#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm5 n ASN 2 N 0.00 0.00 0.02 7.83 0.23 -1.26 -4.91 115.26 117.17 1mm5 n ASN 2 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.97 1mm5 n ASN 2 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1mm5 n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mm5 h ALA 3 N 0.00 -0.16 0.00 -2.53 0.00 -2.06 -3.16 119.26 111.34 1mm5 h ALA 3 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1mm5 h ALA 3 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1mm5 h ALA 3 CO 0.00 -0.19 -0.66 0.22 0.00 0.00 0.00 179.25 178.62 1mm5 h ASP 4 N -0.97 0.00 -0.38 0.00 3.58 -2.00 -3.12 116.42 113.54 1mm5 h ASP 4 Ca -0.02 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.44 1mm5 h ASP 4 Cb 0.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1mm5 h ASP 4 CO 0.03 0.66 0.25 -0.33 -2.88 0.00 0.00 179.24 176.97 1mm5 h GLU 5 N 0.00 0.46 0.00 0.28 5.08 -1.91 -1.57 114.58 116.93 1mm5 h GLU 5 Ca -0.01 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 1mm5 h GLU 5 Cb 1.26 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1mm5 h GLU 5 CO 0.09 0.31 -0.95 2.35 -1.00 0.00 0.00 179.01 179.81 1mm5 h TRP 6 N 0.48 0.00 -0.41 4.33 7.01 -1.50 -3.21 115.95 122.64 1mm5 h TRP 6 Ca 0.14 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.18 1mm5 h TRP 6 Cb -0.01 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1mm5 h TRP 6 CO -0.00 0.95 0.28 1.98 -2.79 0.00 0.00 178.44 178.85 1mm5 h MET 7 N 0.00 0.39 0.03 2.65 4.05 -1.26 0.14 114.93 120.93 1mm5 h MET 7 Ca -0.01 -0.02 -0.22 0.00 -0.28 0.00 0.00 59.70 59.16 1mm5 h MET 7 Cb 1.68 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.37 1mm5 h MET 7 CO 0.12 0.26 -1.05 1.15 0.23 0.00 0.00 176.91 177.62 1mm5 h THR 8 N 0.40 1.67 -0.01 -0.77 2.02 -1.56 -2.68 112.91 111.98 1mm5 h THR 8 Ca 0.17 -3.35 -0.20 0.00 0.77 0.00 0.00 66.41 63.80 1mm5 h THR 8 Cb 0.18 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1mm5 h THR 8 CO -0.04 0.96 -0.85 0.74 0.37 0.00 0.00 175.52 176.70 1mm5 h THR 9 N 0.02 1.45 0.00 3.16 2.02 -1.26 -3.06 112.91 115.23 1mm5 h THR 9 Ca -0.04 -2.47 -0.22 0.00 0.77 0.00 0.00 66.41 64.45 1mm5 h THR 9 Cb 1.81 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 70.60 1mm5 h THR 9 CO 0.15 0.73 -0.93 0.15 0.37 0.00 0.00 175.52 175.98 1mm5 h PHE 10 N 0.16 0.56 -0.13 3.16 3.57 -0.84 -3.19 116.94 120.23 1mm5 h PHE 10 Ca -0.05 -0.31 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 1mm5 h PHE 10 Cb 1.47 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1mm5 h PHE 10 CO 0.04 1.12 -0.16 -0.09 -2.23 0.00 0.00 178.31 176.99 1mm5 h ARG 11 N 0.21 0.21 -0.08 1.11 2.43 -1.50 -2.32 114.38 114.44 1mm5 h ARG 11 Ca -0.07 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1mm5 h ARG 11 Cb 1.57 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 1mm5 h ARG 11 CO 0.16 0.38 -0.50 1.49 -1.51 0.00 0.00 179.97 179.98 1mm5 h GLU 12 N 0.20 0.22 0.41 0.20 4.81 -1.52 -1.81 114.58 117.09 1mm5 h GLU 12 Ca 0.04 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1mm5 h GLU 12 Cb 0.40 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1mm5 h GLU 12 CO 0.03 0.67 -0.20 -0.91 -0.73 0.00 0.00 179.01 177.87 1mm5 h ASN 13 N 0.17 -0.47 -0.60 1.04 4.21 -1.42 -1.52 115.58 116.99 1mm5 h ASN 13 Ca 0.01 -0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.43 1mm5 h ASN 13 Cb 0.94 0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 38.23 1mm5 h ASN 13 CO 0.08 -0.06 0.37 -0.29 -1.29 0.00 0.00 177.43 176.24 1mm5 h ILE 14 N -0.98 1.08 0.00 2.81 6.09 -1.54 -1.54 117.51 123.44 1mm5 h ILE 14 Ca -0.06 -0.25 -0.03 0.00 -1.37 0.00 0.00 64.86 63.15 1mm5 h ILE 14 Cb 0.55 0.28 -0.00 0.00 0.47 0.00 0.00 36.82 38.12 1mm5 h ILE 14 CO 0.09 0.13 -0.16 0.00 -3.07 0.00 0.00 178.15 175.14 1mm5 h ALA 15 N 1.26 1.55 -0.13 0.18 0.00 -1.38 0.08 119.26 120.82 1mm5 h ALA 15 Ca 0.24 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1mm5 h ALA 15 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1mm5 h ALA 15 CO -0.09 0.20 -0.15 0.37 0.00 0.00 0.00 179.25 179.58 1mm5 h GLN 16 N 0.00 0.32 -0.01 0.00 5.75 -0.26 0.13 115.11 121.04 1mm5 h GLN 16 Ca -0.00 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.17 1mm5 h GLN 16 Cb 0.32 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1mm5 h GLN 16 CO 0.02 0.74 -0.70 1.15 -2.65 0.00 0.00 178.83 177.39 1mm5 h THR 17 N -0.07 1.48 0.00 2.39 2.02 -1.18 0.11 112.91 117.65 1mm5 h THR 17 Ca 0.02 -2.33 -0.20 0.00 0.77 0.00 0.00 66.41 64.67 1mm5 h THR 17 Cb 0.69 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 1mm5 h THR 17 CO 0.04 0.67 -0.95 -0.25 0.37 0.00 0.00 175.52 175.40 1mm5 h TRP 18 N 0.05 0.02 0.14 3.16 7.01 -0.98 -3.32 115.95 122.02 1mm5 h TRP 18 Ca -0.01 -0.01 -0.33 0.00 2.11 0.00 0.00 58.89 60.64 1mm5 h TRP 18 Cb 1.24 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.30 1mm5 h TRP 18 CO 0.01 0.95 -1.71 0.37 -2.79 0.00 0.00 178.44 175.26 1mm5 h GLN 19 N 0.00 0.29 -3.70 2.65 4.15 -0.69 -3.42 115.11 114.41 1mm5 h GLN 19 Ca -0.01 -0.50 -0.75 0.00 0.77 0.00 0.00 58.65 58.16 1mm5 h GLN 19 Cb 1.67 0.19 -0.30 0.00 0.21 0.00 0.00 27.48 29.24 1mm5 h GLN 19 CO 0.12 1.17 -0.08 -0.65 -1.93 0.00 0.00 178.83 177.47 1mm5 s GLN 20 N -2.59 3.22 0.58 1.69 -1.52 0.36 -5.07 119.66 116.33 1mm5 s GLN 20 Ca -0.14 -2.55 -0.10 0.00 -1.95 0.00 0.00 55.36 50.62 1mm5 s GLN 20 Cb 0.06 -4.15 0.14 0.00 -0.22 0.00 0.00 33.01 28.85 1mm5 s GLN 20 CO 0.84 -1.24 0.51 -0.35 -0.25 0.00 0.00 175.29 174.79 1mm5 n PRO 21 N 3.67 -2.06 -1.45 2.91 -0.04 -1.26 -4.63 135.00 132.14 1mm5 n PRO 21 Ca 0.12 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1mm5 n PRO 21 Cb 0.43 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 1mm5 n PRO 21 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1mm5 n GLU 22 N -3.09 -3.94 -4.27 0.54 2.13 -1.26 -5.07 120.64 105.69 1mm5 n GLU 22 Ca 0.07 3.01 -0.17 0.00 0.66 0.00 0.00 57.16 60.72 1mm5 n GLU 22 Cb 0.27 -3.61 -0.09 0.00 0.27 0.00 0.00 31.44 28.29 1mm5 n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1mm5 s HIS 23 N -4.55 1.57 -0.53 4.31 3.76 -1.26 -4.99 115.29 113.61 1mm5 s HIS 23 Ca 0.00 -1.55 -0.09 0.00 -0.15 0.00 0.00 55.06 53.26 1mm5 s HIS 23 Cb 0.00 -0.69 0.13 0.00 1.11 0.00 0.00 32.58 33.13 1mm5 s HIS 23 CO 0.00 -0.77 0.40 -0.47 -0.85 0.00 0.00 174.74 173.06 1mm5 s TYR 24 N -3.66 3.45 0.29 1.40 6.14 -0.73 -4.33 117.35 119.91 1mm5 s TYR 24 Ca 0.40 -1.96 0.05 0.00 0.64 0.00 0.00 57.07 56.20 1mm5 s TYR 24 Cb 0.04 -3.51 -0.02 0.00 0.42 0.00 0.00 41.96 38.89 1mm5 s TYR 24 CO 0.22 -0.98 0.42 -0.51 0.64 0.00 0.00 175.55 175.34 1mm5 s ASP 25 N 2.45 6.15 -0.05 4.32 1.11 -0.91 -0.70 116.67 129.04 1mm5 s ASP 25 Ca 0.08 -0.03 0.01 0.00 0.18 0.00 0.00 52.55 52.79 1mm5 s ASP 25 Cb -0.24 -1.57 0.02 0.00 1.07 0.00 0.00 42.92 42.20 1mm5 s ASP 25 CO -0.02 -0.26 -0.05 -1.48 1.18 0.00 0.00 175.17 174.55 1mm5 s LEU 26 N -4.09 1.35 -0.27 1.23 2.34 -0.73 -2.15 118.68 116.35 1mm5 s LEU 26 Ca 0.40 -0.15 -0.13 0.00 0.06 0.00 0.00 54.13 54.31 1mm5 s LEU 26 Cb -0.09 -0.49 -0.04 0.00 -0.56 0.00 0.00 46.19 45.01 1mm5 s LEU 26 CO 0.30 -0.05 0.29 -0.31 -1.06 0.00 0.00 176.35 175.52 1mm5 s TYR 27 N 0.91 3.24 -0.02 3.48 2.02 0.44 -2.59 117.35 124.83 1mm5 s TYR 27 Ca -0.11 0.28 0.04 0.00 -0.37 0.00 0.00 57.07 56.91 1mm5 s TYR 27 Cb -0.14 -2.48 -0.01 0.00 -0.40 0.00 0.00 41.96 38.92 1mm5 s TYR 27 CO 0.00 -0.19 -0.14 0.42 -1.57 0.00 0.00 175.55 174.07 1mm5 s ILE 28 N 1.92 1.13 0.60 2.71 -1.09 -1.07 -2.44 121.20 122.97 1mm5 s ILE 28 Ca 0.11 -0.60 -0.18 0.00 -2.23 0.00 0.00 60.65 57.76 1mm5 s ILE 28 Cb -0.16 -0.95 -0.06 0.00 -1.58 0.00 0.00 42.46 39.71 1mm5 s ILE 28 CO 0.10 0.32 0.73 -2.65 -1.23 0.00 0.00 174.94 172.21 1mm5 n PRO 29 N 2.84 0.64 0.00 2.79 -0.02 -1.26 -0.55 135.00 139.44 1mm5 n PRO 29 Ca -0.15 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1mm5 n PRO 29 Cb 0.55 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1mm5 n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mm5 n ALA 30 N -1.81 2.42 -3.66 3.55 0.00 -1.21 -4.48 120.51 115.32 1mm5 n ALA 30 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 1mm5 n ALA 30 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 1mm5 n ALA 30 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mm5 s ILE 31 N -0.42 -0.50 0.00 0.00 -4.36 -1.25 -5.00 121.20 109.67 1mm5 s ILE 31 Ca 0.00 0.09 0.04 0.00 -0.26 0.00 0.00 60.65 60.52 1mm5 s ILE 31 Cb 0.00 -0.77 -0.03 0.00 1.25 0.00 0.00 42.46 42.90 1mm5 s ILE 31 CO 0.00 0.04 -0.08 0.42 0.24 0.00 0.00 174.94 175.56 1mm5 s THR 32 N 2.28 3.53 -0.21 8.37 -4.23 -1.26 -2.26 115.64 121.86 1mm5 s THR 32 Ca -0.06 -0.80 -0.24 0.00 -1.18 0.00 0.00 61.69 59.42 1mm5 s THR 32 Cb -0.10 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1mm5 s THR 32 CO -0.15 0.40 0.77 0.26 -0.54 0.00 0.00 174.62 175.36 1mm5 s TRP 33 N -0.97 3.36 0.11 3.99 0.52 -1.26 -5.05 118.94 119.64 1mm5 s TRP 33 Ca 0.16 1.10 0.08 0.00 0.02 0.00 0.00 56.10 57.47 1mm5 s TRP 33 Cb -0.11 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1mm5 s TRP 33 CO 0.07 -0.29 -0.16 -1.01 0.02 0.00 0.00 176.95 175.58 1mm5 s HIS 34 N 2.36 2.59 0.14 -1.98 3.76 -1.26 -5.00 115.29 115.90 1mm5 s HIS 34 Ca 0.34 -0.24 -0.32 0.00 -0.15 0.00 0.00 55.06 54.70 1mm5 s HIS 34 Cb -0.16 -1.37 -0.11 0.00 1.11 0.00 0.00 32.58 32.05 1mm5 s HIS 34 CO 0.10 0.40 1.80 0.00 -0.85 0.00 0.00 174.74 176.18 1mm5 n ALA 35 N 0.76 2.23 -1.24 -1.40 0.00 -1.26 -4.88 120.51 114.72 1mm5 n ALA 35 Ca -0.15 0.34 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1mm5 n ALA 35 Cb 0.53 -2.56 0.17 0.00 0.00 0.00 0.00 19.45 17.59 1mm5 n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1mm5 n ARG 36 N 5.13 2.28 0.14 0.00 0.63 -1.26 -4.47 116.66 119.11 1mm5 n ARG 36 Ca 0.18 -3.03 -0.01 0.00 -0.92 0.00 0.00 57.85 54.07 1mm5 n ARG 36 Cb 0.36 -2.18 0.22 0.00 0.45 0.00 0.00 32.46 31.30 1mm5 n ARG 36 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1mm5 h PHE 37 N 1.07 0.03 -3.33 -0.14 3.04 -2.05 -3.43 116.94 112.14 1mm5 h PHE 37 Ca 0.63 -0.01 -0.60 0.00 3.98 0.00 0.00 57.97 61.97 1mm5 h PHE 37 Cb 2.71 -0.01 -0.12 0.00 2.56 0.00 0.00 35.95 41.09 1mm5 h PHE 37 CO 1.58 0.57 -0.49 0.00 -2.02 0.00 0.00 178.31 177.95 1mm5 s ALA 38 N -3.79 3.67 -0.95 2.41 0.00 -1.26 -5.00 121.76 116.84 1mm5 s ALA 38 Ca -0.02 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 1mm5 s ALA 38 Cb 0.13 -2.21 -0.16 0.00 0.00 0.00 0.00 23.12 20.88 1mm5 s ALA 38 CO 0.76 0.09 2.21 -0.47 0.00 0.00 0.00 175.76 178.35 1mm5 s TYR 39 N 0.50 1.30 -0.38 0.00 5.04 -1.26 -4.89 117.35 117.66 1mm5 s TYR 39 Ca 0.08 1.85 -0.24 0.00 -2.44 0.00 0.00 57.07 56.32 1mm5 s TYR 39 Cb -0.12 -3.50 0.01 0.00 0.35 0.00 0.00 41.96 38.71 1mm5 s TYR 39 CO -0.01 -1.21 0.82 -0.51 -1.34 0.00 0.00 175.55 173.30 1mm5 s ASP 40 N 9.32 6.55 -0.08 4.32 1.11 -1.26 -4.75 116.67 131.87 1mm5 s ASP 40 Ca 0.84 0.30 0.03 0.00 0.18 0.00 0.00 52.55 53.91 1mm5 s ASP 40 Cb -0.08 -2.41 0.10 0.00 1.07 0.00 0.00 42.92 41.60 1mm5 s ASP 40 CO 0.11 -0.80 0.71 1.17 1.18 0.00 0.00 175.17 177.54 1mm5 n LYS 41 N 6.58 0.33 -3.55 8.23 0.00 -1.26 -5.06 118.16 123.43 1mm5 n LYS 41 Ca 0.04 -0.42 -0.27 0.00 0.00 0.00 0.00 58.31 57.66 1mm5 n LYS 41 Cb 0.48 0.28 -0.10 0.00 0.00 0.00 0.00 35.03 35.69 1mm5 n LYS 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1mm5 n GLU 42 N -0.38 1.10 -2.70 1.64 1.02 -1.26 -4.97 120.64 115.09 1mm5 n GLU 42 Ca -0.08 -3.81 -0.01 0.00 -0.02 0.00 0.00 57.16 53.24 1mm5 n GLU 42 Cb 0.56 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1mm5 n GLU 42 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mm5 n LYS 43 N 2.11 -3.37 -0.04 3.49 4.81 -1.26 -5.03 118.16 118.88 1mm5 n LYS 43 Ca 0.25 2.71 -0.05 0.00 -0.87 0.00 0.00 58.31 60.35 1mm5 n LYS 43 Cb 0.43 -5.33 -0.02 0.00 0.02 0.00 0.00 35.03 30.13 1mm5 n LYS 43 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1mm5 n THR 44 N 0.62 1.30 -3.59 3.15 -1.04 -1.26 -4.88 114.28 108.57 1mm5 n THR 44 Ca 0.01 0.24 -0.39 0.00 -2.04 0.00 0.00 64.05 61.87 1mm5 n THR 44 Cb 0.03 -2.02 -0.07 0.00 -1.82 0.00 0.00 70.33 66.46 1mm5 n THR 44 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1mm5 s ASP 45 N -5.82 5.88 0.00 8.00 3.84 -1.26 -4.56 116.67 122.76 1mm5 s ASP 45 Ca -0.17 -3.12 0.00 0.00 -0.00 0.00 0.00 52.55 49.25 1mm5 s ASP 45 Cb 0.02 -1.96 0.00 0.00 -1.38 0.00 0.00 42.92 39.60 1mm5 s ASP 45 CO 0.26 -0.35 0.00 0.54 -0.00 0.00 0.00 175.17 175.62 1mm5 n ARG 46 N 3.19 0.00 -2.00 2.11 5.12 -1.26 -4.97 116.66 118.85 1mm5 n ARG 46 Ca 0.14 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.04 1mm5 n ARG 46 Cb 0.39 -0.09 0.03 0.00 -1.16 0.00 0.00 32.46 31.64 1mm5 n ARG 46 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1mm5 n TYR 47 N -2.30 -0.40 -4.05 -1.55 4.11 -1.26 -5.12 117.16 106.58 1mm5 n TYR 47 Ca 0.00 -1.22 -0.33 0.00 -0.00 0.00 0.00 57.90 56.34 1mm5 n TYR 47 Cb 0.00 0.57 -0.06 0.00 -0.00 0.00 0.00 39.34 39.84 1mm5 n TYR 47 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1mm5 s ASN 48 N -1.81 5.85 -0.05 9.48 0.01 -1.26 -5.09 114.94 122.06 1mm5 s ASN 48 Ca 0.15 0.20 -0.20 0.00 -0.71 0.00 0.00 52.86 52.30 1mm5 s ASN 48 Cb 0.28 -1.73 -0.05 0.00 0.41 0.00 0.00 41.25 40.17 1mm5 s ASN 48 CO -0.08 0.28 0.56 -1.61 -1.51 0.00 0.00 177.10 174.74 1mm5 s GLU 49 N -1.74 4.32 0.11 -0.60 2.02 -1.26 -5.06 118.70 116.49 1mm5 s GLU 49 Ca 0.23 0.64 -0.01 0.00 0.02 0.00 0.00 54.97 55.86 1mm5 s GLU 49 Cb -0.12 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1mm5 s GLU 49 CO 0.14 0.27 0.28 1.03 0.02 0.00 0.00 175.26 177.00 1mm5 s ARG 50 N 0.20 3.49 -0.59 1.61 1.81 -1.26 -5.00 118.95 119.21 1mm5 s ARG 50 Ca 0.30 -0.38 -0.30 0.00 -1.72 0.00 0.00 55.73 53.64 1mm5 s ARG 50 Cb -0.17 -2.96 -0.12 0.00 -0.45 0.00 0.00 34.95 31.25 1mm5 s ARG 50 CO 0.15 0.54 2.44 -2.30 -0.68 0.00 0.00 175.30 175.44 1mm5 n PRO 51 N -0.01 0.79 -2.02 3.54 -0.02 -1.26 -4.87 135.00 131.16 1mm5 n PRO 51 Ca -0.05 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 1mm5 n PRO 51 Cb 0.52 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1mm5 n PRO 51 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1mm5 s TRP 52 N 10.04 1.95 0.35 6.00 -0.11 -1.26 -4.93 118.94 130.98 1mm5 s TRP 52 Ca 1.11 0.41 -0.15 0.00 1.22 0.00 0.00 56.10 58.70 1mm5 s TRP 52 Cb -0.64 -3.98 0.06 0.00 -1.50 0.00 0.00 33.47 27.40 1mm5 s TRP 52 CO 0.38 -3.38 0.76 0.41 -4.62 0.00 0.00 176.95 170.50 1mm5 n GLY 53 N 4.64 1.00 0.00 5.86 0.00 -1.26 -3.92 105.19 111.52 1mm5 n GLY 53 Ca 0.19 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1mm5 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm5 n GLY 54 N -0.52 2.60 2.05 -0.02 0.00 -1.07 -4.97 105.19 103.25 1mm5 n GLY 54 Ca -0.08 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1mm5 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm5 n GLY 55 N -0.77 2.47 3.40 -0.02 0.00 -1.02 -1.95 105.19 107.30 1mm5 n GLY 55 Ca 0.00 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 1mm5 n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm5 s PHE 56 N -3.80 1.71 -0.16 1.61 0.08 0.36 -0.42 117.98 117.36 1mm5 s PHE 56 Ca 0.17 -1.25 -0.10 0.00 0.12 0.00 0.00 56.93 55.87 1mm5 s PHE 56 Cb -0.01 -1.02 0.05 0.00 -0.57 0.00 0.00 43.02 41.47 1mm5 s PHE 56 CO 0.12 -0.35 0.39 0.20 -0.10 0.00 0.00 175.22 175.48 1mm5 s GLY 57 N -3.45 -0.30 -0.21 4.36 0.00 -0.92 -1.13 107.32 105.67 1mm5 s GLY 57 Ca 0.33 1.35 -0.05 0.00 0.00 0.00 0.00 44.72 46.35 1mm5 s GLY 57 CO 0.16 1.42 0.01 1.08 0.00 0.00 0.00 173.10 175.77 1mm5 s LEU 58 N 1.03 3.23 0.44 0.66 1.02 0.06 -2.14 118.68 122.98 1mm5 s LEU 58 Ca -0.07 -0.23 -0.10 0.00 0.02 0.00 0.00 54.13 53.75 1mm5 s LEU 58 Cb -0.07 -1.83 -0.06 0.00 0.02 0.00 0.00 46.19 44.25 1mm5 s LEU 58 CO -0.08 0.03 0.81 -0.55 0.02 0.00 0.00 176.35 176.58 1mm5 s SER 59 N 1.19 6.48 0.06 2.29 0.15 -1.26 -2.12 113.70 120.49 1mm5 s SER 59 Ca 0.03 1.17 -0.20 0.00 0.70 0.00 0.00 55.95 57.65 1mm5 s SER 59 Cb -0.14 -2.34 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1mm5 s SER 59 CO 0.01 -0.47 0.46 -0.13 1.20 0.00 0.00 173.24 174.32 1mm5 s ARG 60 N -4.06 0.99 -0.08 5.44 0.52 0.50 -4.28 118.95 117.99 1mm5 s ARG 60 Ca 0.52 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 1mm5 s ARG 60 Cb -0.10 0.45 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 1mm5 s ARG 60 CO 0.34 -0.36 -0.12 -1.58 0.02 0.00 0.00 175.30 173.61 1mm5 s TRP 61 N -2.63 2.79 -0.14 -0.53 0.51 -1.26 -2.59 118.94 115.09 1mm5 s TRP 61 Ca -0.04 -0.27 -0.08 0.00 -2.12 0.00 0.00 56.10 53.59 1mm5 s TRP 61 Cb -0.00 -1.72 -0.04 0.00 -0.81 0.00 0.00 33.47 30.89 1mm5 s TRP 61 CO -0.03 0.09 0.15 0.34 -0.51 0.00 0.00 176.95 176.98 1mm5 s ASP 62 N -0.38 6.35 0.61 2.95 2.15 0.50 -4.95 116.67 123.89 1mm5 s ASP 62 Ca 0.04 0.41 0.29 0.00 0.43 0.00 0.00 52.55 53.72 1mm5 s ASP 62 Cb -0.12 -2.08 1.52 0.00 -0.30 0.00 0.00 42.92 41.93 1mm5 s ASP 62 CO 0.02 0.34 1.91 -0.33 -0.17 0.00 0.00 175.17 176.94 1mm5 h GLU 63 N 5.50 0.00 -1.14 4.34 5.08 -2.00 0.12 114.58 126.48 1mm5 h GLU 63 Ca -0.51 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.43 1mm5 h GLU 63 Cb 1.21 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.24 1mm5 h GLU 63 CO 0.64 0.00 0.55 1.63 -1.00 0.00 0.00 179.01 180.82 1mm5 n LYS 64 N -3.51 2.05 -3.73 2.33 5.02 -1.26 -4.85 118.16 114.20 1mm5 n LYS 64 Ca 0.05 -2.25 -0.25 0.00 -2.02 0.00 0.00 58.31 53.85 1mm5 n LYS 64 Cb 0.57 -1.88 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1mm5 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mm5 n GLY 65 N -0.46 -0.42 3.58 0.72 0.00 0.40 -4.99 105.19 104.03 1mm5 n GLY 65 Ca 0.44 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.39 1mm5 n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mm5 s ASN 66 N -3.80 4.15 -0.21 1.61 3.84 -1.09 -4.82 114.94 114.61 1mm5 s ASN 66 Ca 0.35 -0.85 0.01 0.00 0.21 0.00 0.00 52.86 52.58 1mm5 s ASN 66 Cb -0.17 -0.60 0.05 0.00 -0.55 0.00 0.00 41.25 39.99 1mm5 s ASN 66 CO 0.79 -0.04 -0.09 0.86 -2.79 0.00 0.00 177.10 175.84 1mm5 s TRP 67 N -2.43 2.46 0.16 0.43 -0.00 -1.07 -0.37 118.94 118.12 1mm5 s TRP 67 Ca 0.32 -1.69 0.02 0.00 -0.00 0.00 0.00 56.10 54.76 1mm5 s TRP 67 Cb -0.05 -1.64 -0.05 0.00 -0.00 0.00 0.00 33.47 31.74 1mm5 s TRP 67 CO 0.18 -0.76 -0.03 -3.38 -0.00 0.00 0.00 176.95 172.96 1mm5 s HIS 68 N 1.38 1.21 -0.25 5.86 -3.43 -1.07 -1.46 115.29 117.54 1mm5 s HIS 68 Ca -0.03 -0.95 -0.37 0.00 -0.80 0.00 0.00 55.06 52.91 1mm5 s HIS 68 Cb -0.17 -0.68 0.15 0.00 -1.43 0.00 0.00 32.58 30.45 1mm5 s HIS 68 CO -0.07 -0.13 1.31 0.20 -2.00 0.00 0.00 174.74 174.05 1mm5 s GLY 69 N -3.17 -0.24 0.36 -1.38 0.00 -1.07 -0.37 107.32 101.45 1mm5 s GLY 69 Ca 0.21 1.80 0.06 0.00 0.00 0.00 0.00 44.72 46.79 1mm5 s GLY 69 CO 0.03 0.60 0.51 -2.27 0.00 0.00 0.00 173.10 171.97 1mm5 s LEU 70 N -2.07 3.88 -0.16 0.66 0.20 -0.90 -0.40 118.68 119.89 1mm5 s LEU 70 Ca 0.11 -0.18 -0.05 0.00 0.69 0.00 0.00 54.13 54.70 1mm5 s LEU 70 Cb -0.01 -2.78 0.08 0.00 -0.43 0.00 0.00 46.19 43.05 1mm5 s LEU 70 CO -0.03 -0.52 0.32 -0.72 -0.29 0.00 0.00 176.35 175.11 1mm5 s TYR 71 N -2.25 -0.57 -0.42 5.38 -0.85 -0.71 -0.76 117.35 117.17 1mm5 s TYR 71 Ca 0.47 1.12 -0.17 0.00 -0.52 0.00 0.00 57.07 57.97 1mm5 s TYR 71 Cb -0.10 0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.33 1mm5 s TYR 71 CO 0.32 -0.43 0.42 0.00 -1.52 0.00 0.00 175.55 174.34 1mm5 s ALA 72 N 2.49 3.43 -0.21 9.51 0.00 -0.29 -2.68 121.76 134.02 1mm5 s ALA 72 Ca 0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.39 1mm5 s ALA 72 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1mm5 s ALA 72 CO -0.11 -1.57 -0.03 1.41 0.00 0.00 0.00 175.76 175.46 1mm5 s MET 73 N 2.08 3.45 -0.13 0.00 0.00 0.45 -0.49 119.30 124.65 1mm5 s MET 73 Ca 0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 55.69 55.20 1mm5 s MET 73 Cb -0.17 -3.02 -0.02 0.00 0.00 0.00 0.00 34.83 31.63 1mm5 s MET 73 CO 0.13 -0.11 -0.13 0.00 0.00 0.00 0.00 175.02 174.91 1mm5 s ALA 74 N 1.28 2.64 -0.08 4.11 0.00 -0.82 -0.50 121.76 128.38 1mm5 s ALA 74 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1mm5 s ALA 74 Cb -0.14 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.77 1mm5 s ALA 74 CO -0.01 0.25 -0.11 -0.06 0.00 0.00 0.00 175.76 175.84 1mm5 s PHE 75 N 0.34 1.48 0.07 0.00 0.08 -1.07 -2.59 117.98 116.28 1mm5 s PHE 75 Ca -0.11 -0.62 -0.09 0.00 0.12 0.00 0.00 56.93 56.23 1mm5 s PHE 75 Cb -0.16 -1.13 -0.06 0.00 -0.57 0.00 0.00 43.02 41.10 1mm5 s PHE 75 CO 0.06 -0.37 0.39 0.15 -0.10 0.00 0.00 175.22 175.34 1mm5 s LYS 76 N 1.05 3.74 0.42 0.44 1.02 -1.25 -0.43 119.74 124.73 1mm5 s LYS 76 Ca -0.07 0.15 0.07 0.00 0.02 0.00 0.00 55.97 56.14 1mm5 s LYS 76 Cb -0.15 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1mm5 s LYS 76 CO -0.01 0.57 0.26 -0.51 -0.92 0.00 0.00 175.35 174.74 1mm5 s ASP 77 N -1.77 4.66 0.51 2.83 -0.00 -0.79 -4.84 116.67 117.26 1mm5 s ASP 77 Ca 0.33 -0.97 0.15 0.00 -0.00 0.00 0.00 52.55 52.06 1mm5 s ASP 77 Cb -0.14 -0.46 1.23 0.00 -0.00 0.00 0.00 42.92 43.55 1mm5 s ASP 77 CO 0.18 -0.62 2.13 0.28 -0.00 0.00 0.00 175.17 177.15 1mm5 h SER 78 N 1.24 0.05 0.00 0.27 0.02 -1.99 -3.36 113.55 109.79 1mm5 h SER 78 Ca -0.42 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.41 1mm5 h SER 78 Cb 1.26 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 1mm5 h SER 78 CO 0.65 0.04 -0.18 1.87 -1.14 0.00 0.00 176.83 178.07 1mm5 n TRP 79 N -4.52 -1.42 -2.03 3.45 -0.00 -1.26 -4.97 117.44 106.69 1mm5 n TRP 79 Ca -0.02 -1.18 0.04 0.00 -0.00 0.00 0.00 57.50 56.34 1mm5 n TRP 79 Cb 0.11 1.26 0.06 0.00 -0.00 0.00 0.00 31.31 32.74 1mm5 n TRP 79 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1mm5 n ASN 80 N -0.99 1.01 -0.45 5.87 2.85 -1.26 -5.13 115.26 117.17 1mm5 n ASN 80 Ca -0.12 -2.47 0.00 0.00 -0.11 0.00 0.00 54.58 51.87 1mm5 n ASN 80 Cb 0.76 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1mm5 n ASN 80 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1mm5 n LYS 81 N -0.16 0.00 -4.00 1.20 5.02 -1.26 -4.69 118.16 114.27 1mm5 n LYS 81 Ca 0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 1mm5 n LYS 81 Cb 0.88 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.83 1mm5 n LYS 81 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 1mm5 s TRP 82 N 0.00 3.45 -0.36 2.13 1.48 -1.26 -1.89 118.94 122.49 1mm5 s TRP 82 Ca 0.00 0.33 -0.00 0.00 -1.06 0.00 0.00 56.10 55.37 1mm5 s TRP 82 Cb 0.00 -1.82 0.09 0.00 -1.16 0.00 0.00 33.47 30.58 1mm5 s TRP 82 CO 0.00 0.62 0.10 -2.00 -4.06 0.00 0.00 176.95 171.61 1mm5 s GLU 83 N -1.60 1.95 0.51 3.25 2.56 0.43 -4.89 118.70 120.91 1mm5 s GLU 83 Ca 0.22 -1.70 -0.17 0.00 0.00 0.00 0.00 54.97 53.33 1mm5 s GLU 83 Cb -0.12 -3.35 -0.08 0.00 2.00 0.00 0.00 34.13 32.57 1mm5 s GLU 83 CO 0.13 -0.91 0.98 -1.25 -0.56 0.00 0.00 175.26 173.65 1mm5 s PRO 84 N 1.09 3.95 -0.17 4.30 0.04 -1.25 -2.61 135.00 140.35 1mm5 s PRO 84 Ca 0.05 0.99 -0.06 0.00 0.04 0.00 0.00 61.00 62.03 1mm5 s PRO 84 Cb -0.21 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.27 1mm5 s PRO 84 CO -0.05 -0.27 0.34 0.42 0.04 0.00 0.00 177.00 177.49 1mm5 s ILE 85 N -2.56 -0.54 -0.21 0.56 1.01 0.34 -2.24 121.20 117.56 1mm5 s ILE 85 Ca 0.60 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 1mm5 s ILE 85 Cb -0.10 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.83 1mm5 s ILE 85 CO 0.29 0.09 -0.12 0.00 0.00 0.00 0.00 174.94 175.20 1mm5 s ALA 86 N 2.52 2.55 0.02 9.38 0.00 -1.07 -0.41 121.76 134.74 1mm5 s ALA 86 Ca -0.00 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1mm5 s ALA 86 Cb -0.12 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 1mm5 s ALA 86 CO -0.11 -0.57 -0.08 0.20 0.00 0.00 0.00 175.76 175.21 1mm5 s GLY 87 N 1.32 0.45 -0.22 0.00 0.00 -1.09 -2.37 107.32 105.41 1mm5 s GLY 87 Ca 0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 44.72 44.07 1mm5 s GLY 87 CO -0.08 -0.53 0.35 -0.19 0.00 0.00 0.00 173.10 172.66 1mm5 s TYR 88 N -0.71 3.35 -0.17 1.90 2.02 0.45 -1.74 117.35 122.45 1mm5 s TYR 88 Ca -0.02 0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 57.14 1mm5 s TYR 88 Cb -0.06 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 1mm5 s TYR 88 CO 0.00 -0.02 0.01 0.20 -1.57 0.00 0.00 175.55 174.17 1mm5 s GLY 89 N 1.11 1.81 -0.33 0.71 0.00 0.47 -2.61 107.32 108.48 1mm5 s GLY 89 Ca 0.16 -0.79 -0.08 0.00 0.00 0.00 0.00 44.72 44.02 1mm5 s GLY 89 CO 0.07 0.00 0.12 -0.98 0.00 0.00 0.00 173.10 172.32 1mm5 s TRP 90 N 0.39 3.21 0.09 1.90 0.51 0.13 -2.60 118.94 122.56 1mm5 s TRP 90 Ca -0.01 -1.11 0.04 0.00 -2.12 0.00 0.00 56.10 52.90 1mm5 s TRP 90 Cb -0.13 -2.31 -0.03 0.00 -0.81 0.00 0.00 33.47 30.18 1mm5 s TRP 90 CO 0.02 -0.64 -0.11 -1.21 -0.51 0.00 0.00 176.95 174.49 1mm5 s GLU 91 N 1.48 0.82 -0.25 4.98 8.01 -0.53 -1.61 118.70 131.60 1mm5 s GLU 91 Ca 0.01 -1.07 -0.08 0.00 0.01 0.00 0.00 54.97 53.83 1mm5 s GLU 91 Cb -0.18 -0.61 -0.03 0.00 -4.31 0.00 0.00 34.13 28.99 1mm5 s GLU 91 CO 0.04 0.11 0.09 -1.12 0.01 0.00 0.00 175.26 174.39 1mm5 s SER 92 N -2.19 5.35 0.02 -0.19 0.01 0.44 -2.59 113.70 114.56 1mm5 s SER 92 Ca 0.02 -0.14 -0.19 0.00 1.31 0.00 0.00 55.95 56.95 1mm5 s SER 92 Cb -0.05 -1.97 -0.06 0.00 0.21 0.00 0.00 66.02 64.15 1mm5 s SER 92 CO 0.01 -0.02 0.54 0.42 0.41 0.00 0.00 173.24 174.60 1mm5 s THR 93 N 1.54 4.87 -0.11 1.44 -4.23 -1.26 -2.62 115.64 115.28 1mm5 s THR 93 Ca 0.06 1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 61.66 1mm5 s THR 93 Cb -0.15 -3.87 0.06 0.00 1.34 0.00 0.00 72.50 69.88 1mm5 s THR 93 CO 0.05 0.50 0.23 0.86 -0.54 0.00 0.00 174.62 175.73 1mm5 s TRP 94 N -0.71 -0.34 -0.15 3.99 -0.00 0.44 -4.99 118.94 117.17 1mm5 s TRP 94 Ca 0.28 0.84 -0.12 0.00 -0.00 0.00 0.00 56.10 57.10 1mm5 s TRP 94 Cb -0.18 -0.06 -0.05 0.00 -0.00 0.00 0.00 33.47 33.18 1mm5 s TRP 94 CO 0.17 -0.30 0.25 1.03 -0.00 0.00 0.00 176.95 178.10 1mm5 s ARG 95 N 2.03 4.11 0.00 5.86 3.00 -1.26 -2.60 118.95 130.09 1mm5 s ARG 95 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 55.73 55.74 1mm5 s ARG 95 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 34.95 31.46 1mm5 s ARG 95 CO -0.08 0.36 0.00 -0.35 0.00 0.00 0.00 175.30 175.23 1mm5 n PRO 96 N 3.21 -0.18 -0.08 3.54 -0.04 -1.26 -5.02 135.00 135.17 1mm5 n PRO 96 Ca -0.14 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.26 1mm5 n PRO 96 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 1mm5 n PRO 96 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mm5 n LEU 97 N 0.00 0.00 -0.19 1.53 7.99 -1.26 -4.50 117.00 120.57 1mm5 n LEU 97 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.96 1mm5 n LEU 97 Cb 0.00 0.37 0.06 0.00 -0.11 0.00 0.00 43.42 43.74 1mm5 n LEU 97 CO 0.00 0.37 1.07 0.00 -1.51 0.00 0.00 177.39 177.32 1mm5 h ALA 98 N 0.93 0.74 -2.71 -1.18 0.00 -2.01 -3.45 119.26 111.58 1mm5 h ALA 98 Ca -0.41 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1mm5 h ALA 98 Cb 1.91 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 1mm5 h ALA 98 CO 0.02 0.02 -0.22 0.34 0.00 0.00 0.00 179.25 179.41 1mm5 s ASP 99 N -5.58 -0.04 -0.18 0.00 -1.08 -1.26 -5.07 116.67 103.45 1mm5 s ASP 99 Ca -0.13 -0.78 0.05 0.00 -0.52 0.00 0.00 52.55 51.16 1mm5 s ASP 99 Cb 0.14 0.48 -0.22 0.00 -1.46 0.00 0.00 42.92 41.87 1mm5 s ASP 99 CO 0.75 -0.96 0.11 1.21 0.52 0.00 0.00 175.17 176.80 1mm5 n GLU 100 N -0.26 0.68 0.21 4.34 4.07 -1.26 -4.06 120.64 124.36 1mm5 n GLU 100 Ca -0.07 0.17 0.07 0.00 -0.06 0.00 0.00 57.16 57.26 1mm5 n GLU 100 Cb 0.63 -1.61 0.60 0.00 -0.06 0.00 0.00 31.44 31.00 1mm5 n GLU 100 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1mm5 h ASN 101 N 0.02 0.10 -0.51 4.31 2.35 -1.97 -3.39 115.58 116.48 1mm5 h ASN 101 Ca -0.49 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.19 1mm5 h ASN 101 Cb 2.03 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.37 1mm5 h ASN 101 CO 0.01 0.07 0.22 0.12 -1.65 0.00 0.00 177.43 176.19 1mm5 s PHE 102 N -5.16 1.12 -0.26 1.19 2.19 -1.26 -4.40 117.98 111.40 1mm5 s PHE 102 Ca -0.06 1.96 -0.18 0.00 0.33 0.00 0.00 56.93 58.99 1mm5 s PHE 102 Cb 0.17 -3.44 -0.03 0.00 -1.31 0.00 0.00 43.02 38.41 1mm5 s PHE 102 CO 0.68 -1.69 0.52 -1.58 1.83 0.00 0.00 175.22 174.98 1mm5 s HIS 103 N 14.57 3.27 -0.25 10.12 2.46 -1.07 -4.11 115.29 140.28 1mm5 s HIS 103 Ca 0.93 0.65 -0.04 0.00 0.47 0.00 0.00 55.06 57.07 1mm5 s HIS 103 Cb -0.13 -2.72 0.01 0.00 -0.13 0.00 0.00 32.58 29.60 1mm5 s HIS 103 CO 0.10 -0.27 -0.01 -0.51 -2.47 0.00 0.00 174.74 171.58 1mm5 s LEU 104 N 2.28 3.24 -0.02 8.88 1.43 -1.07 -2.20 118.68 131.22 1mm5 s LEU 104 Ca 0.21 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1mm5 s LEU 104 Cb -0.16 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1mm5 s LEU 104 CO 0.09 -0.10 -0.15 -0.83 0.23 0.00 0.00 176.35 175.60 1mm5 s GLY 105 N 1.45 0.75 -0.08 -3.19 0.00 0.45 -0.42 107.32 106.27 1mm5 s GLY 105 Ca 0.03 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 1mm5 s GLY 105 CO -0.02 -0.45 0.21 1.08 0.00 0.00 0.00 173.10 173.93 1mm5 s LEU 106 N -0.21 1.18 0.00 0.66 1.43 -1.08 -0.41 118.68 120.26 1mm5 s LEU 106 Ca 0.03 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1mm5 s LEU 106 Cb -0.07 0.75 0.00 0.00 0.03 0.00 0.00 46.19 46.89 1mm5 s LEU 106 CO 0.00 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1mm5 n GLY 107 N 2.89 -0.60 3.44 -3.19 0.00 -1.07 -0.42 105.19 106.24 1mm5 n GLY 107 Ca -0.13 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1mm5 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mm5 s PHE 108 N -3.62 1.87 -0.05 1.61 0.40 -0.63 -2.20 117.98 115.35 1mm5 s PHE 108 Ca 0.00 -1.04 -0.08 0.00 -0.60 0.00 0.00 56.93 55.21 1mm5 s PHE 108 Cb 0.00 -1.20 0.02 0.00 0.51 0.00 0.00 43.02 42.35 1mm5 s PHE 108 CO 0.00 -0.09 0.20 0.95 0.70 0.00 0.00 175.22 176.97 1mm5 s THR 109 N -3.37 0.02 -0.04 0.64 -4.23 -1.02 -0.70 115.64 106.94 1mm5 s THR 109 Ca 0.35 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1mm5 s THR 109 Cb 0.08 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.59 1mm5 s THR 109 CO 0.15 -0.11 0.09 0.00 -0.54 0.00 0.00 174.62 174.22 1mm5 s ALA 110 N -0.33 -0.18 0.28 3.99 0.00 -1.07 -2.25 121.76 122.21 1mm5 s ALA 110 Ca -0.04 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1mm5 s ALA 110 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1mm5 s ALA 110 CO 0.01 -0.08 0.34 0.20 0.00 0.00 0.00 175.76 176.22 1mm5 s GLY 111 N 0.50 1.49 -0.01 0.00 0.00 -1.05 -0.41 107.32 107.84 1mm5 s GLY 111 Ca -0.04 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.15 1mm5 s GLY 111 CO -0.02 -1.15 -0.16 0.54 0.00 0.00 0.00 173.10 172.32 1mm5 s VAL 112 N -3.61 1.23 -0.06 1.40 0.11 -1.00 -0.42 120.40 118.05 1mm5 s VAL 112 Ca 0.34 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1mm5 s VAL 112 Cb 0.02 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1mm5 s VAL 112 CO 0.18 0.35 0.08 -0.89 -3.33 0.00 0.00 175.10 171.49 1mm5 s THR 113 N -0.32 4.85 -0.21 5.04 2.01 -0.99 -2.61 115.64 123.42 1mm5 s THR 113 Ca 0.05 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.73 1mm5 s THR 113 Cb -0.06 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 1mm5 s THR 113 CO -0.00 0.49 0.27 0.00 -0.69 0.00 0.00 174.62 174.69 1mm5 s ALA 114 N -1.07 3.60 -0.10 7.40 0.00 -0.95 -2.58 121.76 128.06 1mm5 s ALA 114 Ca 0.18 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1mm5 s ALA 114 Cb -0.12 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.61 1mm5 s ALA 114 CO 0.08 -0.13 0.24 1.03 0.00 0.00 0.00 175.76 176.98 1mm5 s ARG 115 N 0.95 0.22 -0.58 0.00 0.52 -1.26 -4.48 118.95 114.32 1mm5 s ARG 115 Ca 0.13 0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.78 1mm5 s ARG 115 Cb -0.14 -0.04 0.34 0.00 0.52 0.00 0.00 34.95 35.64 1mm5 s ARG 115 CO 0.05 -0.12 2.09 -0.25 0.02 0.00 0.00 175.30 177.09 1mm5 n ASP 116 N 3.80 7.25 0.11 0.23 8.00 -1.26 -2.45 116.55 132.24 1mm5 n ASP 116 Ca -0.21 -3.55 0.01 0.00 0.71 0.00 0.00 54.79 51.75 1mm5 n ASP 116 Cb 0.55 -1.03 0.33 0.00 -0.02 0.00 0.00 41.12 40.95 1mm5 n ASP 116 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1mm5 h ASN 117 N 2.04 0.22 0.00 -2.24 -1.07 -1.96 -3.42 115.58 109.16 1mm5 h ASN 117 Ca 0.50 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.81 1mm5 h ASN 117 Cb 0.74 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.93 1mm5 h ASN 117 CO 1.29 0.47 -0.07 1.87 0.07 0.00 0.00 177.43 181.06 1mm5 n TRP 118 N -4.18 -1.34 -2.68 4.14 -0.00 -1.26 -5.02 117.44 107.09 1mm5 n TRP 118 Ca -0.01 0.24 -0.06 0.00 -0.00 0.00 0.00 57.50 57.67 1mm5 n TRP 118 Cb 0.34 0.46 0.08 0.00 -0.00 0.00 0.00 31.31 32.19 1mm5 n TRP 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1mm5 n ASN 119 N -3.15 -1.63 -3.00 5.87 4.13 -1.26 -5.03 115.26 111.19 1mm5 n ASN 119 Ca 0.00 -2.19 -0.00 0.00 1.68 0.00 0.00 54.58 54.07 1mm5 n ASN 119 Cb 0.04 0.98 0.00 0.00 -1.54 0.00 0.00 39.78 39.25 1mm5 n ASN 119 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mm5 n TYR 120 N -0.62 -2.85 -3.29 3.10 9.36 -1.17 -4.98 117.16 116.71 1mm5 n TYR 120 Ca -0.11 1.09 -0.40 0.00 3.32 0.00 0.00 57.90 61.80 1mm5 n TYR 120 Cb 0.79 -4.01 -0.08 0.00 -0.63 0.00 0.00 39.34 35.41 1mm5 n TYR 120 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1mm5 s ILE 121 N -3.01 5.11 -0.12 2.97 -1.16 -1.03 -4.90 121.20 119.06 1mm5 s ILE 121 Ca 0.01 0.75 -0.29 0.00 -0.51 0.00 0.00 60.65 60.60 1mm5 s ILE 121 Cb -0.00 -3.78 -0.03 0.00 0.61 0.00 0.00 42.46 39.26 1mm5 s ILE 121 CO 0.72 0.11 1.42 -2.16 -2.81 0.00 0.00 174.94 172.21 1mm5 s PRO 122 N 2.22 4.21 -0.72 3.50 0.04 -1.26 -4.20 135.00 138.79 1mm5 s PRO 122 Ca 0.19 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1mm5 s PRO 122 Cb -0.16 -3.85 0.19 0.00 0.04 0.00 0.00 34.50 30.72 1mm5 s PRO 122 CO 0.10 -0.76 0.63 -0.51 0.04 0.00 0.00 177.00 176.49 1mm5 s LEU 123 N 3.69 6.27 0.65 -3.56 1.43 -1.07 -4.90 118.68 121.19 1mm5 s LEU 123 Ca 0.62 -2.56 -0.16 0.00 -1.03 0.00 0.00 54.13 51.01 1mm5 s LEU 123 Cb -0.26 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 1mm5 s LEU 123 CO 0.21 -0.57 1.12 -2.16 0.23 0.00 0.00 176.35 175.18 1mm5 s PRO 124 N 0.37 2.80 0.02 1.29 0.04 -1.26 -2.34 135.00 135.92 1mm5 s PRO 124 Ca 0.15 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 62.59 1mm5 s PRO 124 Cb -0.16 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 1mm5 s PRO 124 CO -0.06 -1.26 0.12 0.08 0.04 0.00 0.00 177.00 175.92 1mm5 s VAL 125 N -2.23 0.10 -0.05 -0.36 1.01 0.44 -4.96 120.40 114.36 1mm5 s VAL 125 Ca 0.69 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1mm5 s VAL 125 Cb -0.22 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1mm5 s VAL 125 CO 0.40 -0.48 0.09 -0.22 0.00 0.00 0.00 175.10 174.89 1mm5 s LEU 126 N -1.70 0.16 -0.14 3.92 1.98 -1.26 -2.53 118.68 119.11 1mm5 s LEU 126 Ca -0.11 0.15 -0.11 0.00 -2.89 0.00 0.00 54.13 51.17 1mm5 s LEU 126 Cb -0.05 -0.01 0.04 0.00 0.66 0.00 0.00 46.19 46.83 1mm5 s LEU 126 CO -0.01 -0.24 0.36 -1.48 -1.89 0.00 0.00 176.35 173.09 1mm5 s LEU 127 N 2.10 0.42 0.53 -0.68 0.05 -0.95 -5.04 118.68 115.11 1mm5 s LEU 127 Ca 0.03 0.74 -0.17 0.00 0.05 0.00 0.00 54.13 54.78 1mm5 s LEU 127 Cb -0.12 1.20 -0.06 0.00 -2.05 0.00 0.00 46.19 45.16 1mm5 s LEU 127 CO -0.04 -0.15 1.03 -2.16 -0.55 0.00 0.00 176.35 174.48 1mm5 s PRO 128 N 0.62 3.66 0.01 1.48 0.04 -1.26 -2.44 135.00 137.10 1mm5 s PRO 128 Ca -0.03 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1mm5 s PRO 128 Cb -0.05 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1mm5 s PRO 128 CO -0.04 -0.53 0.95 -0.48 0.04 0.00 0.00 177.00 176.94 1mm5 s LEU 129 N -4.03 -0.29 0.20 -3.56 0.05 -0.93 -2.59 118.68 107.51 1mm5 s LEU 129 Ca 0.63 -0.08 0.08 0.00 0.05 0.00 0.00 54.13 54.81 1mm5 s LEU 129 Cb -0.14 1.96 -0.05 0.00 -2.05 0.00 0.00 46.19 45.92 1mm5 s LEU 129 CO 0.29 -0.63 -0.16 0.00 -0.55 0.00 0.00 176.35 175.31 1mm5 s ALA 130 N -3.06 2.08 0.02 1.48 0.00 -0.58 -2.61 121.76 119.09 1mm5 s ALA 130 Ca 0.07 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.45 1mm5 s ALA 130 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1mm5 s ALA 130 CO -0.06 0.13 -0.16 0.45 0.00 0.00 0.00 175.76 176.12 1mm5 s SER 131 N -3.15 1.86 -0.14 0.00 0.15 0.45 -1.80 113.70 111.06 1mm5 s SER 131 Ca 0.21 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.41 1mm5 s SER 131 Cb -0.03 -0.15 0.07 0.00 -1.71 0.00 0.00 66.02 64.20 1mm5 s SER 131 CO 0.08 0.11 0.21 -0.69 1.20 0.00 0.00 173.24 174.14 1mm5 s VAL 132 N -0.69 -0.33 0.05 4.45 1.01 0.43 -0.42 120.40 124.92 1mm5 s VAL 132 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1mm5 s VAL 132 Cb -0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1mm5 s VAL 132 CO 0.01 -0.00 0.18 -0.83 0.00 0.00 0.00 175.10 174.46 1mm5 s GLY 133 N 2.34 2.15 -0.26 4.51 0.00 -0.93 -0.42 107.32 114.72 1mm5 s GLY 133 Ca 0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1mm5 s GLY 133 CO -0.09 -0.83 0.47 -0.47 0.00 0.00 0.00 173.10 172.18 1mm5 s TYR 134 N -1.46 -1.10 0.00 1.90 5.04 0.32 -2.60 117.35 119.46 1mm5 s TYR 134 Ca 0.33 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1mm5 s TYR 134 Cb -0.13 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.46 1mm5 s TYR 134 CO 0.25 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 174.14 1mm5 n GLY 135 N 5.39 3.38 1.27 8.97 0.00 -1.26 -1.92 105.19 121.02 1mm5 n GLY 135 Ca -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1mm5 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mm5 n PRO 136 N 14.00 2.14 -3.85 1.61 -0.04 -1.26 -4.84 135.00 142.76 1mm5 n PRO 136 Ca 0.00 -1.28 -0.12 0.00 -0.04 0.00 0.00 63.50 62.06 1mm5 n PRO 136 Cb 0.00 -1.67 -0.13 0.00 -0.04 0.00 0.00 33.50 31.66 1mm5 n PRO 136 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mm5 s VAL 137 N -1.57 0.01 -0.09 0.52 0.11 -0.81 -4.86 120.40 113.71 1mm5 s VAL 137 Ca 0.23 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1mm5 s VAL 137 Cb 0.18 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.91 1mm5 s VAL 137 CO 0.06 -0.04 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.73 1mm5 s THR 138 N -0.10 1.51 -0.01 5.04 2.01 -1.00 -0.52 115.64 122.57 1mm5 s THR 138 Ca -0.01 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1mm5 s THR 138 Cb -0.01 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1mm5 s THR 138 CO 0.00 0.44 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.99 1mm5 s PHE 139 N 0.70 3.02 -0.04 4.92 0.40 0.45 -1.04 117.98 126.38 1mm5 s PHE 139 Ca -0.13 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1mm5 s PHE 139 Cb -0.16 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 41.73 1mm5 s PHE 139 CO 0.03 0.43 0.03 -1.14 0.70 0.00 0.00 175.22 175.27 1mm5 s GLN 140 N -1.43 0.15 -0.03 0.44 -0.44 -0.72 -0.42 119.66 117.21 1mm5 s GLN 140 Ca 0.18 0.23 0.01 0.00 -2.50 0.00 0.00 55.36 53.28 1mm5 s GLN 140 Cb -0.11 -0.56 -0.03 0.00 -1.64 0.00 0.00 33.01 30.67 1mm5 s GLN 140 CO 0.08 -0.25 -0.03 1.41 0.50 0.00 0.00 175.29 177.00 1mm5 s MET 141 N 1.70 2.76 0.14 1.67 -2.45 -0.75 -1.18 119.30 121.19 1mm5 s MET 141 Ca -0.01 -0.59 0.09 0.00 -1.25 0.00 0.00 55.69 53.94 1mm5 s MET 141 Cb -0.13 -2.64 -0.04 0.00 1.25 0.00 0.00 34.83 33.28 1mm5 s MET 141 CO -0.03 0.64 -0.22 0.95 1.05 0.00 0.00 175.02 177.41 1mm5 s THR 142 N -0.98 1.98 -0.06 10.11 -4.23 0.44 -1.53 115.64 121.37 1mm5 s THR 142 Ca 0.16 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1mm5 s THR 142 Cb -0.11 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.93 1mm5 s THR 142 CO 0.07 -0.10 0.01 -0.31 -0.54 0.00 0.00 174.62 173.75 1mm5 s TYR 143 N -1.44 0.52 -0.17 3.99 1.51 -1.07 -1.43 117.35 119.26 1mm5 s TYR 143 Ca 0.13 -0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.06 1mm5 s TYR 143 Cb -0.09 -0.69 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1mm5 s TYR 143 CO 0.06 -0.27 0.01 -1.50 -1.11 0.00 0.00 175.55 172.75 1mm5 s ILE 144 N 1.82 4.36 0.89 2.71 1.10 -1.07 -4.08 121.20 126.94 1mm5 s ILE 144 Ca 0.02 -0.19 -0.13 0.00 -0.51 0.00 0.00 60.65 59.84 1mm5 s ILE 144 Cb -0.12 -2.94 0.03 0.00 0.15 0.00 0.00 42.46 39.57 1mm5 s ILE 144 CO -0.04 0.48 0.50 -2.65 -2.11 0.00 0.00 174.94 171.12 1mm5 n PRO 145 N 3.53 -0.14 -2.19 3.50 -0.02 -1.26 -4.22 135.00 134.20 1mm5 n PRO 145 Ca -0.17 0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.29 1mm5 n PRO 145 Cb 0.52 -1.90 0.08 0.00 -0.02 0.00 0.00 33.50 32.18 1mm5 n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mm5 n GLY 146 N 1.44 1.30 2.59 -1.23 0.00 -1.26 -4.91 105.19 103.11 1mm5 n GLY 146 Ca 0.08 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1mm5 n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mm5 n THR 147 N -1.06 -1.26 -4.35 2.61 -1.04 -1.26 -4.89 114.28 103.02 1mm5 n THR 147 Ca -0.16 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.66 1mm5 n THR 147 Cb 0.78 -3.07 -0.14 0.00 -1.82 0.00 0.00 70.33 66.08 1mm5 n THR 147 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1mm5 s TYR 148 N -3.07 0.90 0.11 -1.42 6.14 -1.26 -5.04 117.35 113.72 1mm5 s TYR 148 Ca 0.09 -0.22 0.04 0.00 0.64 0.00 0.00 57.07 57.62 1mm5 s TYR 148 Cb -0.04 -0.56 -0.22 0.00 0.42 0.00 0.00 41.96 41.56 1mm5 s TYR 148 CO 0.11 -0.01 1.26 -0.91 0.64 0.00 0.00 175.55 176.64 1mm5 h ASN 149 N 5.61 0.10 -0.80 4.32 2.35 -2.05 -3.24 115.58 121.87 1mm5 h ASN 149 Ca -0.33 -0.10 -0.33 0.00 -0.55 0.00 0.00 56.30 54.99 1mm5 h ASN 149 Cb 1.18 -0.03 -0.20 0.00 0.05 0.00 0.00 38.32 39.32 1mm5 h ASN 149 CO 0.48 1.07 0.42 -3.20 -1.65 0.00 0.00 177.43 174.55 1mm5 n ASN 150 N -3.40 4.19 -0.49 5.81 4.05 -1.26 -5.04 115.26 119.12 1mm5 n ASN 150 Ca -0.02 -3.28 0.06 0.00 0.45 0.00 0.00 54.58 51.79 1mm5 n ASN 150 Cb 0.95 -0.77 -0.02 0.00 1.23 0.00 0.00 39.78 41.17 1mm5 n ASN 150 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mm5 n GLY 151 N -0.53 -2.30 1.38 8.20 0.00 -1.22 -4.99 105.19 105.73 1mm5 n GLY 151 Ca 0.46 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1mm5 n GLY 151 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mm5 n ASN 152 N -3.06 0.46 -3.80 1.61 5.15 -1.26 -4.78 115.26 109.57 1mm5 n ASN 152 Ca -0.02 0.19 -0.12 0.00 -0.60 0.00 0.00 54.58 54.03 1mm5 n ASN 152 Cb 0.23 -0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 39.33 1mm5 n ASN 152 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1mm5 s VAL 153 N -2.00 0.04 0.01 3.44 -7.23 -1.26 -5.11 120.40 108.30 1mm5 s VAL 153 Ca 0.00 -0.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.83 1mm5 s VAL 153 Cb 0.00 -0.48 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 1mm5 s VAL 153 CO 0.00 -0.20 -0.11 -0.72 -0.31 0.00 0.00 175.10 173.76 1mm5 s TYR 154 N -0.83 0.93 -0.10 2.82 1.13 -1.26 -2.59 117.35 117.45 1mm5 s TYR 154 Ca -0.09 -0.26 0.01 0.00 -1.41 0.00 0.00 57.07 55.32 1mm5 s TYR 154 Cb -0.05 -0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 40.21 1mm5 s TYR 154 CO 0.02 -0.01 -0.11 -0.06 -2.51 0.00 0.00 175.55 172.89 1mm5 s PHE 155 N -0.55 2.84 0.18 -3.49 0.08 -0.51 -4.21 117.98 112.31 1mm5 s PHE 155 Ca 0.01 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1mm5 s PHE 155 Cb -0.06 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1mm5 s PHE 155 CO 0.00 0.03 0.33 0.00 -0.10 0.00 0.00 175.22 175.48 1mm5 s ALA 156 N -0.16 3.91 -0.16 5.36 0.00 -0.96 -0.42 121.76 129.34 1mm5 s ALA 156 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.80 1mm5 s ALA 156 Cb -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 23.12 21.18 1mm5 s ALA 156 CO 0.03 0.46 0.50 -1.58 0.00 0.00 0.00 175.76 175.17 1mm5 s TRP 157 N -1.82 -0.52 0.28 0.00 0.52 -0.33 -3.33 118.94 113.74 1mm5 s TRP 157 Ca 0.36 1.22 -0.05 0.00 0.02 0.00 0.00 56.10 57.65 1mm5 s TRP 157 Cb -0.11 0.20 -0.05 0.00 -1.15 0.00 0.00 33.47 32.36 1mm5 s TRP 157 CO 0.29 -0.31 0.55 -1.64 0.02 0.00 0.00 176.95 175.86 1mm5 s MET 158 N -0.02 3.65 -0.04 4.98 -1.94 0.29 -1.76 119.30 124.45 1mm5 s MET 158 Ca -0.02 0.03 -0.02 0.00 -1.71 0.00 0.00 55.69 53.97 1mm5 s MET 158 Cb -0.03 -2.65 0.03 0.00 2.01 0.00 0.00 34.83 34.19 1mm5 s MET 158 CO 0.02 0.22 0.05 0.50 -0.01 0.00 0.00 175.02 175.81 1mm5 s ARG 159 N -3.48 -0.02 -0.06 2.03 3.52 -0.21 -2.59 118.95 118.15 1mm5 s ARG 159 Ca 0.44 0.35 0.03 0.00 -0.13 0.00 0.00 55.73 56.42 1mm5 s ARG 159 Cb -0.11 -0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 32.71 1mm5 s ARG 159 CO 0.29 -0.33 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.27 1mm5 s PHE 160 N 2.14 2.75 -0.32 5.12 0.40 -1.07 -2.38 117.98 124.62 1mm5 s PHE 160 Ca 0.05 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 1mm5 s PHE 160 Cb -0.12 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 1mm5 s PHE 160 CO -0.03 0.19 0.19 -1.14 0.70 0.00 0.00 175.22 175.12 1mm5 s GLN 161 N -0.67 3.41 -0.12 0.44 0.74 -1.26 -1.77 119.66 120.43 1mm5 s GLN 161 Ca 0.10 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.83 1mm5 s GLN 161 Cb -0.11 -3.66 -0.01 0.00 1.10 0.00 0.00 33.01 30.33 1mm5 s GLN 161 CO 0.01 -0.42 -0.16 0.12 -0.55 0.00 0.00 175.29 174.29 1mm5 s PHE 162 N 1.66 2.75 -0.08 1.67 5.36 0.12 -5.00 117.98 124.47 1mm5 s PHE 162 Ca 0.05 -0.72 0.01 0.00 -0.96 0.00 0.00 56.93 55.31 1mm5 s PHE 162 Cb -0.17 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1mm5 s PHE 162 CO 0.08 -0.25 -0.08 -0.48 -1.46 0.00 0.00 175.22 173.03 1mm5 s LEU 163 N 0.32 3.10 -0.19 6.12 2.34 -1.26 -1.78 118.68 127.34 1mm5 s LEU 163 Ca -0.12 -0.07 -0.19 0.00 0.06 0.00 0.00 54.13 53.80 1mm5 s LEU 163 Cb -0.16 -1.68 0.05 0.00 -0.56 0.00 0.00 46.19 43.84 1mm5 s LEU 163 CO 0.06 0.33 0.55 -0.70 -1.06 0.00 0.00 176.35 175.53 1mm5 s GLU 164 N -0.62 0.66 0.24 1.48 -6.30 -1.26 -5.05 118.70 107.85 1mm5 s GLU 164 Ca 0.09 0.70 -0.04 0.00 -2.50 0.00 0.00 54.97 53.21 1mm5 s GLU 164 Cb -0.12 0.32 -0.02 0.00 0.00 0.00 0.00 34.13 34.31 1mm5 s GLU 164 CO 0.02 -0.09 0.29 -3.38 0.02 0.00 0.00 175.26 172.11 1mm5 s HIS 165 N 0.14 0.93 0.08 5.30 -3.43 -1.26 -5.03 115.29 112.02 1mm5 s HIS 165 Ca -0.01 -1.18 0.00 0.00 -0.80 0.00 0.00 55.06 53.07 1mm5 s HIS 165 Cb -0.04 -0.27 0.00 0.00 -1.43 0.00 0.00 32.58 30.84 1mm5 s HIS 165 CO 0.01 -0.82 0.00 -2.39 -2.00 0.00 0.00 174.74 169.54 1mm5 n HIS 166 N -0.36 -0.52 -2.73 0.38 1.44 -1.26 -5.12 115.22 107.05 1mm5 n HIS 166 Ca 0.01 0.09 -0.02 0.00 -2.01 0.00 0.00 57.72 55.79 1mm5 n HIS 166 Cb 0.64 0.27 -0.02 0.00 0.12 0.00 0.00 29.99 31.00 1mm5 n HIS 166 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1mm5 n HIS 167 N -3.05 -3.76 0.18 -1.40 -0.00 -1.26 -4.91 115.22 101.02 1mm5 n HIS 167 Ca 0.00 1.87 -0.14 0.00 0.46 0.00 0.00 57.72 59.90 1mm5 n HIS 167 Cb 0.15 -3.68 -0.08 0.00 -0.12 0.00 0.00 29.99 26.26 1mm5 n HIS 167 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1mm5 h HIS 168 N 3.52 -0.35 0.00 1.57 2.76 -2.08 -3.44 115.15 117.13 1mm5 h HIS 168 Ca -0.18 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1mm5 h HIS 168 Cb 0.48 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1mm5 h HIS 168 CO 0.01 -0.21 0.00 0.72 -1.30 0.00 0.00 177.93 177.14 1mm5 n HIS 169 N -5.25 0.00 1.16 5.26 8.25 -1.26 -5.36 115.22 118.02 1mm5 n HIS 169 Ca -0.10 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.46 1mm5 n HIS 169 Cb 0.17 0.00 0.55 0.00 1.12 0.00 0.00 29.99 31.83 1mm5 n HIS 169 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56