#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orp s LEU 2 N 0.00 2.11 0.61 4.03 1.43 -0.24 -5.04 118.68 121.58 1orp s LEU 2 Ca 0.00 0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1orp s LEU 2 Cb 0.00 -3.32 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 1orp s LEU 2 CO 0.00 -2.43 0.94 0.42 0.23 0.00 0.00 176.35 175.52 1orp s THR 3 N -3.31 3.90 0.20 5.49 -4.23 -1.26 -4.87 115.64 111.56 1orp s THR 3 Ca 0.63 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 61.28 1orp s THR 3 Cb -0.14 -3.56 0.13 0.00 1.34 0.00 0.00 72.50 70.27 1orp s THR 3 CO 0.53 -0.63 1.82 0.07 -0.54 0.00 0.00 174.62 175.87 1orp h LYS 4 N -0.25 0.69 -0.79 3.99 -0.00 -1.99 -0.64 116.57 117.57 1orp h LYS 4 Ca -0.45 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.65 60.14 1orp h LYS 4 Cb 1.24 -0.15 -0.04 0.00 -0.00 0.00 0.00 32.23 33.28 1orp h LYS 4 CO 0.62 0.45 0.45 1.96 -0.00 0.00 0.00 179.45 182.93 1orp h GLN 5 N 0.71 1.09 0.04 0.07 7.50 -1.99 -1.23 115.11 121.30 1orp h GLN 5 Ca 0.28 -0.11 -0.00 0.00 0.50 0.00 0.00 58.65 59.31 1orp h GLN 5 Cb 0.12 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.43 1orp h GLN 5 CO -0.15 0.79 -0.02 1.96 -1.50 0.00 0.00 178.83 179.91 1orp h GLN 6 N 1.10 -0.05 -0.07 1.46 4.20 -1.67 -0.69 115.11 119.39 1orp h GLN 6 Ca 0.28 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.03 1orp h GLN 6 Cb 0.00 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1orp h GLN 6 CO -0.05 0.13 -0.41 0.82 -0.67 0.00 0.00 178.83 178.65 1orp h ILE 7 N -0.22 0.16 -0.54 2.54 1.08 -0.69 0.38 117.51 120.23 1orp h ILE 7 Ca -0.00 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.61 1orp h ILE 7 Cb 0.20 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 1orp h ILE 7 CO 0.01 0.00 0.38 0.03 -0.69 0.00 0.00 178.15 177.88 1orp h ARG 8 N -0.52 0.05 -0.32 2.37 3.08 -1.16 0.19 114.38 118.07 1orp h ARG 8 Ca 0.06 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1orp h ARG 8 Cb 0.63 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1orp h ARG 8 CO -0.35 0.03 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.42 1orp h TYR 9 N 0.05 0.85 -0.52 3.04 3.20 0.12 0.23 116.97 123.94 1orp h TYR 9 Ca 0.26 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1orp h TYR 9 Cb 0.95 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1orp h TYR 9 CO -0.00 0.97 0.18 0.00 -1.64 0.00 0.00 178.16 177.68 1orp h LEU 11 N 0.71 0.59 -2.05 0.00 3.38 -0.93 -1.44 115.31 115.57 1orp h LEU 11 Ca 0.17 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1orp h LEU 11 Cb 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1orp h LEU 11 CO -0.01 0.82 0.07 -0.78 0.09 0.00 0.00 178.44 178.62 1orp h ASP 12 N 0.36 0.00 0.07 -0.43 1.82 -0.85 -0.54 116.42 116.85 1orp h ASP 12 Ca 0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1orp h ASP 12 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1orp h ASP 12 CO 0.03 0.00 -0.03 -0.08 -1.61 0.00 0.00 179.24 177.55 1orp h GLU 13 N 0.00 -0.09 -0.94 0.28 4.57 -1.03 -3.08 114.58 114.30 1orp h GLU 13 Ca 0.04 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.43 1orp h GLU 13 Cb 0.17 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 1orp h GLU 13 CO -0.00 0.49 0.61 0.52 -1.18 0.00 0.00 179.01 179.45 1orp h MET 14 N -0.81 0.48 -0.94 1.92 2.86 -0.68 0.29 114.93 118.06 1orp h MET 14 Ca -0.01 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1orp h MET 14 Cb 0.62 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1orp h MET 14 CO 0.02 0.32 0.62 0.00 1.06 0.00 0.00 176.91 178.92 1orp h ALA 15 N 1.61 1.37 0.00 6.32 0.00 -1.08 -0.65 119.26 126.83 1orp h ALA 15 Ca 0.50 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 1orp h ALA 15 Cb 1.12 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1orp h ALA 15 CO -0.23 0.56 -0.65 0.87 0.00 0.00 0.00 179.25 179.80 1orp h LYS 16 N 1.22 0.00 0.03 0.00 1.57 -0.38 -2.77 116.57 116.24 1orp h LYS 16 Ca 0.36 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.92 1orp h LYS 16 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1orp h LYS 16 CO -0.09 0.65 -0.97 0.52 -0.57 0.00 0.00 179.45 178.99 1orp h MET 17 N 0.00 0.20 -2.19 3.15 2.86 -0.58 -3.39 114.93 114.98 1orp h MET 17 Ca -0.01 -0.25 -0.58 0.00 -2.06 0.00 0.00 59.70 56.80 1orp h MET 17 Cb 1.38 0.08 -0.39 0.00 0.06 0.00 0.00 31.60 32.73 1orp h MET 17 CO 0.09 1.02 -0.98 1.19 1.06 0.00 0.00 176.91 179.29 1orp n PHE 18 N -3.60 0.16 0.65 -0.22 3.72 -0.31 -4.95 117.46 112.91 1orp n PHE 18 Ca -0.04 -3.60 0.11 0.00 -0.05 0.00 0.00 57.45 53.86 1orp n PHE 18 Cb 0.87 -0.22 0.45 0.00 -0.94 0.00 0.00 39.48 39.64 1orp n PHE 18 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1orp n PRO 19 N 1.78 0.06 -0.35 -1.08 -0.04 -1.05 -2.94 135.00 131.39 1orp n PRO 19 Ca 0.25 0.20 0.07 0.00 -0.04 0.00 0.00 63.50 63.98 1orp n PRO 19 Cb 0.49 -1.60 0.22 0.00 -0.04 0.00 0.00 33.50 32.57 1orp n PRO 19 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1orp n ASP 20 N -1.72 3.54 -4.68 3.54 5.75 -1.26 -5.02 116.55 116.70 1orp n ASP 20 Ca 0.05 -2.60 -0.45 0.00 -0.01 0.00 0.00 54.79 51.78 1orp n ASP 20 Cb 0.26 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 39.90 1orp n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1orp n ALA 21 N -0.06 1.72 -3.16 2.12 0.00 -1.15 -4.97 120.51 115.01 1orp n ALA 21 Ca 0.18 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 1orp n ALA 21 Cb 0.71 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1orp n ALA 21 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1orp s HIS 22 N 0.75 0.84 -0.02 0.00 0.00 -1.26 -4.77 115.29 110.82 1orp s HIS 22 Ca 0.75 -1.20 -0.30 0.00 -3.00 0.00 0.00 55.06 51.32 1orp s HIS 22 Cb -0.63 0.19 -0.03 0.00 -4.00 0.00 0.00 32.58 28.11 1orp s HIS 22 CO 0.39 -1.30 1.12 0.00 -1.00 0.00 0.00 174.74 173.95 1orp n GLU 24 N 4.58 3.26 -3.21 0.00 1.02 -1.26 -4.88 120.64 120.14 1orp n GLU 24 Ca 0.09 -2.50 -0.40 0.00 -0.02 0.00 0.00 57.16 54.34 1orp n GLU 24 Cb 0.48 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 1orp n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1orp s LEU 25 N -1.56 4.13 -0.10 -4.62 1.43 -1.26 -4.93 118.68 111.77 1orp s LEU 25 Ca 0.45 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 1orp s LEU 25 Cb 0.28 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1orp s LEU 25 CO 0.23 -0.23 1.39 -0.69 0.23 0.00 0.00 176.35 177.28 1orp s VAL 26 N 1.84 4.00 -0.09 -1.59 1.01 -1.26 -4.99 120.40 119.32 1orp s VAL 26 Ca 0.25 1.25 -0.22 0.00 0.00 0.00 0.00 61.98 63.25 1orp s VAL 26 Cb -0.16 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1orp s VAL 26 CO 0.10 -0.09 0.53 -1.38 0.00 0.00 0.00 175.10 174.26 1orp s HIS 27 N 3.38 -0.49 -0.68 5.22 -0.00 -1.26 -4.91 115.29 116.56 1orp s HIS 27 Ca 0.61 0.96 0.17 0.00 -0.00 0.00 0.00 55.06 56.81 1orp s HIS 27 Cb -0.27 0.25 -0.20 0.00 -0.00 0.00 0.00 32.58 32.36 1orp s HIS 27 CO 0.21 -0.45 0.67 0.54 -0.00 0.00 0.00 174.74 175.72 1orp n ARG 28 N 1.58 1.17 -3.70 -0.38 1.74 -1.26 -4.96 116.66 110.85 1orp n ARG 28 Ca -0.18 -0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.78 1orp n ARG 28 Cb 0.56 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.65 1orp n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1orp s ASN 29 N -2.88 -0.37 0.31 0.55 2.20 -1.26 -5.04 114.94 108.46 1orp s ASN 29 Ca 0.04 -0.39 0.08 0.00 -0.94 0.00 0.00 52.86 51.65 1orp s ASN 29 Cb 0.13 0.67 0.87 0.00 -2.00 0.00 0.00 41.25 40.92 1orp s ASN 29 CO 0.71 -1.20 1.69 -0.65 -2.94 0.00 0.00 177.10 174.72 1orp h PRO 30 N 2.02 0.40 -0.31 3.55 0.11 -1.96 0.41 132.00 136.21 1orp h PRO 30 Ca -0.25 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1orp h PRO 30 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1orp h PRO 30 CO 0.29 0.26 0.03 0.35 -0.21 0.00 0.00 178.00 178.72 1orp h PHE 31 N 0.41 0.57 -0.30 0.65 3.57 -1.97 0.21 116.94 120.08 1orp h PHE 31 Ca 0.63 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.97 1orp h PHE 31 Cb 1.28 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1orp h PHE 31 CO -0.08 0.64 -0.11 0.93 -2.23 0.00 0.00 178.31 177.45 1orp h GLU 32 N 0.34 0.51 -0.09 1.11 5.08 -1.58 -2.17 114.58 117.78 1orp h GLU 32 Ca 0.09 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1orp h GLU 32 Cb 0.39 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1orp h GLU 32 CO 0.01 0.62 -0.00 1.25 -1.00 0.00 0.00 179.01 179.89 1orp h LEU 33 N 0.47 0.16 -0.11 1.33 5.85 -0.50 -1.09 115.31 121.43 1orp h LEU 33 Ca 0.09 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1orp h LEU 33 Cb 0.49 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1orp h LEU 33 CO 0.03 0.44 -0.30 0.25 -0.34 0.00 0.00 178.44 178.52 1orp h LEU 34 N -0.12 -0.92 -0.56 2.25 5.85 -0.32 0.92 115.31 122.41 1orp h LEU 34 Ca 0.03 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1orp h LEU 34 Cb 0.36 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1orp h LEU 34 CO 0.01 -0.34 0.34 0.40 -0.34 0.00 0.00 178.44 178.50 1orp h ILE 35 N -0.39 1.07 -0.58 4.05 1.08 -1.40 -1.79 117.51 119.56 1orp h ILE 35 Ca 0.09 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 1orp h ILE 35 Cb 0.52 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 1orp h ILE 35 CO -0.32 0.12 0.32 0.00 -0.69 0.00 0.00 178.15 177.58 1orp h ALA 36 N 1.24 0.75 -0.03 1.87 0.00 -0.30 -1.96 119.26 120.84 1orp h ALA 36 Ca 0.23 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1orp h ALA 36 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1orp h ALA 36 CO -0.09 0.00 -0.60 0.28 0.00 0.00 0.00 179.25 178.84 1orp h VAL 37 N 0.61 1.41 -0.42 0.00 2.07 -0.62 -1.62 116.25 117.68 1orp h VAL 37 Ca 0.25 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 1orp h VAL 37 Cb 0.12 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1orp h VAL 37 CO -0.15 0.58 0.00 0.58 0.02 0.00 0.00 177.57 178.61 1orp h VAL 38 N 0.07 1.26 0.00 2.57 2.07 -0.95 -2.44 116.25 118.83 1orp h VAL 38 Ca -0.01 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1orp h VAL 38 Cb 1.07 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1orp h VAL 38 CO 0.08 0.35 -0.12 -0.07 0.02 0.00 0.00 177.57 177.83 1orp h LEU 39 N 0.57 0.00 -0.91 2.57 3.38 -1.27 -3.08 115.31 116.57 1orp h LEU 39 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1orp h LEU 39 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1orp h LEU 39 CO 0.02 0.12 0.00 -1.28 0.09 0.00 0.00 178.44 177.39 1orp h SER 40 N 0.00 0.00 -2.51 -0.43 0.87 -0.78 -3.43 113.55 107.27 1orp h SER 40 Ca -0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1orp h SER 40 Cb 0.62 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.62 1orp h SER 40 CO 0.02 0.00 1.13 0.00 -0.53 0.00 0.00 176.83 177.44 1orp s ALA 41 N -3.42 3.76 -1.42 6.23 0.00 -1.17 -2.23 121.76 123.50 1orp s ALA 41 Ca 0.04 1.46 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 1orp s ALA 41 Cb 0.09 -3.77 0.04 0.00 0.00 0.00 0.00 23.12 19.48 1orp s ALA 41 CO 0.47 -1.26 1.03 1.04 0.00 0.00 0.00 175.76 177.04 1orp n GLN 42 N 5.80 -6.42 -3.72 0.00 1.13 -1.26 -4.97 117.38 107.94 1orp n GLN 42 Ca 0.18 0.70 -0.10 0.00 -1.94 0.00 0.00 57.00 55.84 1orp n GLN 42 Cb 0.38 -5.62 -0.04 0.00 0.11 0.00 0.00 30.24 25.07 1orp n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1orp s THR 44 N -3.87 5.14 0.16 0.00 -4.23 -1.26 -4.90 115.64 106.68 1orp s THR 44 Ca 0.09 0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.52 1orp s THR 44 Cb -0.01 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.25 1orp s THR 44 CO -0.03 0.02 1.74 0.44 -0.54 0.00 0.00 174.62 176.24 1orp h ASP 45 N 2.77 0.67 -0.76 3.99 3.45 -1.94 -1.10 116.42 123.50 1orp h ASP 45 Ca -0.46 -0.13 0.11 0.00 0.43 0.00 0.00 57.03 56.98 1orp h ASP 45 Cb 1.17 -0.17 -0.08 0.00 -0.56 0.00 0.00 39.33 39.68 1orp h ASP 45 CO 0.72 0.61 0.37 0.00 -1.57 0.00 0.00 179.24 179.38 1orp h ALA 46 N 1.08 1.08 0.01 3.45 0.00 -1.95 0.89 119.26 123.81 1orp h ALA 46 Ca 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1orp h ALA 46 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1orp h ALA 46 CO -0.02 -0.07 -0.00 1.25 0.00 0.00 0.00 179.25 180.41 1orp h LEU 47 N 0.60 -0.01 -0.95 0.00 7.12 -1.89 -2.03 115.31 118.15 1orp h LEU 47 Ca 0.39 -0.23 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 1orp h LEU 47 Cb 0.47 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.57 1orp h LEU 47 CO -0.31 0.23 0.37 0.58 -0.13 0.00 0.00 178.44 179.17 1orp h VAL 48 N -0.24 1.25 -0.02 1.05 2.07 -0.12 -2.02 116.25 118.21 1orp h VAL 48 Ca -0.00 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1orp h VAL 48 Cb 0.24 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1orp h VAL 48 CO 0.00 0.30 -0.40 0.78 0.02 0.00 0.00 177.57 178.27 1orp h ASN 49 N 1.11 0.05 0.29 0.57 2.35 0.84 -1.13 115.58 119.65 1orp h ASN 49 Ca 0.27 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1orp h ASN 49 Cb 0.12 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1orp h ASN 49 CO -0.03 0.45 -0.14 0.11 -1.65 0.00 0.00 177.43 176.17 1orp h LYS 50 N 0.04 -0.38 -0.55 0.81 6.56 -0.79 -2.44 116.57 119.82 1orp h LYS 50 Ca 0.00 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1orp h LYS 50 Cb 0.73 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.44 1orp h LYS 50 CO 0.05 -0.05 0.34 0.28 -2.06 0.00 0.00 179.45 178.01 1orp h VAL 51 N -0.76 1.08 0.00 0.50 2.07 -1.31 -2.10 116.25 115.73 1orp h VAL 51 Ca -0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1orp h VAL 51 Cb 0.50 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1orp h VAL 51 CO 0.07 0.12 0.00 0.35 0.02 0.00 0.00 177.57 178.13 1orp n THR 52 N -4.76 0.73 -0.28 2.57 -2.24 -0.44 -1.58 114.28 108.29 1orp n THR 52 Ca 0.04 0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 1orp n THR 52 Cb 0.06 -0.94 0.11 0.00 -2.10 0.00 0.00 70.33 67.46 1orp n THR 52 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1orp h LYS 53 N 0.00 0.86 0.02 -0.78 1.57 -0.86 -0.52 116.57 116.86 1orp h LYS 53 Ca 0.00 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.39 1orp h LYS 53 Cb 0.44 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1orp h LYS 53 CO 0.00 0.57 -2.05 0.54 -0.57 0.00 0.00 179.45 177.94 1orp n ARG 54 N -4.66 0.67 -0.07 3.15 1.74 -1.07 -4.12 116.66 112.30 1orp n ARG 54 Ca 0.10 0.18 -0.10 0.00 -0.77 0.00 0.00 57.85 57.26 1orp n ARG 54 Cb 0.15 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1orp n ARG 54 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1orp h LEU 55 N 0.01 0.30 0.00 0.55 5.85 -1.13 0.07 115.31 120.96 1orp h LEU 55 Ca -0.42 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1orp h LEU 55 Cb 2.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1orp h LEU 55 CO 0.05 0.24 0.00 0.49 -0.34 0.00 0.00 178.44 178.88 1orp n PHE 56 N -4.90 0.00 -0.01 1.25 3.72 -0.22 -0.09 117.46 117.22 1orp n PHE 56 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1orp n PHE 56 Cb 0.04 -0.17 -0.14 0.00 -0.94 0.00 0.00 39.48 38.27 1orp n PHE 56 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1orp n GLU 57 N -1.17 0.72 0.06 -1.08 -0.58 -0.12 -4.30 120.64 114.16 1orp n GLU 57 Ca 0.11 0.27 -0.15 0.00 -0.42 0.00 0.00 57.16 56.97 1orp n GLU 57 Cb 0.11 -1.73 -0.14 0.00 -0.57 0.00 0.00 31.44 29.12 1orp n GLU 57 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1orp h LYS 58 N 0.05 0.19 -6.52 3.49 3.64 -0.26 -3.46 116.57 113.70 1orp h LYS 58 Ca -0.39 -0.32 -0.68 0.00 -1.27 0.00 0.00 60.65 57.99 1orp h LYS 58 Cb 2.03 0.12 -0.29 0.00 -0.41 0.00 0.00 32.23 33.68 1orp h LYS 58 CO 0.08 1.04 -0.88 0.71 -2.27 0.00 0.00 179.45 178.13 1orp s TYR 59 N -2.63 2.23 0.00 1.91 2.02 0.87 -5.01 117.35 116.75 1orp s TYR 59 Ca -0.07 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1orp s TYR 59 Cb 0.07 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 1orp s TYR 59 CO 0.85 0.00 0.00 0.54 -1.57 0.00 0.00 175.55 175.37 1orp n ARG 60 N 2.30 0.00 -4.02 -0.62 3.00 -1.26 -4.22 116.66 111.84 1orp n ARG 60 Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.59 1orp n ARG 60 Cb 0.52 -0.02 -0.09 0.00 0.00 0.00 0.00 32.46 32.87 1orp n ARG 60 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1orp s THR 61 N 0.00 0.14 0.41 0.55 -4.23 -1.26 -5.01 115.64 106.23 1orp s THR 61 Ca 0.00 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1orp s THR 61 Cb 0.00 -1.70 0.16 0.00 1.34 0.00 0.00 72.50 72.30 1orp s THR 61 CO 0.00 -0.61 1.93 1.55 -0.54 0.00 0.00 174.62 176.95 1orp h PRO 62 N 2.84 0.09 -0.04 3.99 0.13 -1.92 -1.91 132.00 135.19 1orp h PRO 62 Ca -0.34 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1orp h PRO 62 Cb 1.19 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1orp h PRO 62 CO 0.58 0.29 -0.03 0.45 -0.23 0.00 0.00 178.00 179.06 1orp h HIS 63 N 0.09 0.05 -0.39 1.56 3.86 -1.96 -2.18 115.15 116.17 1orp h HIS 63 Ca 0.02 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1orp h HIS 63 Cb 0.40 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1orp h HIS 63 CO 0.00 0.09 -0.06 -0.44 0.86 0.00 0.00 177.93 178.38 1orp h ASP 64 N 0.06 0.74 -0.44 2.45 3.32 -1.75 -1.98 116.42 118.81 1orp h ASP 64 Ca 0.01 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 1orp h ASP 64 Cb 0.09 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1orp h ASP 64 CO 0.00 0.91 0.05 1.88 -1.72 0.00 0.00 179.24 180.36 1orp h TYR 65 N 0.55 0.80 -0.00 4.55 0.05 -1.39 -2.85 116.97 118.68 1orp h TYR 65 Ca 0.10 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1orp h TYR 65 Cb 0.57 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1orp h TYR 65 CO 0.05 0.77 -0.05 0.44 -1.05 0.00 0.00 178.16 178.31 1orp n ILE 66 N -4.45 0.00 0.02 -2.88 -5.35 -1.05 -3.67 119.36 101.98 1orp n ILE 66 Ca 0.00 -0.04 -0.19 0.00 -0.27 0.00 0.00 62.75 62.26 1orp n ILE 66 Cb 0.26 -0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 37.78 1orp n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1orp h ALA 67 N 3.63 0.14 -2.56 -1.28 0.00 -1.10 -3.46 119.26 114.62 1orp h ALA 67 Ca 0.00 -0.63 -0.48 0.00 0.00 0.00 0.00 54.91 53.80 1orp h ALA 67 Cb 0.28 0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.20 1orp h ALA 67 CO 0.00 0.57 0.41 0.14 0.00 0.00 0.00 179.25 180.36 1orp s VAL 68 N -3.37 2.51 0.42 0.00 -7.23 -1.24 -5.04 120.40 106.45 1orp s VAL 68 Ca -0.11 0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 59.98 1orp s VAL 68 Cb 0.06 -3.16 -0.09 0.00 0.56 0.00 0.00 36.38 33.75 1orp s VAL 68 CO 0.88 -0.21 1.07 -2.84 -0.31 0.00 0.00 175.10 173.69 1orp s PRO 69 N -5.50 4.05 0.21 4.82 0.02 -1.26 -4.91 135.00 132.43 1orp s PRO 69 Ca 0.61 1.55 -0.11 0.00 0.02 0.00 0.00 61.00 63.06 1orp s PRO 69 Cb -0.11 -2.47 0.27 0.00 0.02 0.00 0.00 34.50 32.21 1orp s PRO 69 CO 0.50 -0.25 1.68 1.25 -0.33 0.00 0.00 177.00 179.85 1orp h LEU 70 N 2.32 -0.16 -1.36 -5.54 5.85 -1.96 0.50 115.31 114.96 1orp h LEU 70 Ca -0.49 0.13 0.17 0.00 0.84 0.00 0.00 57.88 58.53 1orp h LEU 70 Cb 1.22 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 1orp h LEU 70 CO 0.62 -0.06 0.58 -0.08 -0.34 0.00 0.00 178.44 179.15 1orp h GLU 71 N 0.16 0.56 -0.13 1.25 4.57 -2.00 -1.23 114.58 117.78 1orp h GLU 71 Ca 0.30 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1orp h GLU 71 Cb 0.47 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1orp h GLU 71 CO -0.46 0.37 -0.02 1.49 -1.18 0.00 0.00 179.01 179.21 1orp h GLU 72 N 0.58 0.24 -0.16 1.92 4.81 -1.28 -2.51 114.58 118.18 1orp h GLU 72 Ca 0.46 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1orp h GLU 72 Cb 0.89 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1orp h GLU 72 CO -0.20 0.52 0.05 1.25 -0.73 0.00 0.00 179.01 179.90 1orp h LEU 73 N -0.07 0.06 -0.77 1.64 5.85 -0.87 -1.55 115.31 119.60 1orp h LEU 73 Ca 0.03 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.93 1orp h LEU 73 Cb 0.43 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.36 1orp h LEU 73 CO 0.01 0.06 0.25 -0.33 -0.34 0.00 0.00 178.44 178.09 1orp h GLU 74 N 0.13 0.34 -0.56 1.25 5.08 -1.23 0.12 114.58 119.71 1orp h GLU 74 Ca 0.07 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1orp h GLU 74 Cb 0.04 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1orp h GLU 74 CO -0.07 0.23 0.17 1.96 -1.00 0.00 0.00 179.01 180.29 1orp h GLN 75 N 0.35 0.84 0.00 2.33 4.20 -0.92 -1.09 115.11 120.81 1orp h GLN 75 Ca 0.44 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 1orp h GLN 75 Cb 0.73 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1orp h GLN 75 CO -0.47 0.73 -0.11 -0.44 -0.67 0.00 0.00 178.83 177.86 1orp h ASP 76 N 0.82 0.00 -0.16 1.46 3.45 0.20 -2.93 116.42 119.27 1orp h ASP 76 Ca 0.18 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.49 1orp h ASP 76 Cb 0.25 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 38.83 1orp h ASP 76 CO -0.01 0.11 -0.72 2.30 -1.57 0.00 0.00 179.24 179.36 1orp n ILE 77 N -3.51 1.69 0.25 0.35 -5.35 -0.95 -4.86 119.36 106.98 1orp n ILE 77 Ca -0.01 -2.88 0.11 0.00 -0.27 0.00 0.00 62.75 59.69 1orp n ILE 77 Cb 0.26 0.00 0.67 0.00 -1.74 0.00 0.00 39.64 38.83 1orp n ILE 77 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1orp h ARG 78 N 1.32 0.00 0.00 6.28 2.43 -1.01 -2.58 114.38 120.81 1orp h ARG 78 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1orp h ARG 78 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1orp h ARG 78 CO 0.16 0.14 0.00 -1.13 -1.51 0.00 0.00 179.97 177.63 1orp n SER 79 N -3.83 0.29 -4.70 -3.80 3.41 -1.26 -4.73 113.62 98.99 1orp n SER 79 Ca -0.02 0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 1orp n SER 79 Cb 0.24 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.54 1orp n SER 79 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1orp s ILE 80 N -3.06 4.93 0.53 -1.33 -1.09 -0.97 -5.01 121.20 115.19 1orp s ILE 80 Ca 0.11 1.77 -0.22 0.00 -2.23 0.00 0.00 60.65 60.08 1orp s ILE 80 Cb 0.15 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 1orp s ILE 80 CO 0.50 0.16 1.36 -0.83 -1.23 0.00 0.00 174.94 174.89 1orp s GLY 81 N 0.97 2.89 -1.42 6.18 0.00 -1.26 -1.92 107.32 112.75 1orp s GLY 81 Ca 0.44 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.49 1orp s GLY 81 CO 0.21 1.86 0.00 1.04 0.00 0.00 0.00 173.10 176.21 1orp n LEU 82 N -0.90 -1.68 0.06 0.66 4.77 -1.26 -4.90 117.00 113.74 1orp n LEU 82 Ca 0.10 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1orp n LEU 82 Cb 0.45 -2.39 0.45 0.00 -2.33 0.00 0.00 43.42 39.60 1orp n LEU 82 CO 0.53 -0.24 1.11 0.10 -1.33 0.00 0.00 177.39 177.56 1orp h TYR 83 N 0.00 0.40 0.14 -1.77 -0.00 -1.66 -2.26 116.97 111.83 1orp h TYR 83 Ca -0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.35 1orp h TYR 83 Cb 1.26 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 37.86 1orp h TYR 83 CO 0.43 0.29 -0.07 0.00 -0.00 0.00 0.00 178.16 178.81 1orp h ARG 84 N 0.43 -0.18 -0.76 0.10 3.08 -1.90 0.18 114.38 115.31 1orp h ARG 84 Ca 0.11 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1orp h ARG 84 Cb 0.01 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1orp h ARG 84 CO -0.02 0.10 0.29 -0.91 -1.07 0.00 0.00 179.97 178.36 1orp h ASN 85 N -0.46 1.06 -0.21 7.04 2.35 -1.95 -2.41 115.58 121.00 1orp h ASN 85 Ca -0.02 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1orp h ASN 85 Cb 0.36 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1orp h ASN 85 CO 0.03 0.95 0.02 0.11 -1.65 0.00 0.00 177.43 176.89 1orp h LYS 86 N 1.11 0.35 -0.50 0.81 1.57 -1.31 -0.31 116.57 118.29 1orp h LYS 86 Ca 0.25 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1orp h LYS 86 Cb 0.23 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1orp h LYS 86 CO -0.02 0.51 0.25 0.00 -0.57 0.00 0.00 179.45 179.62 1orp h ALA 87 N 0.82 0.64 -0.42 3.86 0.00 -0.55 0.20 119.26 123.81 1orp h ALA 87 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1orp h ALA 87 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1orp h ALA 87 CO 0.01 -0.10 0.15 0.07 0.00 0.00 0.00 179.25 179.38 1orp h ARG 88 N 0.49 0.64 -0.85 0.00 -0.00 -1.32 -2.73 114.38 110.61 1orp h ARG 88 Ca 0.22 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.98 60.06 1orp h ARG 88 Cb 0.13 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.97 29.96 1orp h ARG 88 CO -0.16 0.61 0.50 -0.91 -0.00 0.00 0.00 179.97 180.02 1orp h ASN 89 N 0.54 1.03 -0.46 0.08 -0.26 -0.55 -2.45 115.58 113.50 1orp h ASN 89 Ca 0.14 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1orp h ASN 89 Cb 0.23 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1orp h ASN 89 CO -0.01 0.80 0.26 0.40 -1.06 0.00 0.00 177.43 177.82 1orp h ILE 90 N 1.18 1.16 -0.67 2.81 2.04 -0.78 0.95 117.51 124.21 1orp h ILE 90 Ca 0.30 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1orp h ILE 90 Cb -0.03 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1orp h ILE 90 CO -0.05 0.17 0.22 1.56 0.00 0.00 0.00 178.15 180.04 1orp h GLN 91 N 0.61 1.03 -0.23 2.37 4.20 -1.17 0.70 115.11 122.62 1orp h GLN 91 Ca 0.16 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1orp h GLN 91 Cb 0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1orp h GLN 91 CO -0.03 0.89 -0.35 0.87 -0.67 0.00 0.00 178.83 179.55 1orp h LYS 92 N 0.97 0.51 0.03 1.46 6.56 -1.28 -1.91 116.57 122.91 1orp h LYS 92 Ca 0.22 -0.23 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1orp h LYS 92 Cb 0.29 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1orp h LYS 92 CO -0.01 0.79 -0.02 1.25 -2.06 0.00 0.00 179.45 179.41 1orp h LEU 93 N 0.43 -0.04 -0.58 2.94 6.46 -0.38 -1.87 115.31 122.27 1orp h LEU 93 Ca 0.05 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1orp h LEU 93 Cb 0.81 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1orp h LEU 93 CO 0.07 0.21 0.36 0.00 -0.62 0.00 0.00 178.44 178.45 1orp h ALA 95 N 1.18 1.20 -0.07 0.00 0.00 -1.27 -1.85 119.26 118.44 1orp h ALA 95 Ca 0.21 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1orp h ALA 95 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1orp h ALA 95 CO -0.04 0.21 -0.58 1.98 0.00 0.00 0.00 179.25 180.82 1orp h MET 96 N 0.91 0.24 -0.70 0.00 -1.53 -0.78 0.09 114.93 113.15 1orp h MET 96 Ca 0.39 -0.16 -0.01 0.00 -3.44 0.00 0.00 59.70 56.48 1orp h MET 96 Cb 0.26 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.29 1orp h MET 96 CO -0.20 0.75 0.39 -0.07 0.14 0.00 0.00 176.91 177.92 1orp h LEU 97 N 0.18 0.88 0.32 3.39 3.38 -0.42 0.49 115.31 123.53 1orp h LEU 97 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1orp h LEU 97 Cb 1.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1orp h LEU 97 CO 0.09 0.72 -0.15 0.40 0.09 0.00 0.00 178.44 179.58 1orp h ILE 98 N 0.97 0.58 0.04 1.22 2.04 -1.16 0.28 117.51 121.48 1orp h ILE 98 Ca 0.25 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1orp h ILE 98 Cb 0.03 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1orp h ILE 98 CO -0.04 0.12 -0.02 0.44 0.00 0.00 0.00 178.15 178.65 1orp h ASP 99 N -0.89 -0.04 0.29 1.72 3.32 -0.89 -3.32 116.42 116.61 1orp h ASP 99 Ca -0.04 -0.19 -0.30 0.00 0.02 0.00 0.00 57.03 56.51 1orp h ASP 99 Cb 0.52 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1orp h ASP 99 CO 0.07 0.17 -1.97 0.29 -1.72 0.00 0.00 179.24 176.08 1orp n LYS 100 N -5.02 0.66 -1.25 3.56 4.01 0.17 -4.63 118.16 115.66 1orp n LYS 100 Ca -0.08 0.15 -0.10 0.00 -0.51 0.00 0.00 58.31 57.77 1orp n LYS 100 Cb 0.14 -1.67 0.12 0.00 -0.51 0.00 0.00 35.03 33.11 1orp n LYS 100 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1orp n TYR 101 N -2.88 1.46 -3.92 2.13 4.01 -0.36 -4.96 117.16 112.64 1orp n TYR 101 Ca -0.22 -1.89 -0.31 0.00 -0.16 0.00 0.00 57.90 55.32 1orp n TYR 101 Cb 1.06 -0.39 0.02 0.00 -0.31 0.00 0.00 39.34 39.72 1orp n TYR 101 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1orp n ASN 102 N -0.95 -4.62 -1.19 7.72 5.15 -1.09 -1.48 115.26 118.81 1orp n ASN 102 Ca 0.34 -0.79 -0.15 0.00 -0.60 0.00 0.00 54.58 53.38 1orp n ASN 102 Cb 0.86 -3.70 -0.07 0.00 -0.53 0.00 0.00 39.78 36.34 1orp n ASN 102 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1orp n GLY 103 N -1.63 1.52 3.35 8.20 0.00 0.86 -4.96 105.19 112.53 1orp n GLY 103 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1orp n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1orp s GLU 104 N -3.27 1.33 -0.21 1.61 8.01 -0.55 -4.85 118.70 120.77 1orp s GLU 104 Ca 0.00 -1.55 -0.29 0.00 0.01 0.00 0.00 54.97 53.14 1orp s GLU 104 Cb 0.00 -1.21 -0.01 0.00 -4.31 0.00 0.00 34.13 28.60 1orp s GLU 104 CO 0.00 0.21 1.30 0.08 0.01 0.00 0.00 175.26 176.87 1orp s VAL 105 N -2.69 4.19 0.58 2.63 1.01 -1.26 -4.75 120.40 120.10 1orp s VAL 105 Ca 0.21 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.39 1orp s VAL 105 Cb -0.02 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1orp s VAL 105 CO 0.07 -0.24 1.29 -2.16 0.00 0.00 0.00 175.10 174.06 1orp s PRO 106 N 3.78 2.98 0.00 2.72 0.04 -1.26 -4.91 135.00 138.35 1orp s PRO 106 Ca 0.57 2.06 0.24 0.00 0.04 0.00 0.00 61.00 63.90 1orp s PRO 106 Cb -0.21 -2.07 0.67 0.00 0.04 0.00 0.00 34.50 32.93 1orp s PRO 106 CO 0.18 -1.26 1.52 0.54 0.04 0.00 0.00 177.00 178.02 1orp n ARG 107 N -1.37 1.97 -3.59 4.56 1.74 -1.26 -4.82 116.66 113.89 1orp n ARG 107 Ca 0.13 -1.45 -0.36 0.00 -0.77 0.00 0.00 57.85 55.40 1orp n ARG 107 Cb 0.47 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 30.39 1orp n ARG 107 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1orp s ASP 108 N -1.74 6.43 0.09 0.55 2.15 -1.26 -4.91 116.67 117.98 1orp s ASP 108 Ca 0.34 0.50 -0.25 0.00 0.43 0.00 0.00 52.55 53.57 1orp s ASP 108 Cb 0.20 -2.17 -0.13 0.00 -0.30 0.00 0.00 42.92 40.52 1orp s ASP 108 CO 0.30 0.15 1.69 -0.09 -0.17 0.00 0.00 175.17 177.06 1orp h ARG 109 N 6.38 -0.26 -0.12 4.34 1.12 -1.90 -0.65 114.38 123.30 1orp h ARG 109 Ca -0.43 0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.38 1orp h ARG 109 Cb 1.17 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.18 1orp h ARG 109 CO 0.73 -0.17 -0.29 -0.44 -3.11 0.00 0.00 179.97 176.69 1orp h ASP 110 N -0.27 0.22 -0.01 -3.80 3.32 -1.97 -2.05 116.42 111.86 1orp h ASP 110 Ca -0.00 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1orp h ASP 110 Cb 0.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1orp h ASP 110 CO -0.02 0.52 -0.40 -0.08 -1.72 0.00 0.00 179.24 177.54 1orp h GLU 111 N 0.20 0.52 -0.50 3.56 4.57 -1.93 -2.84 114.58 118.16 1orp h GLU 111 Ca 0.03 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 57.84 1orp h GLU 111 Cb 0.62 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1orp h GLU 111 CO 0.05 0.83 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.51 1orp h LEU 112 N 0.44 0.95 -1.77 1.64 3.38 -0.67 -2.82 115.31 116.45 1orp h LEU 112 Ca 0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1orp h LEU 112 Cb 0.88 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1orp h LEU 112 CO 0.08 1.08 0.00 0.24 0.09 0.00 0.00 178.44 179.92 1orp h MET 113 N 0.84 0.00 0.00 1.13 2.86 -1.13 -0.97 114.93 117.66 1orp h MET 113 Ca 0.13 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1orp h MET 113 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1orp h MET 113 CO 0.05 0.00 -0.18 0.87 1.06 0.00 0.00 176.91 178.71 1orp h LYS 114 N 0.00 0.00 -6.76 1.72 1.57 -1.47 -3.44 116.57 108.18 1orp h LYS 114 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1orp h LYS 114 Cb 0.04 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.41 1orp h LYS 114 CO 0.00 0.18 0.76 -0.51 -0.57 0.00 0.00 179.45 179.31 1orp s LEU 115 N -6.36 4.38 0.31 2.94 1.43 -0.37 -4.93 118.68 116.08 1orp s LEU 115 Ca 0.05 2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 55.54 1orp s LEU 115 Cb 0.07 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.55 1orp s LEU 115 CO 0.67 -0.71 1.56 -2.65 0.23 0.00 0.00 176.35 175.45 1orp n PRO 116 N 2.22 2.65 -0.06 1.29 -0.02 -1.26 -1.72 135.00 138.11 1orp n PRO 116 Ca 0.06 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1orp n PRO 116 Cb 0.40 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1orp n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1orp n GLY 117 N 1.76 1.66 3.37 -1.23 0.00 -1.26 -4.65 105.19 104.84 1orp n GLY 117 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1orp n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1orp s VAL 118 N -2.65 4.25 0.16 1.61 1.01 -0.70 -4.92 120.40 119.16 1orp s VAL 118 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1orp s VAL 118 Cb 0.00 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1orp s VAL 118 CO 0.00 -0.03 0.17 0.61 0.00 0.00 0.00 175.10 175.85 1orp n GLY 119 N 4.92 2.44 0.29 4.51 0.00 -1.26 -4.49 105.19 111.60 1orp n GLY 119 Ca -0.13 -2.18 -0.02 0.00 0.00 0.00 0.00 46.02 43.69 1orp n GLY 119 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1orp h ARG 120 N 0.00 0.86 0.09 1.61 2.43 -1.96 -1.59 114.38 115.82 1orp h ARG 120 Ca -0.09 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1orp h ARG 120 Cb 0.36 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1orp h ARG 120 CO 0.13 0.57 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.82 1orp h LYS 121 N 0.89 -0.24 0.05 0.20 3.11 -1.96 0.98 116.57 119.60 1orp h LYS 121 Ca 0.32 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 1orp h LYS 121 Cb 0.09 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1orp h LYS 121 CO -0.14 -0.16 -0.06 1.15 -2.81 0.00 0.00 179.45 177.43 1orp h THR 122 N -0.25 0.85 -0.94 1.00 2.02 -1.87 -1.49 112.91 112.23 1orp h THR 122 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 1orp h THR 122 Cb 0.26 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1orp h THR 122 CO -0.06 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.43 1orp h ALA 123 N 0.81 1.30 -0.64 6.16 0.00 -1.13 -1.44 119.26 124.32 1orp h ALA 123 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1orp h ALA 123 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1orp h ALA 123 CO -0.03 0.37 0.26 -0.91 0.00 0.00 0.00 179.25 178.93 1orp h ASN 124 N 1.08 0.88 0.10 0.00 2.35 -0.29 -1.47 115.58 118.22 1orp h ASN 124 Ca 0.41 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1orp h ASN 124 Cb 0.17 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1orp h ASN 124 CO -0.17 0.81 -0.05 0.58 -1.65 0.00 0.00 177.43 176.95 1orp h VAL 125 N 0.89 0.95 -0.16 2.81 2.07 -0.75 -2.47 116.25 119.60 1orp h VAL 125 Ca 0.21 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1orp h VAL 125 Cb 0.20 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1orp h VAL 125 CO -0.02 0.04 -0.05 0.58 0.02 0.00 0.00 177.57 178.14 1orp h VAL 126 N -0.20 0.81 -0.20 2.57 2.07 -1.04 0.39 116.25 120.64 1orp h VAL 126 Ca -0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1orp h VAL 126 Cb 0.17 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1orp h VAL 126 CO 0.02 0.00 -0.29 -0.37 0.02 0.00 0.00 177.57 176.95 1orp h VAL 127 N -0.02 1.27 0.53 2.57 -1.51 -1.30 -0.58 116.25 117.21 1orp h VAL 127 Ca 0.08 -1.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.22 1orp h VAL 127 Cb 0.14 1.43 0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1orp h VAL 127 CO -0.18 0.41 -0.25 -1.28 -1.23 0.00 0.00 177.57 175.04 1orp h SER 128 N 0.35 -0.60 -0.29 4.19 0.87 -1.13 0.52 113.55 117.46 1orp h SER 128 Ca 0.05 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1orp h SER 128 Cb 0.69 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1orp h SER 128 CO 0.05 -0.19 -0.20 0.58 -0.53 0.00 0.00 176.83 176.54 1orp h VAL 129 N -1.18 1.30 0.18 2.23 2.07 -0.98 -2.17 116.25 117.70 1orp h VAL 129 Ca -0.07 -1.34 -0.32 0.00 0.82 0.00 0.00 66.70 65.79 1orp h VAL 129 Cb 0.55 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1orp h VAL 129 CO 0.12 0.43 -1.51 0.00 0.02 0.00 0.00 177.57 176.63 1orp h ALA 130 N 0.72 0.07 -0.02 1.67 0.00 -1.25 -3.39 119.26 117.06 1orp h ALA 130 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1orp h ALA 130 Cb 0.75 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1orp h ALA 130 CO 0.06 0.94 0.00 1.19 0.00 0.00 0.00 179.25 181.43 1orp n PHE 131 N -3.58 0.08 -1.35 0.00 3.72 -0.82 -4.94 117.46 110.57 1orp n PHE 131 Ca -0.17 -0.97 -0.13 0.00 -0.05 0.00 0.00 57.45 56.13 1orp n PHE 131 Cb 1.07 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 39.39 1orp n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1orp n GLY 132 N -1.33 1.26 3.68 1.37 0.00 -0.82 -4.91 105.19 104.45 1orp n GLY 132 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1orp n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1orp s VAL 133 N -2.09 4.59 0.13 1.61 1.01 0.11 -4.92 120.40 120.85 1orp s VAL 133 Ca 0.00 1.89 -0.31 0.00 0.00 0.00 0.00 61.98 63.56 1orp s VAL 133 Cb 0.00 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 1orp s VAL 133 CO 0.00 -0.04 1.75 -2.16 0.00 0.00 0.00 175.10 174.64 1orp s PRO 134 N 2.39 4.15 0.00 2.72 0.04 -1.26 -3.17 135.00 139.88 1orp s PRO 134 Ca 0.50 2.52 -0.28 0.00 0.04 0.00 0.00 61.00 63.78 1orp s PRO 134 Cb -0.20 -3.45 0.09 0.00 0.04 0.00 0.00 34.50 30.99 1orp s PRO 134 CO 0.16 -0.78 0.77 0.00 0.04 0.00 0.00 177.00 177.19 1orp s ALA 135 N 2.25 -1.76 -0.33 8.56 0.00 -1.26 -4.96 121.76 124.25 1orp s ALA 135 Ca 0.77 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.81 1orp s ALA 135 Cb -0.45 0.25 0.10 0.00 0.00 0.00 0.00 23.12 23.01 1orp s ALA 135 CO 0.34 -0.56 0.05 0.42 0.00 0.00 0.00 175.76 176.01 1orp s ILE 136 N -2.44 2.09 0.02 0.00 1.01 -1.26 -3.60 121.20 117.02 1orp s ILE 136 Ca -0.02 -2.18 -0.30 0.00 0.00 0.00 0.00 60.65 58.15 1orp s ILE 136 Cb -0.01 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1orp s ILE 136 CO -0.03 -0.57 1.17 0.00 0.00 0.00 0.00 174.94 175.50 1orp s ALA 137 N 1.01 3.38 -0.36 9.38 0.00 -1.26 -4.90 121.76 129.00 1orp s ALA 137 Ca 0.10 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 1orp s ALA 137 Cb -0.19 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.52 1orp s ALA 137 CO -0.10 -0.49 0.17 0.08 0.00 0.00 0.00 175.76 175.42 1orp s VAL 138 N 1.35 4.21 0.00 0.00 1.01 -1.26 -4.88 120.40 120.83 1orp s VAL 138 Ca 0.57 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1orp s VAL 138 Cb -0.27 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1orp s VAL 138 CO 0.27 -0.24 0.00 -0.90 0.00 0.00 0.00 175.10 174.23 1orp n ASP 139 N 4.91 1.35 -0.18 3.32 5.75 -1.26 -4.77 116.55 125.68 1orp n ASP 139 Ca -0.12 -0.62 -0.05 0.00 -0.01 0.00 0.00 54.79 54.00 1orp n ASP 139 Cb 0.45 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.59 1orp n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1orp h THR 140 N 0.42 1.00 0.41 2.12 1.03 -1.99 -1.64 112.91 114.25 1orp h THR 140 Ca 0.00 -0.20 -0.02 0.00 -0.01 0.00 0.00 66.41 66.18 1orp h THR 140 Cb 0.00 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 67.46 1orp h THR 140 CO 0.00 0.10 -0.19 0.45 -0.01 0.00 0.00 175.52 175.87 1orp h HIS 141 N 0.57 -0.51 -0.61 0.00 3.86 -1.94 -1.76 115.15 114.76 1orp h HIS 141 Ca 0.23 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.52 1orp h HIS 141 Cb 0.09 0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.65 1orp h HIS 141 CO -0.08 -0.20 0.22 0.28 0.86 0.00 0.00 177.93 179.01 1orp h VAL 142 N -0.79 0.76 -0.25 2.45 2.07 -1.81 -0.35 116.25 118.33 1orp h VAL 142 Ca -0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1orp h VAL 142 Cb 0.53 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1orp h VAL 142 CO 0.09 0.07 0.10 -0.08 0.02 0.00 0.00 177.57 177.77 1orp h GLU 143 N 0.40 0.37 -0.13 1.57 4.81 -1.29 -1.26 114.58 119.04 1orp h GLU 143 Ca 0.31 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1orp h GLU 143 Cb 0.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1orp h GLU 143 CO -0.31 0.42 0.06 -0.09 -0.73 0.00 0.00 179.01 178.35 1orp h ARG 144 N 0.25 0.13 -0.51 1.92 2.43 -0.76 -0.75 114.38 117.09 1orp h ARG 144 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1orp h ARG 144 Cb 0.18 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1orp h ARG 144 CO -0.01 0.09 0.27 0.28 -1.51 0.00 0.00 179.97 179.10 1orp h VAL 145 N 0.14 1.18 -0.67 0.20 2.07 -1.03 0.36 116.25 118.49 1orp h VAL 145 Ca 0.05 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1orp h VAL 145 Cb 0.01 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1orp h VAL 145 CO -0.04 0.20 0.39 0.28 0.02 0.00 0.00 177.57 178.42 1orp h SER 146 N 0.69 0.82 -0.06 0.57 0.02 -1.03 -1.27 113.55 113.29 1orp h SER 146 Ca 0.18 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 1orp h SER 146 Cb 0.07 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.41 1orp h SER 146 CO -0.03 0.65 -0.39 0.11 -1.14 0.00 0.00 176.83 176.03 1orp h LYS 147 N 0.91 0.36 -0.96 3.45 1.57 -0.78 0.70 116.57 121.83 1orp h LYS 147 Ca 0.24 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1orp h LYS 147 Cb -0.01 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1orp h LYS 147 CO -0.04 0.97 0.63 0.00 -0.57 0.00 0.00 179.45 180.44 1orp h ARG 148 N -0.14 1.22 0.00 3.15 3.08 -0.22 -1.68 114.38 119.80 1orp h ARG 148 Ca -0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1orp h ARG 148 Cb 1.06 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1orp h ARG 148 CO 0.08 0.81 0.00 -0.11 -1.07 0.00 0.00 179.97 179.68 1orp n LEU 149 N -4.44 0.19 -0.30 3.04 7.94 -0.49 -2.92 117.00 120.02 1orp n LEU 149 Ca 0.12 0.52 -0.00 0.00 -1.11 0.00 0.00 56.01 55.54 1orp n LEU 149 Cb 0.05 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.54 1orp n LEU 149 CO 0.36 -0.08 -0.00 0.61 -1.11 0.00 0.00 177.39 177.16 1orp n GLY 150 N 1.26 0.64 0.14 -3.96 0.00 -0.63 -4.61 105.19 98.03 1orp n GLY 150 Ca 0.06 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 1orp n GLY 150 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1orp h PHE 151 N -0.03 0.33 -3.57 1.61 -1.00 0.17 -0.62 116.94 113.83 1orp h PHE 151 Ca -0.01 -0.16 -0.22 0.00 2.81 0.00 0.00 57.97 60.39 1orp h PHE 151 Cb 1.01 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.47 1orp h PHE 151 CO 0.01 0.93 -0.12 0.00 -1.61 0.00 0.00 178.31 177.53 1orp s ARG 153 N -2.62 3.85 0.57 0.00 1.81 -1.26 -4.67 118.95 116.63 1orp s ARG 153 Ca 0.23 0.72 0.34 0.00 -1.72 0.00 0.00 55.73 55.29 1orp s ARG 153 Cb -0.01 -2.25 1.72 0.00 -0.45 0.00 0.00 34.95 33.96 1orp s ARG 153 CO 0.16 -0.19 2.14 -1.49 -0.68 0.00 0.00 175.30 175.24 1orp h TRP 154 N 0.97 0.00 -0.00 -0.53 4.06 -1.97 -2.60 115.95 115.89 1orp h TRP 154 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1orp h TRP 154 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1orp h TRP 154 CO 0.62 0.05 -0.36 -0.25 -3.56 0.00 0.00 178.44 174.95 1orp n ASP 155 N -3.34 0.44 -4.76 -3.49 8.00 -1.26 -4.94 116.55 107.21 1orp n ASP 155 Ca -0.02 -0.17 -0.39 0.00 0.71 0.00 0.00 54.79 54.93 1orp n ASP 155 Cb 0.21 0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.40 1orp n ASP 155 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1orp s ASP 156 N -2.93 5.55 0.81 -2.24 1.01 -0.98 -5.02 116.67 112.87 1orp s ASP 156 Ca 0.14 2.75 -0.12 0.00 0.71 0.00 0.00 52.55 56.02 1orp s ASP 156 Cb 0.18 -2.64 0.08 0.00 1.01 0.00 0.00 42.92 41.55 1orp s ASP 156 CO 0.64 -1.38 1.16 -0.94 0.21 0.00 0.00 175.17 174.86 1orp s SER 157 N -0.89 4.50 0.35 0.27 1.04 -1.26 -4.86 113.70 112.86 1orp s SER 157 Ca 0.68 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.99 1orp s SER 157 Cb -0.40 -1.39 0.65 0.00 0.10 0.00 0.00 66.02 64.97 1orp s SER 157 CO 0.48 -1.92 1.97 -0.37 0.98 0.00 0.00 173.24 174.38 1orp h VAL 158 N -1.06 1.17 -0.42 5.02 -1.51 -1.96 -1.59 116.25 115.90 1orp h VAL 158 Ca -0.46 -0.45 -0.04 0.00 -1.23 0.00 0.00 66.70 64.52 1orp h VAL 158 Cb 1.32 0.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 1orp h VAL 158 CO 0.65 0.19 0.11 0.25 -1.23 0.00 0.00 177.57 177.54 1orp h LEU 159 N 0.71 0.63 -1.01 4.19 6.46 -1.97 -1.36 115.31 122.96 1orp h LEU 159 Ca 0.18 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1orp h LEU 159 Cb 0.06 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.77 1orp h LEU 159 CO -0.03 0.69 0.65 -0.33 -0.62 0.00 0.00 178.44 178.80 1orp h GLU 160 N 0.54 1.32 -0.43 1.25 5.08 -1.78 0.57 114.58 121.14 1orp h GLU 160 Ca 0.13 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1orp h GLU 160 Cb 0.30 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1orp h GLU 160 CO -0.00 0.88 0.12 0.28 -1.00 0.00 0.00 179.01 179.29 1orp h VAL 161 N 1.35 1.22 -0.68 3.13 2.07 -1.03 -1.02 116.25 121.30 1orp h VAL 161 Ca 0.36 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1orp h VAL 161 Cb -0.14 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1orp h VAL 161 CO -0.08 0.27 0.30 -0.08 0.02 0.00 0.00 177.57 178.00 1orp h GLU 162 N 0.55 0.99 -0.14 1.57 4.81 -0.64 -2.09 114.58 119.64 1orp h GLU 162 Ca 0.14 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1orp h GLU 162 Cb 0.28 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1orp h GLU 162 CO -0.00 0.80 -0.34 0.87 -0.73 0.00 0.00 179.01 179.61 1orp h LYS 163 N 0.95 0.27 -0.22 1.92 1.57 -0.69 -1.30 116.57 119.06 1orp h LYS 163 Ca 0.23 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1orp h LYS 163 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1orp h LYS 163 CO -0.02 0.58 0.02 1.15 -0.57 0.00 0.00 179.45 180.61 1orp h THR 164 N 0.24 1.24 -0.36 -0.16 2.02 -0.80 -1.86 112.91 113.22 1orp h THR 164 Ca 0.03 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 1orp h THR 164 Cb 0.72 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1orp h THR 164 CO 0.05 0.25 0.00 -0.07 0.37 0.00 0.00 175.52 176.13 1orp h LEU 165 N 0.17 0.62 -0.90 2.58 3.38 -1.24 -2.53 115.31 117.40 1orp h LEU 165 Ca 0.07 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1orp h LEU 165 Cb 0.35 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1orp h LEU 165 CO 0.01 0.77 0.58 0.24 0.09 0.00 0.00 178.44 180.13 1orp h MET 166 N 0.45 1.09 -0.44 1.13 2.86 -1.19 0.36 114.93 119.19 1orp h MET 166 Ca 0.10 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1orp h MET 166 Cb 0.45 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1orp h MET 166 CO 0.02 0.72 0.09 0.87 1.06 0.00 0.00 176.91 179.66 1orp h LYS 167 N 1.12 0.66 0.00 1.72 6.56 -1.17 -3.34 116.57 122.12 1orp h LYS 167 Ca 0.36 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 1orp h LYS 167 Cb 0.02 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1orp h LYS 167 CO -0.12 0.62 -0.08 0.82 -2.06 0.00 0.00 179.45 178.63 1orp h ILE 168 N 0.64 0.00 -3.38 1.86 2.04 -0.93 -3.47 117.51 114.27 1orp h ILE 168 Ca 0.14 -0.30 -0.53 0.00 1.00 0.00 0.00 64.86 65.18 1orp h ILE 168 Cb 0.27 0.00 0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1orp h ILE 168 CO 0.00 0.00 0.82 -0.63 0.00 0.00 0.00 178.15 178.34 1orp s ILE 169 N -1.27 2.36 0.07 -0.67 1.01 0.12 -4.95 121.20 117.87 1orp s ILE 169 Ca -0.02 0.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.63 1orp s ILE 169 Cb 0.00 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 1orp s ILE 169 CO 0.03 0.05 1.41 -2.84 0.00 0.00 0.00 174.94 173.59 1orp s PRO 170 N -0.51 4.30 0.22 2.79 0.02 -1.26 -4.69 135.00 135.88 1orp s PRO 170 Ca 0.61 2.05 0.13 0.00 0.02 0.00 0.00 61.00 63.81 1orp s PRO 170 Cb -0.45 -3.39 0.81 0.00 0.02 0.00 0.00 34.50 31.50 1orp s PRO 170 CO 0.46 -0.50 0.95 1.17 -0.33 0.00 0.00 177.00 178.75 1orp n LYS 171 N 4.55 -0.04 0.02 5.54 4.81 -1.26 0.21 118.16 132.00 1orp n LYS 171 Ca 0.12 0.83 0.07 0.00 -0.87 0.00 0.00 58.31 58.46 1orp n LYS 171 Cb 0.43 -1.49 0.31 0.00 0.02 0.00 0.00 35.03 34.29 1orp n LYS 171 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1orp n GLU 172 N -4.34 0.03 0.00 1.64 1.02 -1.26 -2.92 120.64 114.81 1orp n GLU 172 Ca 0.23 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1orp n GLU 172 Cb 0.78 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1orp n GLU 172 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1orp n GLU 173 N -1.62 0.66 0.02 3.49 1.02 0.58 -4.79 120.64 119.99 1orp n GLU 173 Ca 0.03 -0.87 -0.10 0.00 -0.02 0.00 0.00 57.16 56.20 1orp n GLU 173 Cb 0.16 -0.96 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 1orp n GLU 173 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1orp h TRP 174 N 0.00 -0.32 0.37 -0.32 6.55 -1.42 -1.44 115.95 119.37 1orp h TRP 174 Ca 0.00 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 1orp h TRP 174 Cb 0.26 0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.69 1orp h TRP 174 CO 0.00 -0.19 -0.34 0.77 -1.05 0.00 0.00 178.44 177.63 1orp h SER 175 N -0.17 -0.91 -0.33 -3.49 0.02 -1.82 -1.42 113.55 105.43 1orp h SER 175 Ca 0.07 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1orp h SER 175 Cb 0.28 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1orp h SER 175 CO -0.19 -0.49 0.06 -0.29 -1.14 0.00 0.00 176.83 174.79 1orp h ILE 176 N -0.73 1.20 -0.47 3.27 6.09 -1.89 -2.27 117.51 122.70 1orp h ILE 176 Ca -0.03 -0.76 -0.08 0.00 -1.37 0.00 0.00 64.86 62.62 1orp h ILE 176 Cb 0.65 0.82 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 1orp h ILE 176 CO -0.04 0.27 -0.03 0.74 -3.07 0.00 0.00 178.15 176.02 1orp h THR 177 N 0.62 1.25 -0.34 2.19 2.02 -1.12 -1.32 112.91 116.21 1orp h THR 177 Ca 0.14 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.27 1orp h THR 177 Cb 0.30 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1orp h THR 177 CO 0.00 0.37 0.21 -0.74 0.37 0.00 0.00 175.52 175.74 1orp h HIS 178 N 0.74 0.40 -0.52 3.16 -0.00 -0.69 -0.03 115.15 118.22 1orp h HIS 178 Ca 0.14 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.40 1orp h HIS 178 Cb 0.49 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 1orp h HIS 178 CO 0.03 0.24 -0.15 0.45 -0.00 0.00 0.00 177.93 178.50 1orp h HIS 179 N 0.43 1.15 -0.75 5.26 -0.00 -1.17 -1.34 115.15 118.73 1orp h HIS 179 Ca 0.13 -0.25 -0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1orp h HIS 179 Cb -0.02 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 27.08 1orp h HIS 179 CO -0.07 1.08 0.46 0.00 -0.00 0.00 0.00 177.93 179.41 1orp h ARG 180 N 0.89 1.01 -0.49 2.45 3.08 -0.99 0.14 114.38 120.48 1orp h ARG 180 Ca 0.13 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1orp h ARG 180 Cb 0.72 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1orp h ARG 180 CO 0.06 0.70 -0.07 0.52 -1.07 0.00 0.00 179.97 180.11 1orp h MET 181 N 1.02 0.87 0.38 0.04 2.86 -0.83 0.29 114.93 119.56 1orp h MET 181 Ca 0.27 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1orp h MET 181 Cb -0.06 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1orp h MET 181 CO -0.05 0.91 -0.18 0.82 1.06 0.00 0.00 176.91 179.46 1orp h ILE 182 N 0.79 0.64 -0.54 -1.22 1.08 -0.57 -0.54 117.51 117.15 1orp h ILE 182 Ca 0.14 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1orp h ILE 182 Cb 0.57 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.98 1orp h ILE 182 CO 0.03 0.03 0.27 -0.26 -0.69 0.00 0.00 178.15 177.53 1orp h PHE 183 N -0.58 0.49 -0.76 1.37 -1.00 -0.58 0.38 116.94 116.25 1orp h PHE 183 Ca -0.05 0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.83 1orp h PHE 183 Cb 0.43 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.79 1orp h PHE 183 CO -0.03 0.23 0.43 0.35 -1.61 0.00 0.00 178.31 177.68 1orp h PHE 184 N 0.51 0.79 0.00 -0.55 3.57 -0.21 0.15 116.94 121.20 1orp h PHE 184 Ca 0.24 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 1orp h PHE 184 Cb 0.16 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1orp h PHE 184 CO -0.11 0.35 -0.81 0.78 -2.23 0.00 0.00 178.31 176.29 1orp h GLY 185 N 0.76 0.00 1.37 2.40 0.00 -0.26 0.27 103.07 107.61 1orp h GLY 185 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.39 1orp h GLY 185 CO -0.22 0.00 -1.43 -0.09 0.00 0.00 0.00 176.54 174.80 1orp h ARG 186 N 0.00 0.30 -0.01 4.80 2.43 0.21 -3.08 114.38 119.03 1orp h ARG 186 Ca -0.03 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1orp h ARG 186 Cb 1.57 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 1orp h ARG 186 CO 0.09 1.20 -0.19 0.66 -1.51 0.00 0.00 179.97 180.22 1orp n TYR 187 N -3.52 0.00 0.00 2.20 4.01 0.48 -4.78 117.16 115.56 1orp n TYR 187 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1orp n TYR 187 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 1orp n TYR 187 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1orp n HIS 188 N 0.04 0.00 -1.04 -0.72 -0.00 -0.59 -4.89 115.22 108.02 1orp n HIS 188 Ca 0.06 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.01 1orp n HIS 188 Cb 0.28 0.17 -0.09 0.00 -0.12 0.00 0.00 29.99 30.22 1orp n HIS 188 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1orp n LYS 190 N 3.13 -1.34 -0.02 0.00 -0.00 -1.16 -4.65 118.16 114.11 1orp n LYS 190 Ca 0.55 -0.35 -0.12 0.00 -0.00 0.00 0.00 58.31 58.39 1orp n LYS 190 Cb 0.52 -2.06 -0.10 0.00 -0.00 0.00 0.00 35.03 33.39 1orp n LYS 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1orp h ALA 191 N -2.14 -0.05 0.47 0.58 0.00 -1.92 -3.32 119.26 112.88 1orp h ALA 191 Ca -0.52 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 1orp h ALA 191 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1orp h ALA 191 CO 0.42 -0.15 -0.23 1.96 0.00 0.00 0.00 179.25 181.26 1orp h GLN 192 N -0.82 -0.61 -3.14 0.00 7.50 -1.98 -3.42 115.11 112.64 1orp h GLN 192 Ca -0.01 0.04 -0.62 0.00 0.50 0.00 0.00 58.65 58.57 1orp h GLN 192 Cb 0.68 0.14 -0.40 0.00 0.05 0.00 0.00 27.48 27.95 1orp h GLN 192 CO 0.01 -0.41 -0.72 -1.54 -1.50 0.00 0.00 178.83 174.67 1orp s SER 193 N -4.52 3.82 0.38 1.46 1.04 -1.26 -5.12 113.70 109.50 1orp s SER 193 Ca -0.09 -2.61 -0.26 0.00 0.48 0.00 0.00 55.95 53.46 1orp s SER 193 Cb 0.01 -1.14 -0.09 0.00 0.10 0.00 0.00 66.02 64.90 1orp s SER 193 CO 0.28 -0.27 1.20 -2.16 0.98 0.00 0.00 173.24 173.26 1orp s PRO 194 N 0.35 4.16 -0.55 4.02 0.04 -1.25 -4.50 135.00 137.27 1orp s PRO 194 Ca 0.17 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 1orp s PRO 194 Cb -0.24 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.41 1orp s PRO 194 CO -0.01 -0.26 3.07 1.04 0.04 0.00 0.00 177.00 180.87 1orp n GLN 195 N 0.33 2.72 0.13 4.56 6.02 -0.90 -4.71 117.38 125.52 1orp n GLN 195 Ca 0.03 -1.98 -0.13 0.00 -0.01 0.00 0.00 57.00 54.91 1orp n GLN 195 Cb 0.45 -2.24 -0.06 0.00 1.02 0.00 0.00 30.24 29.41 1orp n GLN 195 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1orp n PRO 197 N -5.38 -0.05 -1.53 0.00 -0.02 -1.26 0.49 135.00 127.25 1orp n PRO 197 Ca -0.07 1.09 -0.22 0.00 -2.02 0.00 0.00 63.50 62.28 1orp n PRO 197 Cb 0.29 -1.87 0.08 0.00 -0.02 0.00 0.00 33.50 31.98 1orp n PRO 197 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1orp n SER 198 N -4.86 5.03 -4.74 2.55 3.41 -1.14 -5.02 113.62 108.85 1orp n SER 198 Ca 0.25 -3.77 -0.35 0.00 -0.26 0.00 0.00 58.87 54.73 1orp n SER 198 Cb 0.84 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1orp n SER 198 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1orp n PRO 200 N 2.97 0.75 0.00 0.00 -0.02 -1.26 -3.02 135.00 134.43 1orp n PRO 200 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1orp n PRO 200 Cb 0.53 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1orp n PRO 200 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1orp n LEU 201 N -0.42 0.00 -0.17 2.45 4.77 -1.26 -4.73 117.00 117.64 1orp n LEU 201 Ca 0.00 -0.36 0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1orp n LEU 201 Cb 0.02 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.71 1orp n LEU 201 CO 0.00 0.00 1.22 -0.07 -1.33 0.00 0.00 177.39 177.21 1orp h LEU 202 N 0.00 0.22 0.00 2.23 -0.00 -1.85 0.34 115.31 116.25 1orp h LEU 202 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1orp h LEU 202 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1orp h LEU 202 CO 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 178.44 178.54 1orp n HIS 203 N -4.42 0.00 -1.39 1.13 1.44 -1.26 -2.23 115.22 108.50 1orp n HIS 203 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 1orp n HIS 203 Cb 0.72 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 30.43 1orp n HIS 203 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1orp n LEU 204 N -1.40 0.00 -4.61 2.39 -0.00 -0.07 -5.08 117.00 108.23 1orp n LEU 204 Ca 0.03 -0.33 -0.36 0.00 -0.00 0.00 0.00 56.01 55.34 1orp n LEU 204 Cb 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.39 1orp n LEU 204 CO 0.06 0.15 -0.21 0.00 -0.00 0.00 0.00 177.39 177.40 1orp h ARG 206 N 7.62 0.59 -0.22 0.00 -0.00 -1.82 -2.00 114.38 118.55 1orp h ARG 206 Ca -0.37 -0.29 -0.12 0.00 -0.00 0.00 0.00 59.98 59.20 1orp h ARG 206 Cb 1.17 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.13 1orp h ARG 206 CO 0.63 0.87 -0.39 1.49 -0.00 0.00 0.00 179.97 182.58 1orp h GLU 207 N 0.32 0.51 -0.32 0.08 4.57 -1.89 -2.61 114.58 115.25 1orp h GLU 207 Ca 0.05 -0.25 -0.14 0.00 -1.18 0.00 0.00 59.36 57.84 1orp h GLU 207 Cb 0.73 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1orp h GLU 207 CO 0.05 0.82 -0.37 0.78 -1.18 0.00 0.00 179.01 179.11 1orp h GLY 208 N 1.08 0.80 1.45 1.92 0.00 -1.81 -0.24 103.07 106.27 1orp h GLY 208 Ca 0.04 -0.79 -0.19 0.00 0.00 0.00 0.00 47.33 46.39 1orp h GLY 208 CO 0.07 0.71 -0.70 0.50 0.00 0.00 0.00 176.54 177.13 1orp h LYS 209 N 0.61 0.54 -0.05 4.80 1.57 -1.32 -2.04 116.57 120.68 1orp h LYS 209 Ca 0.06 -0.42 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 1orp h LYS 209 Cb 0.91 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1orp h LYS 209 CO 0.08 1.04 -0.49 0.87 -0.57 0.00 0.00 179.45 180.38 1orp h LYS 210 N 0.38 0.12 -0.37 3.15 1.57 -1.42 -0.50 116.57 119.50 1orp h LYS 210 Ca -0.03 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1orp h LYS 210 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1orp h LYS 210 CO 0.13 0.59 -0.08 0.07 -0.57 0.00 0.00 179.45 179.59 1orp h ARG 211 N 0.10 0.71 0.54 3.15 0.11 -0.83 -3.28 114.38 114.89 1orp h ARG 211 Ca 0.00 -0.27 -0.03 0.00 0.10 0.00 0.00 59.98 59.79 1orp h ARG 211 Cb 0.90 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.95 1orp h ARG 211 CO 0.07 0.86 -0.26 0.52 0.10 0.00 0.00 179.97 181.26 1orp h MET 212 N 0.52 -0.70 0.00 0.08 2.07 -1.22 -3.51 114.93 112.17 1orp h MET 212 Ca 0.10 0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 1orp h MET 212 Cb 0.59 0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.48 1orp h MET 212 CO 0.04 -0.45 0.00 0.54 1.07 0.00 0.00 176.91 178.10