4 s SER 59 CO 0.21 -0.47 -0.03 -0.13 0.41 0.00 0.00 173.24 173.24 1mm4 s ARG 60 N -3.84 0.93 -0.09 12.44 0.52 0.10 -4.94 118.95 124.06 1mm4 s ARG 60 Ca 0.14 -1.41 0.02 0.00 -0.52 0.00 0.00 55.73 53.96 1mm4 s ARG 60 Cb 0.05 -0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 1mm4 s ARG 60 CO -0.03 -0.09 -0.16 -0.46 0.02 0.00 0.00 175.30 174.57 1mm4 s TRP 61 N -3.70 2.70 -0.22 -0.53 -0.11 -1.26 -1.96 118.94 113.85 1mm4 s TRP 61 Ca 0.17 -0.55 -0.09 0.00 1.22 0.00 0.00 56.10 56.85 1mm4 s TRP 61 Cb 0.06 -1.73 -0.04 0.00 -1.50 0.00 0.00 33.47 30.25 1mm4 s TRP 61 CO -0.01 -0.12 0.12 -0.51 -4.62 0.00 0.00 176.95 171.81 1mm4 s ASP 62 N -0.04 5.87 0.63 5.86 1.11 0.40 -4.96 116.67 125.53 1mm4 s ASP 62 Ca -0.04 0.08 0.39 0.00 0.18 0.00 0.00 52.55 53.16 1mm4 s ASP 62 Cb -0.14 -2.04 2.11 0.00 1.07 0.00 0.00 42.92 43.91 1mm4 s ASP 62 CO 0.04 0.10 2.18 -0.33 1.18 0.00 0.00 175.17 178.35 1mm4 h GLU 63 N 7.26 0.00 -0.91 8.23 5.08 -2.00 -0.55 114.58 131.69 1mm4 h GLU 63 Ca -0.38 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 1mm4 h GLU 63 Cb 1.17 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1mm4 h GLU 63 CO 0.67 0.00 0.23 1.17 -1.00 0.00 0.00 179.01 180.09 1mm4 n LYS 64 N -2.94 2.34 -2.92 2.33 4.81 -1.26 -4.86 118.16 115.66 1mm4 n LYS 64 Ca -0.03 -1.79 -0.11 0.00 -0.87 0.00 0.00 58.31 55.52 1mm4 n LYS 64 Cb 0.14 -1.79 0.06 0.00 0.02 0.00 0.00 35.03 33.46 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mm4 n GLY 65 N -0.14 -0.07 3.19 3.14 0.00 -0.24 -5.05 105.19 106.02 1mm4 n GLY 65 Ca 0.28 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1mm4 n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm4 s ASN 66 N -3.86 1.58 -0.20 1.61 0.01 -1.08 -4.60 114.94 108.39 1mm4 s ASN 66 Ca 0.00 -0.78 0.01 0.00 -0.71 0.00 0.00 52.86 51.38 1mm4 s ASN 66 Cb -0.00 -0.01 0.04 0.00 0.41 0.00 0.00 41.25 41.68 1mm4 s ASN 66 CO 0.47 -0.21 -0.13 0.86 -1.51 0.00 0.00 177.10 176.57 1mm4 s TRP 67 N -2.21 2.66 -0.20 2.20 -0.00 -0.04 -0.46 118.94 120.89 1mm4 s TRP 67 Ca 0.05 -1.73 -0.14 0.00 -0.00 0.00 0.00 56.10 54.28 1mm4 s TRP 67 Cb -0.04 -1.76 -0.04 0.00 -0.00 0.00 0.00 33.47 31.62 1mm4 s TRP 67 CO 0.01 -0.78 0.32 -1.58 -0.00 0.00 0.00 176.95 174.92 1mm4 s HIS 68 N 1.32 3.37 -0.21 5.86 5.65 -0.83 -2.49 115.29 127.97 1mm4 s HIS 68 Ca -0.01 0.51 -0.01 0.00 0.25 0.00 0.00 55.06 55.81 1mm4 s HIS 68 Cb -0.16 -2.43 0.06 0.00 -1.18 0.00 0.00 32.58 28.87 1mm4 s HIS 68 CO -0.09 0.05 -0.02 0.20 -0.65 0.00 0.00 174.74 174.23 1mm4 s GLY 69 N 0.94 1.02 -0.06 1.59 0.00 -1.00 -0.72 107.32 109.09 1mm4 s GLY 69 Ca 0.16 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.88 1mm4 s GLY 69 CO 0.06 1.09 -0.12 0.48 0.00 0.00 0.00 173.10 174.62 1mm4 s LEU 70 N 1.60 1.62 -0.01 0.66 0.05 -1.07 -2.19 118.68 119.34 1mm4 s LEU 70 Ca -0.03 -0.28 -0.21 0.00 0.05 0.00 0.00 54.13 53.66 1mm4 s LEU 70 Cb -0.17 -0.79 0.04 0.00 -2.05 0.00 0.00 46.19 43.22 1mm4 s LEU 70 CO -0.07 0.03 0.46 -0.72 -0.55 0.00 0.00 176.35 175.49 1mm4 s TYR 71 N 0.68 -0.36 -0.21 3.48 -0.85 -0.96 -1.73 117.35 117.40 1mm4 s TYR 71 Ca -0.14 0.55 -0.06 0.00 -0.52 0.00 0.00 57.07 56.90 1mm4 s TYR 71 Cb -0.16 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 1mm4 s TYR 71 CO 0.03 -0.51 0.02 0.00 -1.52 0.00 0.00 175.55 173.58 1mm4 s ALA 72 N -1.53 3.12 0.60 9.51 0.00 -1.01 -1.71 121.76 130.74 1mm4 s ALA 72 Ca -0.11 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1mm4 s ALA 72 Cb -0.03 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.30 1mm4 s ALA 72 CO 0.05 -0.15 0.84 -1.64 0.00 0.00 0.00 175.76 174.86 1mm4 s MET 73 N 1.00 2.32 -0.15 0.00 -1.94 0.39 -2.59 119.30 118.33 1mm4 s MET 73 Ca 0.02 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 53.06 1mm4 s MET 73 Cb -0.14 -2.43 0.04 0.00 2.01 0.00 0.00 34.83 34.31 1mm4 s MET 73 CO 0.02 -0.92 0.38 0.00 -0.01 0.00 0.00 175.02 174.49 1mm4 s ALA 74 N -2.89 -0.95 0.14 3.03 0.00 -0.70 -0.42 121.76 119.98 1mm4 s ALA 74 Ca 0.60 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.81 1mm4 s ALA 74 Cb -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1mm4 s ALA 74 CO 0.40 -0.20 -0.22 -0.06 0.00 0.00 0.00 175.76 175.69 1mm4 s PHE 75 N 0.44 2.00 -0.37 0.00 0.40 -1.07 -2.60 117.98 116.78 1mm4 s PHE 75 Ca -0.02 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 55.80 1mm4 s PHE 75 Cb -0.04 -1.04 0.03 0.00 0.51 0.00 0.00 43.02 42.48 1mm4 s PHE 75 CO -0.02 0.33 0.19 0.21 0.70 0.00 0.00 175.22 176.62 1mm4 s LYS 76 N -2.35 2.78 0.97 0.44 2.36 -1.26 -2.38 119.74 120.30 1mm4 s LYS 76 Ca 0.13 -1.11 -0.11 0.00 -2.55 0.00 0.00 55.97 52.34 1mm4 s LYS 76 Cb -0.08 -3.68 0.18 0.00 -1.05 0.00 0.00 37.83 33.20 1mm4 s LYS 76 CO 0.06 -0.70 1.12 -3.47 1.55 0.00 0.00 175.35 173.92 1mm4 n ASP 77 N 4.96 -0.09 0.05 1.43 -0.08 -1.26 -4.90 116.55 116.66 1mm4 n ASP 77 Ca -0.12 0.30 0.11 0.00 -1.51 0.00 0.00 54.79 53.57 1mm4 n ASP 77 Cb 0.46 -1.44 0.01 0.00 2.34 0.00 0.00 41.12 42.49 1mm4 n ASP 77 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1mm4 n SER 78 N -4.42 0.62 -1.32 1.67 7.64 -1.26 -4.46 113.62 112.08 1mm4 n SER 78 Ca 0.10 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.96 1mm4 n SER 78 Cb 0.52 0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 64.47 1mm4 n SER 78 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1mm4 n TRP 79 N -2.21 -0.08 -3.03 1.43 4.27 -1.26 -5.13 117.44 111.43 1mm4 n TRP 79 Ca 0.01 -0.63 0.00 0.00 -3.89 0.00 0.00 57.50 52.99 1mm4 n TRP 79 Cb 0.48 0.33 0.00 0.00 -1.36 0.00 0.00 31.31 30.76 1mm4 n TRP 79 CO 0.00 0.00 0.00 0.09 -2.29 0.00 0.00 177.69 175.49 1mm4 n ASN 80 N 0.05 0.00 -4.94 -0.67 3.02 -1.26 -5.17 115.26 106.28 1mm4 n ASN 80 Ca -0.15 -0.70 -0.24 0.00 -0.03 0.00 0.00 54.58 53.46 1mm4 n ASN 80 Cb 0.86 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.04 1mm4 n ASN 80 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1mm4 s LYS 81 N -1.10 3.18 0.44 3.52 -2.85 -1.26 -4.46 119.74 117.21 1mm4 s LYS 81 Ca 0.00 -0.31 -0.26 0.00 -1.00 0.00 0.00 55.97 54.41 1mm4 s LYS 81 Cb 0.00 -2.51 -0.09 0.00 -2.06 0.00 0.00 37.83 33.17 1mm4 s LYS 81 CO 0.00 -0.25 1.45 -1.58 0.10 0.00 0.00 175.35 175.07 1mm4 s TRP 82 N -2.60 2.45 -0.16 1.78 0.51 -1.26 -4.27 118.94 115.39 1mm4 s TRP 82 Ca 0.47 1.23 -0.00 0.00 -2.12 0.00 0.00 56.10 55.68 1mm4 s TRP 82 Cb -0.10 -3.96 -0.00 0.00 -0.81 0.00 0.00 33.47 28.59 1mm4 s TRP 82 CO 0.39 -3.02 -0.14 -1.21 -0.51 0.00 0.00 176.95 172.46 1mm4 s GLU 83 N -2.40 3.24 0.62 4.98 2.02 -1.00 -4.99 118.70 121.16 1mm4 s GLU 83 Ca 0.60 -0.73 -0.13 0.00 0.02 0.00 0.00 54.97 54.72 1mm4 s GLU 83 Cb -0.45 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 1mm4 s GLU 83 CO 0.58 -0.00 1.04 -1.25 0.02 0.00 0.00 175.26 175.65 1mm4 s PRO 84 N 0.87 3.37 -0.02 0.39 0.04 -1.26 -2.60 135.00 135.79 1mm4 s PRO 84 Ca -0.04 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 1mm4 s PRO 84 Cb -0.15 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1mm4 s PRO 84 CO -0.01 -0.75 0.10 0.42 0.04 0.00 0.00 177.00 176.80 1mm4 s ILE 85 N -2.81 0.03 0.05 0.56 1.09 0.44 -4.50 121.20 116.06 1mm4 s ILE 85 Ca 0.59 -0.23 0.06 0.00 -1.10 0.00 0.00 60.65 59.97 1mm4 s ILE 85 Cb -0.13 -0.22 -0.03 0.00 -1.06 0.00 0.00 42.46 41.02 1mm4 s ILE 85 CO 0.45 -0.13 -0.13 0.00 -0.10 0.00 0.00 174.94 175.03 1mm4 s ALA 86 N -0.39 2.80 -0.08 9.38 0.00 -1.04 -0.46 121.76 131.97 1mm4 s ALA 86 Ca -0.05 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 1mm4 s ALA 86 Cb -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.24 1mm4 s ALA 86 CO 0.00 0.60 0.21 0.20 0.00 0.00 0.00 175.76 176.77 1mm4 s GLY 87 N -1.67 -0.15 -0.08 0.00 0.00 -0.70 -2.05 107.32 102.68 1mm4 s GLY 87 Ca 0.17 0.66 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 1mm4 s GLY 87 CO 0.08 0.65 0.18 -0.19 0.00 0.00 0.00 173.10 173.83 1mm4 s TYR 88 N 0.35 -0.23 0.01 1.90 1.51 -0.54 -2.26 117.35 118.09 1mm4 s TYR 88 Ca -0.02 0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 56.53 1mm4 s TYR 88 Cb -0.03 -0.03 0.01 0.00 -0.11 0.00 0.00 41.96 41.79 1mm4 s TYR 88 CO -0.01 -0.19 0.22 0.20 -1.11 0.00 0.00 175.55 174.65 1mm4 s GLY 89 N 1.21 -0.03 -0.12 0.71 0.00 -0.93 -0.68 107.32 107.48 1mm4 s GLY 89 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.59 1mm4 s GLY 89 CO -0.07 -0.22 -0.09 0.86 0.00 0.00 0.00 173.10 173.59 1mm4 s TRP 90 N -1.85 1.60 0.04 1.90 -0.00 -0.65 -2.36 118.94 117.61 1mm4 s TRP 90 Ca -0.10 -0.83 0.00 0.00 -0.00 0.00 0.00 56.10 55.17 1mm4 s TRP 90 Cb -0.04 -1.30 -0.03 0.00 -0.00 0.00 0.00 33.47 32.10 1mm4 s TRP 90 CO 0.00 -0.54 -0.04 -1.21 -0.00 0.00 0.00 176.95 175.16 1mm4 s GLU 91 N 1.67 0.45 -0.18 5.86 8.01 -1.04 -1.95 118.70 131.53 1mm4 s GLU 91 Ca 0.05 -0.82 -0.04 0.00 0.01 0.00 0.00 54.97 54.16 1mm4 s GLU 91 Cb -0.13 0.03 -0.02 0.00 -4.31 0.00 0.00 34.13 29.70 1mm4 s GLU 91 CO -0.09 -0.04 -0.02 -1.12 0.01 0.00 0.00 175.26 174.00 1mm4 s SER 92 N -1.92 4.77 0.07 -0.19 0.01 -0.56 -0.86 113.70 115.02 1mm4 s SER 92 Ca -0.08 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.00 1mm4 s SER 92 Cb -0.05 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1mm4 s SER 92 CO -0.03 0.11 0.24 0.42 0.41 0.00 0.00 173.24 174.39 1mm4 s THR 93 N 0.69 5.36 0.08 1.44 -4.23 -1.26 -2.31 115.64 115.40 1mm4 s THR 93 Ca -0.01 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 1mm4 s THR 93 Cb -0.14 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 1mm4 s THR 93 CO 0.02 0.12 -0.09 0.26 -0.54 0.00 0.00 174.62 174.40 1mm4 s TRP 94 N -1.53 0.89 -0.29 3.99 0.23 0.05 -4.93 118.94 117.35 1mm4 s TRP 94 Ca 0.36 -0.67 -0.01 0.00 -2.03 0.00 0.00 56.10 53.75 1mm4 s TRP 94 Cb -0.13 -0.51 0.09 0.00 0.03 0.00 0.00 33.47 32.95 1mm4 s TRP 94 CO 0.27 -0.07 0.08 0.50 0.96 0.00 0.00 176.95 178.70 1mm4 s ARG 95 N -2.62 0.74 0.00 4.98 3.00 -1.26 -2.21 118.95 121.57 1mm4 s ARG 95 Ca 0.02 -0.97 0.00 0.00 -1.00 0.00 0.00 55.73 53.78 1mm4 s ARG 95 Cb -0.03 -2.02 0.00 0.00 0.00 0.00 0.00 34.95 32.90 1mm4 s ARG 95 CO -0.01 -0.92 0.00 -0.35 0.00 0.00 0.00 175.30 174.02 1mm4 n PRO 96 N 4.88 -0.74 -0.11 5.12 -0.04 -1.26 -5.02 135.00 137.83 1mm4 n PRO 96 Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 1mm4 n PRO 96 Cb 0.43 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 1mm4 n PRO 96 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mm4 n LEU 97 N 0.00 1.14 0.23 1.53 4.32 -1.26 -4.32 117.00 118.64 1mm4 n LEU 97 Ca 0.00 -0.04 0.07 0.00 -0.02 0.00 0.00 56.01 56.02 1mm4 n LEU 97 Cb 0.00 -0.04 0.61 0.00 -1.62 0.00 0.00 43.42 42.37 1mm4 n LEU 97 CO 0.00 0.66 1.08 0.00 -1.22 0.00 0.00 177.39 177.91 1mm4 h ALA 98 N 0.62 1.96 -2.85 -1.18 0.00 -2.00 -3.41 119.26 112.39 1mm4 h ALA 98 Ca -0.55 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 53.71 1mm4 h ALA 98 Cb 2.11 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.83 1mm4 h ALA 98 CO -0.01 0.04 -0.50 -0.51 0.00 0.00 0.00 179.25 178.27 1mm4 s ASP 99 N -7.02 6.33 -0.07 0.00 1.01 -1.26 -5.01 116.67 110.66 1mm4 s ASP 99 Ca -0.05 0.31 0.07 0.00 0.71 0.00 0.00 52.55 53.59 1mm4 s ASP 99 Cb 0.17 -1.97 -0.10 0.00 1.01 0.00 0.00 42.92 42.03 1mm4 s ASP 99 CO 0.68 0.23 0.05 1.21 0.21 0.00 0.00 175.17 177.56 1mm4 n GLU 100 N 0.75 2.32 -1.75 8.23 2.13 -1.26 -4.75 120.64 126.31 1mm4 n GLU 100 Ca -0.09 -0.02 0.03 0.00 0.66 0.00 0.00 57.16 57.74 1mm4 n GLU 100 Cb 0.52 -1.20 0.02 0.00 0.27 0.00 0.00 31.44 31.06 1mm4 n GLU 100 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1mm4 n ASN 101 N -2.20 1.03 -3.97 4.31 4.05 -1.26 -5.06 115.26 112.16 1mm4 n ASN 101 Ca -0.11 -2.01 -0.28 0.00 0.45 0.00 0.00 54.58 52.64 1mm4 n ASN 101 Cb 0.66 -0.31 -0.17 0.00 1.23 0.00 0.00 39.78 41.20 1mm4 n ASN 101 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1mm4 s PHE 102 N -0.72 1.80 0.10 1.20 0.40 -1.26 -3.98 117.98 115.52 1mm4 s PHE 102 Ca 0.31 -0.94 0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1mm4 s PHE 102 Cb 0.37 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1mm4 s PHE 102 CO -0.14 -0.56 0.11 -1.01 0.70 0.00 0.00 175.22 174.32 1mm4 s HIS 103 N 1.51 3.21 -0.08 0.36 3.76 -0.94 -4.68 115.29 118.44 1mm4 s HIS 103 Ca 0.03 0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 54.98 1mm4 s HIS 103 Cb -0.13 -1.60 0.04 0.00 1.11 0.00 0.00 32.58 32.00 1mm4 s HIS 103 CO -0.08 0.53 0.16 -1.17 -0.85 0.00 0.00 174.74 173.32 1mm4 s LEU 104 N -2.61 0.34 0.17 0.89 2.96 -0.94 -2.59 118.68 116.90 1mm4 s LEU 104 Ca 0.30 0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 54.37 1mm4 s LEU 104 Cb -0.12 0.33 0.03 0.00 0.50 0.00 0.00 46.19 46.93 1mm4 s LEU 104 CO 0.23 -0.19 0.47 -0.83 -1.32 0.00 0.00 176.35 174.70 1mm4 s GLY 105 N 1.70 -0.09 0.10 7.98 0.00 -0.41 -0.77 107.32 115.84 1mm4 s GLY 105 Ca -0.03 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.47 1mm4 s GLY 105 CO -0.06 -0.33 -0.06 1.08 0.00 0.00 0.00 173.10 173.73 1mm4 s LEU 106 N -2.86 2.49 0.00 0.66 1.43 -0.98 -1.02 118.68 118.40 1mm4 s LEU 106 Ca 0.08 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 1mm4 s LEU 106 Cb 0.00 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.15 1mm4 s LEU 106 CO -0.05 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.67 1mm4 n GLY 107 N -0.06 -0.95 3.23 -3.19 0.00 -0.67 -1.49 105.19 102.05 1mm4 n GLY 107 Ca -0.12 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1mm4 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm4 s PHE 108 N -3.00 2.60 -0.30 1.61 0.08 -0.82 -1.71 117.98 116.43 1mm4 s PHE 108 Ca 0.00 -1.06 -0.06 0.00 0.12 0.00 0.00 56.93 55.93 1mm4 s PHE 108 Cb 0.00 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1mm4 s PHE 108 CO 0.00 -0.43 0.07 0.95 -0.10 0.00 0.00 175.22 175.71 1mm4 s THR 109 N 0.41 3.81 0.24 0.64 -4.23 -0.59 -1.64 115.64 114.28 1mm4 s THR 109 Ca -0.17 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1mm4 s THR 109 Cb -0.17 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1mm4 s THR 109 CO 0.07 0.01 0.22 0.00 -0.54 0.00 0.00 174.62 174.39 1mm4 s ALA 110 N 1.45 3.66 -0.24 3.99 0.00 0.15 -2.49 121.76 128.27 1mm4 s ALA 110 Ca 0.01 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 1mm4 s ALA 110 Cb -0.18 -1.39 0.07 0.00 0.00 0.00 0.00 23.12 21.62 1mm4 s ALA 110 CO 0.02 0.27 0.60 0.20 0.00 0.00 0.00 175.76 176.85 1mm4 s GLY 111 N -3.81 -0.54 -0.03 0.00 0.00 -0.12 -1.47 107.32 101.35 1mm4 s GLY 111 Ca 0.33 2.13 0.05 0.00 0.00 0.00 0.00 44.72 47.23 1mm4 s GLY 111 CO 0.26 2.20 -0.18 0.54 0.00 0.00 0.00 173.10 175.91 1mm4 s VAL 112 N 1.61 2.74 0.27 1.40 0.11 -0.87 -0.76 120.40 124.91 1mm4 s VAL 112 Ca -0.10 -0.91 0.12 0.00 -2.93 0.00 0.00 61.98 58.16 1mm4 s VAL 112 Cb -0.06 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1mm4 s VAL 112 CO -0.18 0.54 -0.20 0.42 -3.33 0.00 0.00 175.10 172.36 1mm4 s THR 113 N -0.73 2.47 -0.02 5.04 -4.23 -1.07 -2.50 115.64 114.60 1mm4 s THR 113 Ca 0.12 -2.37 0.05 0.00 -1.18 0.00 0.00 61.69 58.30 1mm4 s THR 113 Cb -0.10 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 1mm4 s THR 113 CO 0.01 -0.37 -0.15 0.00 -0.54 0.00 0.00 174.62 173.56 1mm4 s ALA 114 N -2.43 2.66 -0.21 3.99 0.00 -1.26 -0.43 121.76 124.08 1mm4 s ALA 114 Ca 0.29 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 1mm4 s ALA 114 Cb -0.05 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.23 1mm4 s ALA 114 CO 0.14 0.57 0.53 1.03 0.00 0.00 0.00 175.76 178.03 1mm4 s ARG 115 N -1.02 0.59 -0.66 0.00 0.52 -1.26 -4.98 118.95 112.13 1mm4 s ARG 115 Ca 0.13 0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 56.16 1mm4 s ARG 115 Cb -0.11 0.21 0.44 0.00 0.52 0.00 0.00 34.95 36.01 1mm4 s ARG 115 CO 0.03 -0.10 1.96 -0.25 0.02 0.00 0.00 175.30 176.95 1mm4 n ASP 116 N 3.35 7.43 -4.37 0.23 9.92 -1.26 -4.54 116.55 127.32 1mm4 n ASP 116 Ca -0.17 -3.79 -0.41 0.00 -0.53 0.00 0.00 54.79 49.89 1mm4 n ASP 116 Cb 0.56 -0.94 -0.11 0.00 -0.64 0.00 0.00 41.12 40.00 1mm4 n ASP 116 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1mm4 s ASN 117 N -1.88 5.77 0.00 -2.24 0.01 -1.26 -4.83 114.94 110.51 1mm4 s ASN 117 Ca 0.62 -1.05 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1mm4 s ASN 117 Cb 0.49 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 40.11 1mm4 s ASN 117 CO -0.07 -0.42 0.00 1.87 -1.51 0.00 0.00 177.10 176.98 1mm4 n TRP 118 N 5.01 0.00 -2.68 2.20 -0.00 -1.26 -4.73 117.44 115.98 1mm4 n TRP 118 Ca -0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.16 1mm4 n TRP 118 Cb 0.46 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.86 1mm4 n TRP 118 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1mm4 s ASN 119 N -0.90 4.58 -0.11 5.87 -0.87 -1.26 -5.05 114.94 117.21 1mm4 s ASN 119 Ca 0.00 -0.42 0.19 0.00 -1.57 0.00 0.00 52.86 51.06 1mm4 s ASN 119 Cb 0.00 -0.05 0.43 0.00 -0.02 0.00 0.00 41.25 41.61 1mm4 s ASN 119 CO 0.00 -1.69 1.19 -1.22 -2.57 0.00 0.00 177.10 172.81 1mm4 n TYR 120 N -2.67 0.18 -4.27 2.20 4.02 -1.26 -4.51 117.16 110.84 1mm4 n TYR 120 Ca 0.14 -1.05 -0.34 0.00 -0.01 0.00 0.00 57.90 56.65 1mm4 n TYR 120 Cb 0.61 -0.20 -0.13 0.00 -0.02 0.00 0.00 39.34 39.60 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1mm4 s ILE 121 N -1.65 3.80 0.98 -0.72 -1.09 -1.26 -5.00 121.20 116.26 1mm4 s ILE 121 Ca 0.36 -0.38 -0.13 0.00 -2.23 0.00 0.00 60.65 58.27 1mm4 s ILE 121 Cb 0.38 -2.68 0.08 0.00 -1.58 0.00 0.00 42.46 38.65 1mm4 s ILE 121 CO -0.12 0.47 0.52 -2.65 -1.23 0.00 0.00 174.94 171.93 1mm4 n PRO 122 N 3.90 -0.62 -3.64 2.79 -0.02 -1.26 -4.78 135.00 131.37 1mm4 n PRO 122 Ca -0.17 -0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 60.79 1mm4 n PRO 122 Cb 0.52 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.98 1mm4 n PRO 122 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mm4 s LEU 123 N -2.42 5.52 0.69 2.45 1.02 0.43 -4.89 118.68 121.47 1mm4 s LEU 123 Ca 0.59 -3.21 -0.13 0.00 0.02 0.00 0.00 54.13 51.39 1mm4 s LEU 123 Cb -0.20 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.11 1mm4 s LEU 123 CO 0.65 -0.31 1.10 -2.16 0.02 0.00 0.00 176.35 175.65 1mm4 s PRO 124 N -0.60 2.71 -0.07 1.29 0.04 -1.26 -2.59 135.00 134.51 1mm4 s PRO 124 Ca 0.22 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 1mm4 s PRO 124 Cb -0.14 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1mm4 s PRO 124 CO -0.08 -1.31 0.42 0.08 0.04 0.00 0.00 177.00 176.15 1mm4 s VAL 125 N -2.57 0.03 -0.05 -0.36 1.01 0.06 -4.92 120.40 113.60 1mm4 s VAL 125 Ca 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1mm4 s VAL 125 Cb -0.19 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1mm4 s VAL 125 CO 0.46 -0.12 -0.04 -0.22 0.00 0.00 0.00 175.10 175.18 1mm4 s LEU 126 N -0.74 1.16 -0.11 3.92 0.20 -1.26 -0.95 118.68 120.90 1mm4 s LEU 126 Ca -0.08 -0.13 -0.09 0.00 0.69 0.00 0.00 54.13 54.51 1mm4 s LEU 126 Cb -0.04 -0.48 0.03 0.00 -0.43 0.00 0.00 46.19 45.28 1mm4 s LEU 126 CO 0.04 -0.09 0.28 -0.22 -0.29 0.00 0.00 176.35 176.07 1mm4 s LEU 127 N 1.20 0.85 0.30 -0.68 2.96 -1.04 -5.02 118.68 117.24 1mm4 s LEU 127 Ca -0.07 0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 1mm4 s LEU 127 Cb -0.14 0.96 -0.10 0.00 0.50 0.00 0.00 46.19 47.41 1mm4 s LEU 127 CO -0.02 -0.11 1.38 -2.16 -1.32 0.00 0.00 176.35 174.13 1mm4 s PRO 128 N 0.28 4.29 0.02 0.98 0.04 -1.26 -1.54 135.00 137.82 1mm4 s PRO 128 Ca -0.01 2.29 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 1mm4 s PRO 128 Cb -0.03 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 1mm4 s PRO 128 CO -0.01 -0.33 0.10 -1.17 0.04 0.00 0.00 177.00 175.63 1mm4 s LEU 129 N -1.15 1.75 -0.03 -3.56 0.20 -0.69 -1.99 118.68 113.21 1mm4 s LEU 129 Ca 0.54 -0.42 0.07 0.00 0.69 0.00 0.00 54.13 55.01 1mm4 s LEU 129 Cb -0.41 0.59 -0.02 0.00 -0.43 0.00 0.00 46.19 45.92 1mm4 s LEU 129 CO 0.49 -0.45 -0.25 0.00 -0.29 0.00 0.00 176.35 175.85 1mm4 s ALA 130 N -2.10 2.18 -0.07 5.97 0.00 -0.05 -1.68 121.76 126.02 1mm4 s ALA 130 Ca -0.09 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1mm4 s ALA 130 Cb -0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1mm4 s ALA 130 CO -0.02 0.51 0.01 -1.54 0.00 0.00 0.00 175.76 174.71 1mm4 s SER 131 N -0.52 5.28 -0.08 0.00 1.04 -0.19 -1.54 113.70 117.69 1mm4 s SER 131 Ca 0.07 0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.61 1mm4 s SER 131 Cb -0.11 -1.48 0.04 0.00 0.10 0.00 0.00 66.02 64.57 1mm4 s SER 131 CO 0.00 0.36 0.16 0.54 0.98 0.00 0.00 173.24 175.29 1mm4 s VAL 132 N -0.93 -0.17 -0.33 5.02 0.11 -0.51 -1.29 120.40 122.31 1mm4 s VAL 132 Ca 0.15 0.26 -0.18 0.00 -2.93 0.00 0.00 61.98 59.28 1mm4 s VAL 132 Cb -0.11 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1mm4 s VAL 132 CO 0.04 0.11 0.49 -0.83 -3.33 0.00 0.00 175.10 171.58 1mm4 s GLY 133 N 1.76 1.83 -0.20 6.54 0.00 -1.07 -0.60 107.32 115.58 1mm4 s GLY 133 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1mm4 s GLY 133 CO -0.06 1.22 -0.12 -0.47 0.00 0.00 0.00 173.10 173.67 1mm4 s TYR 134 N 2.32 2.54 0.00 1.90 6.14 -1.04 -2.22 117.35 127.00 1mm4 s TYR 134 Ca 0.18 -1.67 0.00 0.00 0.64 0.00 0.00 57.07 56.22 1mm4 s TYR 134 Cb -0.16 -1.70 0.00 0.00 0.42 0.00 0.00 41.96 40.52 1mm4 s TYR 134 CO 0.12 -0.76 0.00 0.41 0.64 0.00 0.00 175.55 175.96 1mm4 n GLY 135 N 4.65 1.03 0.00 8.97 0.00 -1.26 -2.52 105.19 116.07 1mm4 n GLY 135 Ca -0.15 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.37 1mm4 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mm4 n PRO 136 N 0.00 0.33 -4.24 1.61 -0.04 -1.26 -4.78 135.00 126.62 1mm4 n PRO 136 Ca 0.00 0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 1mm4 n PRO 136 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1mm4 n PRO 136 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mm4 s VAL 137 N -2.54 3.51 0.03 0.52 1.01 -1.05 -4.87 120.40 117.01 1mm4 s VAL 137 Ca 0.22 -1.55 -0.00 0.00 0.00 0.00 0.00 61.98 60.64 1mm4 s VAL 137 Cb 0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1mm4 s VAL 137 CO 0.33 -0.14 0.14 -0.89 0.00 0.00 0.00 175.10 174.55 1mm4 s THR 138 N -1.78 5.06 0.06 3.92 2.01 -1.07 -2.49 115.64 121.36 1mm4 s THR 138 Ca 0.27 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1mm4 s THR 138 Cb -0.09 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1mm4 s THR 138 CO 0.17 0.23 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.74 1mm4 s PHE 139 N -1.36 2.02 -0.04 4.92 0.08 0.23 -2.15 117.98 121.68 1mm4 s PHE 139 Ca 0.29 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.94 1mm4 s PHE 139 Cb -0.12 -1.18 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1mm4 s PHE 139 CO 0.21 0.15 0.06 -1.14 -0.10 0.00 0.00 175.22 174.40 1mm4 s GLN 140 N -1.40 -0.03 -0.14 0.44 0.74 -0.48 -1.43 119.66 117.37 1mm4 s GLN 140 Ca 0.09 0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.82 1mm4 s GLN 140 Cb -0.09 -0.33 0.02 0.00 1.10 0.00 0.00 33.01 33.70 1mm4 s GLN 140 CO 0.03 -0.23 -0.18 -1.64 -0.55 0.00 0.00 175.29 172.71 1mm4 s MET 141 N 1.55 2.61 -0.03 1.67 -1.94 -0.59 -1.51 119.30 121.06 1mm4 s MET 141 Ca -0.03 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.11 1mm4 s MET 141 Cb -0.12 -2.21 -0.05 0.00 2.01 0.00 0.00 34.83 34.45 1mm4 s MET 141 CO -0.04 -0.10 0.38 0.99 -0.01 0.00 0.00 175.02 176.24 1mm4 s THR 142 N 1.08 5.10 0.01 2.05 2.01 -0.43 -0.87 115.64 124.59 1mm4 s THR 142 Ca -0.03 0.77 -0.00 0.00 0.31 0.00 0.00 61.69 62.74 1mm4 s THR 142 Cb -0.14 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1mm4 s THR 142 CO -0.05 0.55 0.09 -0.47 -0.69 0.00 0.00 174.62 174.05 1mm4 s TYR 143 N -0.86 3.29 -0.02 4.92 5.04 -0.84 -2.60 117.35 126.29 1mm4 s TYR 143 Ca 0.23 0.20 0.01 0.00 -2.44 0.00 0.00 57.07 55.06 1mm4 s TYR 143 Cb -0.16 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.43 1mm4 s TYR 143 CO 0.12 0.55 -0.04 0.42 -1.34 0.00 0.00 175.55 175.26 1mm4 s ILE 144 N -1.24 0.39 0.07 3.14 1.01 -1.25 -4.45 121.20 118.88 1mm4 s ILE 144 Ca 0.24 -0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.45 1mm4 s ILE 144 Cb -0.12 -0.38 -0.07 0.00 0.01 0.00 0.00 42.46 41.90 1mm4 s ILE 144 CO 0.16 0.14 1.38 -2.16 0.00 0.00 0.00 174.94 174.47 1mm4 s PRO 145 N 0.32 4.31 0.00 2.79 0.04 -1.26 -4.56 135.00 136.65 1mm4 s PRO 145 Ca -0.03 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1mm4 s PRO 145 Cb -0.07 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1mm4 s PRO 145 CO -0.00 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1mm4 n GLY 146 N 3.53 1.72 1.00 0.56 0.00 -1.26 -4.96 105.19 105.77 1mm4 n GLY 146 Ca 0.12 -1.46 -0.00 0.00 0.00 0.00 0.00 46.02 44.68 1mm4 n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mm4 n THR 147 N 0.00 0.54 -3.64 2.61 -1.04 -1.26 -5.06 114.28 106.42 1mm4 n THR 147 Ca 0.00 0.18 -0.05 0.00 -2.04 0.00 0.00 64.05 62.14 1mm4 n THR 147 Cb 0.00 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 67.17 1mm4 n THR 147 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1mm4 s TYR 148 N -1.44 -0.35 0.00 -1.42 5.04 -1.26 -5.04 117.35 112.89 1mm4 s TYR 148 Ca -0.00 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1mm4 s TYR 148 Cb 0.00 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.67 1mm4 s TYR 148 CO 0.00 -0.17 0.00 0.09 -1.34 0.00 0.00 175.55 174.14 1mm4 n ASN 149 N 2.45 0.00 -4.72 4.32 3.02 -1.26 -4.64 115.26 114.43 1mm4 n ASN 149 Ca -0.14 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.11 1mm4 n ASN 149 Cb 0.57 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.65 1mm4 n ASN 149 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1mm4 s ASN 150 N -3.58 4.10 0.00 6.41 0.01 -1.26 -4.87 114.94 115.75 1mm4 s ASN 150 Ca 0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 52.86 50.68 1mm4 s ASN 150 Cb 0.00 0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.75 1mm4 s ASN 150 CO 0.00 -0.69 0.00 0.61 -1.51 0.00 0.00 177.10 175.51 1mm4 n GLY 151 N -1.19 1.86 3.48 0.66 0.00 -1.26 -4.39 105.19 104.35 1mm4 n GLY 151 Ca -0.11 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1mm4 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm4 s ASN 152 N -2.00 4.65 -0.01 1.61 0.01 -1.26 -4.41 114.94 113.53 1mm4 s ASN 152 Ca 0.00 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1mm4 s ASN 152 Cb 0.00 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.91 1mm4 s ASN 152 CO 0.00 0.18 0.03 0.68 -1.51 0.00 0.00 177.10 176.48 1mm4 s VAL 153 N 0.28 4.40 -0.02 1.60 -7.23 -1.26 -5.09 120.40 113.08 1mm4 s VAL 153 Ca -0.05 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.69 1mm4 s VAL 153 Cb -0.14 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 1mm4 s VAL 153 CO 0.03 0.39 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.75 1mm4 s TYR 154 N -1.10 1.52 0.08 2.82 2.02 -1.26 -3.82 117.35 117.61 1mm4 s TYR 154 Ca 0.20 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 1mm4 s TYR 154 Cb -0.12 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1mm4 s TYR 154 CO 0.11 -0.08 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.94 1mm4 s PHE 155 N -0.20 2.97 0.14 2.71 0.08 -1.07 -4.97 117.98 117.64 1mm4 s PHE 155 Ca 0.02 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.10 1mm4 s PHE 155 Cb -0.08 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1mm4 s PHE 155 CO 0.00 0.47 -0.12 0.00 -0.10 0.00 0.00 175.22 175.47 1mm4 s ALA 156 N -1.28 1.49 -0.24 5.36 0.00 -1.26 -1.31 121.76 124.52 1mm4 s ALA 156 Ca 0.25 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.56 1mm4 s ALA 156 Cb -0.12 -0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.09 1mm4 s ALA 156 CO 0.17 0.02 0.95 -1.58 0.00 0.00 0.00 175.76 175.32 1mm4 s TRP 157 N -2.65 -0.52 0.01 0.00 0.51 -0.57 -4.27 118.94 111.45 1mm4 s TRP 157 Ca 0.12 1.17 0.01 0.00 -2.12 0.00 0.00 56.10 55.28 1mm4 s TRP 157 Cb -0.02 0.37 -0.04 0.00 -0.81 0.00 0.00 33.47 32.97 1mm4 s TRP 157 CO 0.02 -0.30 0.06 -1.64 -0.51 0.00 0.00 176.95 174.58 1mm4 s MET 158 N -0.12 2.96 -0.14 4.98 -1.94 -0.62 -1.38 119.30 123.03 1mm4 s MET 158 Ca 0.01 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1mm4 s MET 158 Cb -0.04 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 34.03 1mm4 s MET 158 CO -0.02 0.62 -0.16 0.50 -0.01 0.00 0.00 175.02 175.95 1mm4 s ARG 159 N -1.83 2.48 -0.05 2.03 3.52 -0.91 -2.59 118.95 121.59 1mm4 s ARG 159 Ca 0.23 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1mm4 s ARG 159 Cb -0.12 -2.15 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 1mm4 s ARG 159 CO 0.15 -0.14 0.02 -0.06 -0.81 0.00 0.00 175.30 174.45 1mm4 s PHE 160 N 1.20 3.17 -0.18 5.12 0.40 -0.86 -2.58 117.98 124.25 1mm4 s PHE 160 Ca -0.00 0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1mm4 s PHE 160 Cb -0.14 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.64 1mm4 s PHE 160 CO -0.07 0.49 -0.14 -1.14 0.70 0.00 0.00 175.22 175.06 1mm4 s GLN 161 N -1.21 3.18 0.25 0.44 0.74 -1.26 -1.13 119.66 120.67 1mm4 s GLN 161 Ca 0.17 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 54.87 1mm4 s GLN 161 Cb -0.11 -2.71 -0.05 0.00 1.10 0.00 0.00 33.01 31.24 1mm4 s GLN 161 CO 0.06 -0.12 0.01 0.12 -0.55 0.00 0.00 175.29 174.81 1mm4 s PHE 162 N 1.16 1.67 -0.08 1.67 5.36 -0.70 -5.01 117.98 122.05 1mm4 s PHE 162 Ca 0.01 -0.93 -0.04 0.00 -0.96 0.00 0.00 56.93 55.02 1mm4 s PHE 162 Cb -0.14 -0.99 0.04 0.00 -0.34 0.00 0.00 43.02 41.59 1mm4 s PHE 162 CO -0.06 -0.02 0.19 -1.17 -1.46 0.00 0.00 175.22 172.70 1mm4 s LEU 163 N -3.35 0.61 -0.16 6.12 0.20 -1.26 -1.55 118.68 119.29 1mm4 s LEU 163 Ca 0.31 0.39 -0.05 0.00 0.69 0.00 0.00 54.13 55.47 1mm4 s LEU 163 Cb 0.06 0.52 0.06 0.00 -0.43 0.00 0.00 46.19 46.40 1mm4 s LEU 163 CO 0.11 -0.15 0.09 -1.61 -0.29 0.00 0.00 176.35 174.49 1mm4 s GLU 164 N 1.17 0.06 0.04 1.98 0.41 -1.26 -5.06 118.70 116.04 1mm4 s GLU 164 Ca -0.09 -0.06 -0.30 0.00 -0.41 0.00 0.00 54.97 54.11 1mm4 s GLU 164 Cb -0.11 -1.78 -0.04 0.00 -1.78 0.00 0.00 34.13 30.43 1mm4 s GLU 164 CO -0.07 -0.66 1.00 -1.01 -0.49 0.00 0.00 175.26 174.04 1mm4 s HIS 165 N 2.14 3.67 0.12 1.61 3.76 -1.26 -4.94 115.29 120.39 1mm4 s HIS 165 Ca 0.02 1.68 0.08 0.00 -0.15 0.00 0.00 55.06 56.69 1mm4 s HIS 165 Cb -0.16 -3.14 -0.09 0.00 1.11 0.00 0.00 32.58 30.30 1mm4 s HIS 165 CO -0.09 -0.11 1.35 1.12 -0.85 0.00 0.00 174.74 176.16 1mm4 h HIS 166 N 6.43 0.00 -2.39 1.40 2.07 -2.02 -3.50 115.15 117.13 1mm4 h HIS 166 Ca -0.42 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.32 1mm4 h HIS 166 Cb 1.22 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.14 1mm4 h HIS 166 CO 0.67 0.90 -0.28 1.58 -3.07 0.00 0.00 177.93 177.72 1mm4 n HIS 167 N -3.41 -2.84 -2.83 6.12 -0.00 -1.26 -4.99 115.22 106.01 1mm4 n HIS 167 Ca -0.00 0.98 -0.08 0.00 0.46 0.00 0.00 57.72 59.08 1mm4 n HIS 167 Cb 0.87 -1.71 0.01 0.00 -0.12 0.00 0.00 29.99 29.04 1mm4 n HIS 167 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1mm4 n HIS 168 N -3.03 -3.45 -1.72 1.57 -0.00 -1.26 -4.87 115.22 102.46 1mm4 n HIS 168 Ca 0.01 1.39 -0.42 0.00 -0.00 0.00 0.00 57.72 58.70 1mm4 n HIS 168 Cb 0.36 -4.06 -0.03 0.00 -0.00 0.00 0.00 29.99 26.26 1mm4 n HIS 168 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1mm4 s HIS 169 N -2.57 2.66 -2.22 1.57 3.76 -1.26 -5.31 115.29 111.92 1mm4 s HIS 169 Ca 0.24 0.22 0.30 0.00 -0.15 0.00 0.00 55.06 55.68 1mm4 s HIS 169 Cb -0.07 -4.15 1.53 0.00 1.11 0.00 0.00 32.58 31.00 1mm4 s HIS 169 CO 0.76 -4.50 2.02 -2.39 -0.85 0.00 0.00 174.74 169.77