#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1til n ARG 2 N 0.00 1.02 -2.87 0.03 3.00 -1.26 -4.33 116.66 112.25 1til n ARG 2 Ca 0.00 -2.35 -0.37 0.00 -0.00 0.00 0.00 57.85 55.13 1til n ARG 2 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 32.46 31.22 1til n ARG 2 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1til s ASN 3 N -1.62 7.27 -0.04 6.15 2.47 -1.21 -4.96 114.94 123.00 1til s ASN 3 Ca 0.27 1.72 -0.13 0.00 0.42 0.00 0.00 52.86 55.14 1til s ASN 3 Cb 0.32 -2.53 0.02 0.00 -1.45 0.00 0.00 41.25 37.60 1til s ASN 3 CO -0.06 -0.03 0.28 -1.83 -3.72 0.00 0.00 177.10 171.75 1til s GLU 4 N -1.98 0.56 0.06 0.43 -1.05 -1.26 -1.86 118.70 113.59 1til s GLU 4 Ca 0.47 -0.05 0.01 0.00 -0.15 0.00 0.00 54.97 55.25 1til s GLU 4 Cb -0.18 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.72 1til s GLU 4 CO 0.23 -0.14 -0.06 1.41 0.95 0.00 0.00 175.26 177.66 1til s MET 5 N -0.93 0.62 -0.05 -4.83 -2.45 -0.14 -5.02 119.30 106.49 1til s MET 5 Ca -0.10 -1.01 -0.01 0.00 -1.25 0.00 0.00 55.69 53.32 1til s MET 5 Cb -0.05 -0.13 0.03 0.00 1.25 0.00 0.00 34.83 35.93 1til s MET 5 CO 0.03 -0.01 0.02 -1.01 1.05 0.00 0.00 175.02 175.09 1til s HIS 6 N -2.57 0.42 -0.04 4.11 3.76 -1.26 -1.56 115.29 118.15 1til s HIS 6 Ca -0.00 -0.01 0.05 0.00 -0.15 0.00 0.00 55.06 54.95 1til s HIS 6 Cb -0.02 -0.62 -0.01 0.00 1.11 0.00 0.00 32.58 33.04 1til s HIS 6 CO -0.03 -0.24 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.24 1til s LEU 7 N 1.80 1.99 -0.02 0.89 2.96 -0.54 -4.99 118.68 120.77 1til s LEU 7 Ca 0.01 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1til s LEU 7 Cb -0.13 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 1til s LEU 7 CO -0.04 0.20 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.98 1til s GLN 8 N -0.11 1.02 0.10 1.98 1.11 -1.26 0.68 119.66 123.17 1til s GLN 8 Ca -0.02 -0.41 -0.20 0.00 0.01 0.00 0.00 55.36 54.74 1til s GLN 8 Cb -0.12 -0.97 0.05 0.00 -1.01 0.00 0.00 33.01 30.96 1til s GLN 8 CO 0.02 0.22 0.49 -0.59 0.01 0.00 0.00 175.29 175.45 1til s PHE 9 N -0.15 -0.37 0.39 0.91 -0.12 -0.62 -4.98 117.98 113.05 1til s PHE 9 Ca 0.02 0.23 -0.26 0.00 -0.05 0.00 0.00 56.93 56.87 1til s PHE 9 Cb -0.06 0.36 -0.11 0.00 -0.63 0.00 0.00 43.02 42.58 1til s PHE 9 CO -0.00 -0.71 1.24 0.43 -0.05 0.00 0.00 175.22 176.13 1til n SER 10 N 0.02 2.43 -4.38 1.98 7.64 -1.26 -1.35 113.62 118.70 1til n SER 10 Ca -0.17 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.43 1til n SER 10 Cb 0.62 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 62.34 1til n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1til n ALA 11 N -0.05 3.74 -3.16 -0.43 0.00 -0.35 -4.77 120.51 115.49 1til n ALA 11 Ca 0.06 -3.74 -0.22 0.00 0.00 0.00 0.00 53.44 49.54 1til n ALA 11 Cb 0.38 -3.58 -0.16 0.00 0.00 0.00 0.00 19.45 16.09 1til n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1til s ARG 12 N 4.30 1.20 0.41 0.00 0.52 -1.26 -3.76 118.95 120.36 1til s ARG 12 Ca 0.54 -0.35 0.25 0.00 -0.52 0.00 0.00 55.73 55.66 1til s ARG 12 Cb 0.06 -1.08 1.32 0.00 0.52 0.00 0.00 34.95 35.76 1til s ARG 12 CO 0.05 0.09 1.64 0.66 0.02 0.00 0.00 175.30 177.77 1til h SER 13 N 6.56 0.33 -0.01 0.23 4.64 -1.97 0.14 113.55 123.47 1til h SER 13 Ca -0.33 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1til h SER 13 Cb 1.17 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1til h SER 13 CO 0.48 -0.17 0.00 -0.33 -0.87 0.00 0.00 176.83 175.95 1til h GLU 14 N 0.16 0.00 0.00 4.77 3.07 -1.96 -1.45 114.58 119.16 1til h GLU 14 Ca 0.78 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.64 1til h GLU 14 Cb 2.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.15 1til h GLU 14 CO -0.47 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.23 1til n ASN 15 N -4.50 0.00 0.00 1.42 3.02 0.47 -2.49 115.26 113.19 1til n ASN 15 Ca -0.03 0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 1til n ASN 15 Cb 0.09 -0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 1til n ASN 15 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1til h GLU 16 N 0.00 -0.04 -0.36 3.52 5.08 -1.40 0.16 114.58 121.54 1til h GLU 16 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1til h GLU 16 Cb 0.17 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1til h GLU 16 CO 0.00 0.42 0.11 1.03 -1.00 0.00 0.00 179.01 179.56 1til h SER 17 N -0.50 0.09 -0.03 1.42 0.87 -1.65 -1.78 113.55 111.97 1til h SER 17 Ca -0.00 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1til h SER 17 Cb 0.47 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 1til h SER 17 CO 0.01 0.09 -0.48 0.15 -0.53 0.00 0.00 176.83 176.06 1til h PHE 18 N 0.25 -1.39 -0.85 2.24 3.57 -1.35 -0.52 116.94 118.88 1til h PHE 18 Ca 0.17 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.83 1til h PHE 18 Cb 0.16 0.61 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1til h PHE 18 CO -0.16 -0.53 0.55 0.00 -2.23 0.00 0.00 178.31 175.94 1til h ALA 19 N -0.20 1.77 -0.12 2.41 0.00 -0.31 0.35 119.26 123.17 1til h ALA 19 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1til h ALA 19 Cb 0.69 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1til h ALA 19 CO -0.36 0.03 0.03 0.00 0.00 0.00 0.00 179.25 178.96 1til h ARG 20 N 0.74 0.18 -0.11 0.00 3.08 -0.45 -0.14 114.38 117.67 1til h ARG 20 Ca 0.41 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.45 1til h ARG 20 Cb 0.56 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1til h ARG 20 CO -0.17 0.33 -0.11 0.28 -1.07 0.00 0.00 179.97 179.22 1til h VAL 21 N -0.00 0.68 0.86 2.04 2.07 -0.04 -1.10 116.25 120.76 1til h VAL 21 Ca 0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1til h VAL 21 Cb 0.22 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1til h VAL 21 CO -0.00 0.00 -0.41 0.74 0.02 0.00 0.00 177.57 177.91 1til h THR 22 N -0.14 0.13 -0.70 2.57 2.02 -0.85 -1.77 112.91 114.17 1til h THR 22 Ca 0.08 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.30 1til h THR 22 Cb 0.26 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1til h THR 22 CO -0.20 0.00 0.46 0.58 0.37 0.00 0.00 175.52 176.74 1til h VAL 23 N -1.19 0.98 0.60 3.16 2.07 -1.01 -2.16 116.25 118.69 1til h VAL 23 Ca -0.12 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1til h VAL 23 Cb 0.89 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1til h VAL 23 CO 0.19 0.12 -0.29 0.00 0.02 0.00 0.00 177.57 177.62 1til h ALA 24 N 1.63 -0.80 -0.55 1.67 0.00 -1.03 -0.99 119.26 119.19 1til h ALA 24 Ca 0.31 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1til h ALA 24 Cb 0.35 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1til h ALA 24 CO -0.10 -0.89 0.38 0.00 0.00 0.00 0.00 179.25 178.63 1til h ALA 25 N -0.57 2.31 -0.04 0.00 0.00 -1.02 0.24 119.26 120.18 1til h ALA 25 Ca -0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1til h ALA 25 Cb 0.65 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1til h ALA 25 CO 0.13 -0.46 -0.74 0.35 0.00 0.00 0.00 179.25 178.53 1til h PHE 26 N 0.15 0.82 0.00 0.00 3.57 -1.11 -3.17 116.94 117.20 1til h PHE 26 Ca 0.26 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1til h PHE 26 Cb 0.83 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1til h PHE 26 CO -0.00 1.24 0.00 -0.24 -2.23 0.00 0.00 178.31 177.08 1til h VAL 27 N 0.17 0.00 -1.06 1.41 3.04 -0.34 -3.26 116.25 116.21 1til h VAL 27 Ca -0.08 -0.65 0.29 0.00 -1.01 0.00 0.00 66.70 65.24 1til h VAL 27 Cb 1.42 1.62 -0.07 0.00 -2.01 0.00 0.00 31.29 32.25 1til h VAL 27 CO 0.15 0.00 0.72 0.00 -1.01 0.00 0.00 177.57 177.43 1til h ALA 28 N 2.10 2.60 0.00 3.17 0.00 -0.52 0.11 119.26 126.73 1til h ALA 28 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1til h ALA 28 Cb 0.71 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1til h ALA 28 CO 0.00 -0.96 0.03 1.04 0.00 0.00 0.00 179.25 179.36 1til n GLN 29 N -4.43 0.04 -0.12 0.00 6.02 -1.23 -1.53 117.38 116.13 1til n GLN 29 Ca 0.24 0.51 0.12 0.00 -0.01 0.00 0.00 57.00 57.86 1til n GLN 29 Cb 1.00 -1.65 0.20 0.00 1.02 0.00 0.00 30.24 30.81 1til n GLN 29 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1til n LEU 30 N -1.67 3.15 -3.66 1.08 4.77 0.03 -5.00 117.00 115.70 1til n LEU 30 Ca -0.00 -1.26 -0.27 0.00 -0.03 0.00 0.00 56.01 54.45 1til n LEU 30 Cb 0.04 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1til n LEU 30 CO 0.02 0.63 -0.06 0.47 -1.33 0.00 0.00 177.39 177.12 1til n ASP 31 N 1.34 -5.48 -4.93 -1.43 8.00 -0.58 -4.96 116.55 108.52 1til n ASP 31 Ca 0.17 -0.90 -0.26 0.00 0.71 0.00 0.00 54.79 54.52 1til n ASP 31 Cb 0.58 -3.11 0.04 0.00 -0.02 0.00 0.00 41.12 38.61 1til n ASP 31 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1til s PRO 32 N -5.47 2.71 1.18 -0.24 0.04 -1.26 -4.86 135.00 127.10 1til s PRO 32 Ca 0.31 -0.17 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 1til s PRO 32 Cb -0.12 -2.28 0.29 0.00 0.04 0.00 0.00 34.50 32.43 1til s PRO 32 CO 0.86 -0.81 1.02 0.99 0.04 0.00 0.00 177.00 179.11 1til s THR 33 N -3.01 2.01 0.16 1.26 2.01 -1.26 -4.79 115.64 112.02 1til s THR 33 Ca 0.55 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 1til s THR 33 Cb -0.11 -2.02 -0.08 0.00 0.01 0.00 0.00 72.50 70.31 1til s THR 33 CO 0.44 -0.00 1.45 0.24 -0.69 0.00 0.00 174.62 176.06 1til h MET 34 N -2.69 0.72 0.22 4.92 2.86 -1.99 -2.36 114.93 116.61 1til h MET 34 Ca -0.62 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 56.55 1til h MET 34 Cb 1.33 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1til h MET 34 CO 0.50 1.08 -0.10 -0.44 1.06 0.00 0.00 176.91 179.01 1til h ASP 35 N 0.55 -0.25 -0.90 1.22 3.32 -1.98 -0.42 116.42 117.96 1til h ASP 35 Ca 0.01 -0.21 0.22 0.00 0.02 0.00 0.00 57.03 57.07 1til h ASP 35 Cb 1.14 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 1til h ASP 35 CO 0.12 0.09 0.41 -0.33 -1.72 0.00 0.00 179.24 177.81 1til h GLU 36 N -0.61 0.42 0.60 3.56 5.08 -1.90 0.65 114.58 122.38 1til h GLU 36 Ca -0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1til h GLU 36 Cb 0.44 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1til h GLU 36 CO 0.05 0.28 -0.29 1.25 -1.00 0.00 0.00 179.01 179.30 1til h LEU 37 N 0.43 -0.68 -1.09 1.33 5.85 -1.26 -2.04 115.31 117.85 1til h LEU 37 Ca 0.56 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.49 1til h LEU 37 Cb 1.04 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 1til h LEU 37 CO -0.51 -0.30 0.62 0.74 -0.34 0.00 0.00 178.44 178.64 1til h THR 38 N -1.12 0.58 -0.70 1.05 2.02 0.20 0.28 112.91 115.22 1til h THR 38 Ca -0.08 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1til h THR 38 Cb 0.66 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1til h THR 38 CO 0.13 0.11 0.17 -0.33 0.37 0.00 0.00 175.52 175.98 1til h GLU 39 N 0.59 1.11 -0.09 6.66 5.08 0.37 -0.06 114.58 128.25 1til h GLU 39 Ca 0.61 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1til h GLU 39 Cb 1.19 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1til h GLU 39 CO -0.41 0.98 -0.13 0.82 -1.00 0.00 0.00 179.01 179.27 1til h ILE 40 N 1.06 1.38 0.00 3.13 2.04 0.20 -1.98 117.51 123.34 1til h ILE 40 Ca 0.22 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.74 1til h ILE 40 Cb 0.36 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1til h ILE 40 CO 0.00 0.38 -0.11 0.11 0.00 0.00 0.00 178.15 178.53 1til h LYS 41 N -0.19 -0.18 -0.16 2.37 1.57 -0.90 -1.54 116.57 117.53 1til h LYS 41 Ca 0.01 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1til h LYS 41 Cb 0.68 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.96 1til h LYS 41 CO 0.03 -0.12 -0.36 1.15 -0.57 0.00 0.00 179.45 179.58 1til h THR 42 N -0.19 0.23 -0.73 -0.16 2.02 -1.02 -1.04 112.91 112.02 1til h THR 42 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1til h THR 42 Cb 0.24 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 1til h THR 42 CO -0.11 0.00 0.48 0.58 0.37 0.00 0.00 175.52 176.84 1til h VAL 43 N -0.42 1.08 -0.56 3.16 2.07 -1.15 -0.68 116.25 119.75 1til h VAL 43 Ca 0.10 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1til h VAL 43 Cb 0.58 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1til h VAL 43 CO -0.39 0.15 -0.09 0.58 0.02 0.00 0.00 177.57 177.84 1til h VAL 44 N 0.84 1.27 -0.67 2.57 2.07 -0.68 -2.22 116.25 119.42 1til h VAL 44 Ca 0.30 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1til h VAL 44 Cb 0.13 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1til h VAL 44 CO -0.09 0.45 0.21 -1.28 0.02 0.00 0.00 177.57 176.87 1til h SER 45 N 0.94 0.96 -0.20 0.57 0.87 -0.37 -1.21 113.55 115.11 1til h SER 45 Ca 0.15 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1til h SER 45 Cb 0.66 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1til h SER 45 CO 0.05 0.90 0.07 -0.33 -0.53 0.00 0.00 176.83 176.99 1til h GLU 46 N 0.99 0.31 -0.11 2.24 4.39 -0.74 -2.18 114.58 119.48 1til h GLU 46 Ca 0.22 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.64 1til h GLU 46 Cb 0.28 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1til h GLU 46 CO -0.01 0.39 -0.79 0.00 -1.16 0.00 0.00 179.01 177.44 1til h ALA 47 N 0.91 0.39 -0.44 3.43 0.00 -1.31 -2.66 119.26 119.57 1til h ALA 47 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1til h ALA 47 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1til h ALA 47 CO -0.00 0.72 -0.09 0.28 0.00 0.00 0.00 179.25 180.16 1til h VAL 48 N 0.43 1.25 -0.48 0.00 2.07 -1.25 -1.58 116.25 116.69 1til h VAL 48 Ca -0.05 -1.13 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1til h VAL 48 Cb 1.41 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1til h VAL 48 CO 0.15 0.39 -0.20 0.74 0.02 0.00 0.00 177.57 178.67 1til h THR 49 N 0.71 1.27 -0.61 2.57 2.02 -1.41 -1.61 112.91 115.85 1til h THR 49 Ca 0.12 -1.36 0.03 0.00 0.77 0.00 0.00 66.41 65.97 1til h THR 49 Cb 0.56 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1til h THR 49 CO 0.03 0.47 0.37 0.78 0.37 0.00 0.00 175.52 177.55 1til h ASN 50 N 0.85 0.60 -0.21 4.18 2.35 -1.21 0.24 115.58 122.37 1til h ASN 50 Ca 0.11 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1til h ASN 50 Cb 0.78 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 1til h ASN 50 CO 0.06 0.42 0.08 0.00 -1.65 0.00 0.00 177.43 176.34 1til h ALA 51 N 1.27 0.24 0.20 -0.83 0.00 -0.95 0.13 119.26 119.31 1til h ALA 51 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1til h ALA 51 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1til h ALA 51 CO -0.10 -0.34 -0.09 0.82 0.00 0.00 0.00 179.25 179.53 1til h ILE 52 N 0.19 0.90 0.00 0.00 2.04 -0.58 -0.88 117.51 119.18 1til h ILE 52 Ca 0.09 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 1til h ILE 52 Cb 0.05 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1til h ILE 52 CO -0.08 0.15 -0.83 0.16 0.00 0.00 0.00 178.15 177.55 1til h ILE 53 N -0.61 0.40 0.00 -0.67 3.07 -0.59 0.18 117.51 119.29 1til h ILE 53 Ca -0.03 -1.66 -0.35 0.00 1.55 0.00 0.00 64.86 64.38 1til h ILE 53 Cb 0.45 2.01 -0.05 0.00 -0.27 0.00 0.00 36.82 38.96 1til h ILE 53 CO 0.04 0.23 -2.13 1.41 -1.05 0.00 0.00 178.15 176.65 1til n HIS 54 N -2.97 0.00 -0.15 0.16 8.25 -0.02 -3.51 115.22 116.98 1til n HIS 54 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1til n HIS 54 Cb 0.69 -0.82 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 1til n HIS 54 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1til h GLY 55 N -0.91 1.02 -0.42 -1.41 0.00 -0.80 -3.30 103.07 97.24 1til h GLY 55 Ca -0.52 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 45.89 1til h GLY 55 CO -0.32 0.84 -0.49 -1.72 0.00 0.00 0.00 176.54 174.85 1til n TYR 56 N -4.15 0.00 -3.76 5.60 0.53 -0.39 -1.37 117.16 113.61 1til n TYR 56 Ca -0.01 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.63 1til n TYR 56 Cb 0.46 0.00 0.04 0.00 -1.03 0.00 0.00 39.34 38.80 1til n TYR 56 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1til n ASN 57 N -0.65 -2.79 0.00 7.72 3.02 -1.06 -1.79 115.26 119.71 1til n ASN 57 Ca 0.05 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1til n ASN 57 Cb 0.29 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1til n ASN 57 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1til n ASN 58 N -2.98 -4.76 -4.59 6.41 3.02 0.60 -4.96 115.26 108.00 1til n ASN 58 Ca -0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 1til n ASN 58 Cb 0.62 -2.39 -0.02 0.00 -0.61 0.00 0.00 39.78 37.37 1til n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1til s ASP 59 N -2.01 6.34 0.43 6.41 -1.08 -0.74 -4.87 116.67 121.15 1til s ASP 59 Ca 0.00 0.48 0.28 0.00 -0.52 0.00 0.00 52.55 52.79 1til s ASP 59 Cb 0.00 -2.55 1.53 0.00 -1.46 0.00 0.00 42.92 40.45 1til s ASP 59 CO 0.00 -1.49 1.86 1.55 0.52 0.00 0.00 175.17 177.61 1til h PRO 60 N 10.37 0.00 0.00 4.34 0.13 -1.90 -1.44 132.00 143.49 1til h PRO 60 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1til h PRO 60 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1til h PRO 60 CO 1.14 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 179.00 1til n ASN 61 N -2.50 0.32 -4.80 1.44 3.02 -1.26 -3.17 115.26 108.30 1til n ASN 61 Ca -0.02 0.56 -0.32 0.00 -0.03 0.00 0.00 54.58 54.77 1til n ASN 61 Cb 0.07 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 38.63 1til n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1til s GLY 62 N -3.25 1.95 -0.14 7.41 0.00 -0.54 -4.89 107.32 107.86 1til s GLY 62 Ca 0.08 0.29 0.02 0.00 0.00 0.00 0.00 44.72 45.10 1til s GLY 62 CO 0.39 0.61 -0.19 -0.42 0.00 0.00 0.00 173.10 173.49 1til s ILE 63 N -2.67 2.40 -0.19 0.90 -1.09 -1.26 -1.21 121.20 118.08 1til s ILE 63 Ca 0.62 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 58.05 1til s ILE 63 Cb -0.16 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.69 1til s ILE 63 CO 0.44 0.53 0.19 -0.69 -1.23 0.00 0.00 174.94 174.19 1til s VAL 64 N 0.71 5.37 -0.25 2.92 1.01 -0.46 -4.42 120.40 125.28 1til s VAL 64 Ca -0.08 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1til s VAL 64 Cb -0.16 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1til s VAL 64 CO 0.01 0.42 -0.03 -0.44 0.00 0.00 0.00 175.10 175.06 1til s SER 65 N 0.43 4.47 0.22 3.32 0.01 -0.73 -1.59 113.70 119.83 1til s SER 65 Ca 0.11 -0.68 0.06 0.00 1.31 0.00 0.00 55.95 56.75 1til s SER 65 Cb -0.12 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 1til s SER 65 CO 0.00 -0.11 0.19 -0.63 0.41 0.00 0.00 173.24 173.11 1til s ILE 66 N 1.41 4.53 -0.25 1.44 1.01 0.21 -1.33 121.20 128.23 1til s ILE 66 Ca 0.03 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.34 1til s ILE 66 Cb -0.16 -3.40 0.11 0.00 0.01 0.00 0.00 42.46 39.02 1til s ILE 66 CO -0.03 -0.26 0.54 -0.94 0.00 0.00 0.00 174.94 174.26 1til s SER 67 N -3.59 -0.73 -0.12 3.58 1.04 -0.74 -1.47 113.70 111.67 1til s SER 67 Ca 0.32 1.31 0.01 0.00 0.48 0.00 0.00 55.95 58.07 1til s SER 67 Cb -0.09 1.86 -0.01 0.00 0.10 0.00 0.00 66.02 67.88 1til s SER 67 CO 0.25 -0.23 -0.16 -0.69 0.98 0.00 0.00 173.24 173.39 1til s VAL 68 N 2.76 2.73 -0.27 5.02 1.01 -0.60 -1.38 120.40 129.66 1til s VAL 68 Ca -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1til s VAL 68 Cb -0.12 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.22 1til s VAL 68 CO -0.16 0.53 0.03 -0.63 0.00 0.00 0.00 175.10 174.87 1til s ILE 69 N 0.38 1.30 0.00 2.22 1.01 -0.71 -0.97 121.20 124.44 1til s ILE 69 Ca -0.13 -1.38 -0.23 0.00 0.00 0.00 0.00 60.65 58.91 1til s ILE 69 Cb -0.16 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1til s ILE 69 CO 0.06 -0.40 0.70 -0.63 0.00 0.00 0.00 174.94 174.67 1til s ILE 70 N 1.45 4.86 -0.30 2.92 -1.09 -0.78 -2.24 121.20 126.02 1til s ILE 70 Ca 0.03 1.46 -0.13 0.00 -2.23 0.00 0.00 60.65 59.78 1til s ILE 70 Cb -0.18 -4.04 0.17 0.00 -1.58 0.00 0.00 42.46 36.83 1til s ILE 70 CO -0.13 0.36 1.02 -1.83 -1.23 0.00 0.00 174.94 173.12 1til s GLU 71 N 0.10 0.24 -0.90 2.79 -1.05 -0.83 -3.31 118.70 115.73 1til s GLU 71 Ca 0.36 0.51 -0.02 0.00 -0.15 0.00 0.00 54.97 55.67 1til s GLU 71 Cb -0.19 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 1til s GLU 71 CO 0.20 -0.18 0.76 -0.25 0.95 0.00 0.00 175.26 176.74 1til n ASP 72 N 5.21 -2.93 0.00 0.83 8.00 -1.26 -2.99 116.55 123.41 1til n ASP 72 Ca -0.07 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1til n ASP 72 Cb 0.53 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1til n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1til n GLY 73 N -1.24 2.59 3.92 0.44 0.00 -1.26 -4.99 105.19 104.65 1til n GLY 73 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1til n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1til s VAL 74 N -2.38 5.37 -0.13 1.61 -7.23 -1.16 -0.96 120.40 115.52 1til s VAL 74 Ca 0.00 -0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.76 1til s VAL 74 Cb 0.00 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1til s VAL 74 CO 0.00 0.13 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.12 1til s VAL 75 N -1.51 3.19 -0.40 1.32 1.01 0.57 -1.97 120.40 122.61 1til s VAL 75 Ca 0.35 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1til s VAL 75 Cb -0.13 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.01 1til s VAL 75 CO 0.28 0.52 0.16 -1.00 0.00 0.00 0.00 175.10 175.06 1til s HIS 76 N 0.31 3.63 0.29 5.22 3.76 -0.95 -0.30 115.29 127.25 1til s HIS 76 Ca -0.09 -2.75 -0.10 0.00 -0.15 0.00 0.00 55.06 51.96 1til s HIS 76 Cb -0.15 -3.07 -0.07 0.00 1.11 0.00 0.00 32.58 30.40 1til s HIS 76 CO 0.05 -0.94 0.63 -0.51 -0.85 0.00 0.00 174.74 173.12 1til s LEU 77 N 0.85 4.07 -0.09 0.89 1.43 0.94 -1.74 118.68 125.02 1til s LEU 77 Ca 0.11 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1til s LEU 77 Cb -0.21 -3.81 0.03 0.00 0.03 0.00 0.00 46.19 42.24 1til s LEU 77 CO -0.06 -0.18 0.23 -0.89 0.23 0.00 0.00 176.35 175.69 1til s THR 78 N -2.00 -0.02 -0.14 5.49 2.01 -0.48 -1.17 115.64 119.33 1til s THR 78 Ca 0.49 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 1til s THR 78 Cb -0.11 -0.34 0.06 0.00 0.01 0.00 0.00 72.50 72.12 1til s THR 78 CO 0.24 0.03 0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 1til s VAL 79 N 0.67 -0.17 0.31 3.82 1.01 -0.23 -1.79 120.40 124.02 1til s VAL 79 Ca -0.05 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1til s VAL 79 Cb -0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.80 1til s VAL 79 CO -0.04 -0.10 0.07 0.00 0.00 0.00 0.00 175.10 175.02 1til s ARG 80 N 2.21 1.60 -0.10 2.72 1.70 -0.44 -0.28 118.95 126.35 1til s ARG 80 Ca 0.04 -1.88 -0.28 0.00 -0.47 0.00 0.00 55.73 53.14 1til s ARG 80 Cb -0.15 -0.73 0.06 0.00 -0.57 0.00 0.00 34.95 33.57 1til s ARG 80 CO -0.08 -0.21 0.65 0.16 -1.08 0.00 0.00 175.30 174.74 1til s ASP 81 N -3.45 -0.63 -0.73 -2.89 1.47 -0.38 -1.77 116.67 108.30 1til s ASP 81 Ca 0.37 0.83 -0.03 0.00 1.18 0.00 0.00 52.55 54.90 1til s ASP 81 Cb 0.09 0.74 0.17 0.00 -0.34 0.00 0.00 42.92 43.58 1til s ASP 81 CO 0.15 -0.50 2.43 -0.62 0.68 0.00 0.00 175.17 177.32 1til n GLU 82 N 1.41 3.04 0.00 2.11 4.71 -1.26 -1.53 120.64 129.11 1til n GLU 82 Ca -0.18 -3.02 0.00 0.00 -0.01 0.00 0.00 57.16 53.95 1til n GLU 82 Cb 0.56 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 1til n GLU 82 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1til n GLY 83 N 0.50 1.21 0.21 0.62 0.00 -1.24 -4.73 105.19 101.76 1til n GLY 83 Ca 0.52 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.76 1til n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1til h VAL 84 N 0.00 1.05 0.00 1.61 2.07 -1.50 -3.06 116.25 116.42 1til h VAL 84 Ca 0.00 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1til h VAL 84 Cb 0.00 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1til h VAL 84 CO 0.00 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1til n GLY 85 N -0.52 -0.35 3.28 2.17 0.00 -1.26 -1.99 105.19 106.51 1til n GLY 85 Ca -0.02 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1til n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1til s ILE 86 N -2.57 3.36 0.08 -0.61 1.01 -1.26 -4.86 121.20 116.34 1til s ILE 86 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 1til s ILE 86 Cb 0.00 -2.65 -0.17 0.00 0.01 0.00 0.00 42.46 39.65 1til s ILE 86 CO 0.00 0.24 1.66 -0.65 0.00 0.00 0.00 174.94 176.19 1til h PRO 87 N 8.11 -0.61 -4.72 2.79 0.11 -1.94 -3.39 132.00 132.35 1til h PRO 87 Ca -0.35 0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.13 1til h PRO 87 Cb 1.13 0.14 -0.39 0.00 0.11 0.00 0.00 31.00 31.99 1til h PRO 87 CO 0.59 -0.40 -0.73 0.34 -0.21 0.00 0.00 178.00 177.58 1til s ASP 88 N -4.64 4.71 0.13 -2.05 -1.08 -1.26 -4.97 116.67 107.52 1til s ASP 88 Ca -0.16 -2.01 -0.12 0.00 -0.52 0.00 0.00 52.55 49.73 1til s ASP 88 Cb 0.04 -1.62 -0.05 0.00 -1.46 0.00 0.00 42.92 39.84 1til s ASP 88 CO 0.63 -0.34 1.48 0.40 0.52 0.00 0.00 175.17 177.85 1til h ILE 89 N 6.64 1.28 -0.35 4.11 2.04 -1.97 -1.97 117.51 127.29 1til h ILE 89 Ca -0.07 -1.46 0.08 0.00 1.00 0.00 0.00 64.86 64.41 1til h ILE 89 Cb 1.02 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 1til h ILE 89 CO 0.51 0.48 -0.28 -0.33 0.00 0.00 0.00 178.15 178.53 1til h GLU 90 N 0.67 -0.23 -0.23 2.37 4.39 -1.96 -1.27 114.58 118.32 1til h GLU 90 Ca 0.07 0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 1til h GLU 90 Cb 0.87 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1til h GLU 90 CO 0.08 -0.15 -0.45 1.49 -1.16 0.00 0.00 179.01 178.82 1til h GLU 91 N -0.24 0.58 -0.05 2.33 4.81 -1.97 -3.02 114.58 117.01 1til h GLU 91 Ca 0.17 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1til h GLU 91 Cb 0.50 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1til h GLU 91 CO -0.48 0.91 -0.04 0.00 -0.73 0.00 0.00 179.01 178.66 1til h ALA 92 N 1.04 1.83 0.00 2.92 0.00 -0.66 -1.88 119.26 122.51 1til h ALA 92 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1til h ALA 92 Cb 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1til h ALA 92 CO 0.09 0.13 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1til n ARG 93 N -4.44 0.26 -1.98 0.00 1.74 -0.54 -4.81 116.66 106.88 1til n ARG 93 Ca -0.02 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 1til n ARG 93 Cb 0.15 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 29.77 1til n ARG 93 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1til s GLN 94 N -3.10 4.25 0.31 5.56 -0.21 -0.71 -4.55 119.66 121.21 1til s GLN 94 Ca 0.11 2.33 -0.29 0.00 0.02 0.00 0.00 55.36 57.53 1til s GLN 94 Cb 0.12 -3.10 -0.12 0.00 1.00 0.00 0.00 33.01 30.91 1til s GLN 94 CO 0.60 -0.44 1.45 -0.35 -2.12 0.00 0.00 175.29 174.42 1til n PRO 95 N 2.29 2.40 -0.02 2.91 -0.04 -1.26 -2.21 135.00 139.06 1til n PRO 95 Ca 0.07 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1til n PRO 95 Cb 0.40 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1til n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1til n LEU 96 N 1.41 0.00 -4.68 1.53 4.77 0.55 -5.01 117.00 115.57 1til n LEU 96 Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 1til n LEU 96 Cb 0.36 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1til n LEU 96 CO 0.63 0.00 0.94 0.12 -1.33 0.00 0.00 177.39 177.75 1til s PHE 97 N -2.91 3.22 0.02 -1.77 5.36 -0.94 -4.53 117.98 116.43 1til s PHE 97 Ca 0.00 1.31 -0.11 0.00 -0.96 0.00 0.00 56.93 57.17 1til s PHE 97 Cb 0.00 -3.36 0.01 0.00 -0.34 0.00 0.00 43.02 39.33 1til s PHE 97 CO 0.00 -0.98 0.22 -0.08 -1.46 0.00 0.00 175.22 172.92 1til s THR 98 N 2.65 0.09 -0.86 0.12 -1.32 -1.26 -4.58 115.64 110.49 1til s THR 98 Ca 0.51 -0.75 0.11 0.00 -1.21 0.00 0.00 61.69 60.36 1til s THR 98 Cb -0.21 -0.78 0.32 0.00 -1.51 0.00 0.00 72.50 70.33 1til s THR 98 CO 0.16 -0.41 1.27 0.35 -2.21 0.00 0.00 174.62 173.78 1til n THR 99 N 0.90 1.11 -2.53 5.08 -2.24 -1.26 -4.57 114.28 110.77 1til n THR 99 Ca -0.20 -1.07 -0.22 0.00 -2.27 0.00 0.00 64.05 60.29 1til n THR 99 Cb 0.58 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.25 1til n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1til n LYS 100 N 0.42 2.81 0.09 -0.78 4.76 -1.26 -4.86 118.16 119.34 1til n LYS 100 Ca 0.12 -4.17 0.09 0.00 -2.87 0.00 0.00 58.31 51.48 1til n LYS 100 Cb 0.46 -1.98 0.56 0.00 -1.84 0.00 0.00 35.03 32.24 1til n LYS 100 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1til h PRO 101 N 2.69 0.23 0.00 1.97 0.13 -1.85 -0.68 132.00 134.49 1til h PRO 101 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1til h PRO 101 Cb 0.99 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1til h PRO 101 CO 0.76 0.15 0.00 -0.85 -0.23 0.00 0.00 178.00 177.83 1til n GLU 102 N -4.49 0.07 -0.75 0.86 0.00 -1.26 -2.55 120.64 112.53 1til n GLU 102 Ca 0.03 0.36 -0.02 0.00 0.00 0.00 0.00 57.16 57.53 1til n GLU 102 Cb 0.20 -1.65 0.23 0.00 0.00 0.00 0.00 31.44 30.22 1til n GLU 102 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1til n LEU 103 N -1.78 4.51 -3.87 -1.84 4.77 -0.26 -4.96 117.00 113.56 1til n LEU 103 Ca 0.02 -3.44 -0.27 0.00 -0.03 0.00 0.00 56.01 52.29 1til n LEU 103 Cb 0.16 -0.64 0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1til n LEU 103 CO 0.14 0.99 0.01 -0.62 -1.33 0.00 0.00 177.39 176.58 1til n GLU 104 N -0.81 -5.00 -3.49 3.23 1.02 -1.06 -4.95 120.64 109.58 1til n GLU 104 Ca 0.33 0.57 -0.37 0.00 -0.02 0.00 0.00 57.16 57.67 1til n GLU 104 Cb 1.09 -5.28 -0.08 0.00 -0.02 0.00 0.00 31.44 27.15 1til n GLU 104 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1til s ARG 105 N -6.43 4.17 0.41 3.49 3.00 -1.23 -4.98 118.95 117.39 1til s ARG 105 Ca 0.39 0.06 0.22 0.00 0.00 0.00 0.00 55.73 56.41 1til s ARG 105 Cb -0.20 -3.51 0.35 0.00 0.00 0.00 0.00 34.95 31.60 1til s ARG 105 CO 0.84 0.06 1.60 0.66 0.00 0.00 0.00 175.30 178.46 1til h SER 106 N 7.22 0.00 -0.00 0.23 4.64 -1.92 -3.44 113.55 120.27 1til h SER 106 Ca -0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1til h SER 106 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1til h SER 106 CO 0.71 0.11 -0.00 0.61 -0.87 0.00 0.00 176.83 177.39 1til n GLY 107 N 1.04 0.38 0.07 -0.77 0.00 -1.26 -4.25 105.19 100.40 1til n GLY 107 Ca 0.03 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 1til n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1til n MET 108 N -2.22 0.66 -0.07 1.61 2.81 -1.26 -0.33 117.12 118.31 1til n MET 108 Ca -0.00 0.01 -0.02 0.00 -1.81 0.00 0.00 57.70 55.88 1til n MET 108 Cb 0.20 -1.60 -0.02 0.00 -0.71 0.00 0.00 33.22 31.08 1til n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1til n GLY 109 N 1.53 -1.44 0.26 3.03 0.00 -1.26 -0.61 105.19 106.69 1til n GLY 109 Ca -0.19 0.39 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1til n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1til h PHE 110 N 0.00 0.71 -0.49 1.61 0.05 -1.90 -1.28 116.94 115.63 1til h PHE 110 Ca 0.03 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.90 1til h PHE 110 Cb 0.07 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 37.77 1til h PHE 110 CO -0.48 0.36 0.33 1.15 -0.18 0.00 0.00 178.31 179.49 1til h THR 111 N 0.72 0.98 -0.10 -1.55 2.02 -1.10 0.01 112.91 113.89 1til h THR 111 Ca 0.29 -0.15 -0.17 0.00 0.77 0.00 0.00 66.41 67.15 1til h THR 111 Cb 0.13 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1til h THR 111 CO -0.16 0.08 -0.65 0.40 0.37 0.00 0.00 175.52 175.56 1til h ILE 112 N 0.44 1.37 -0.36 3.11 2.04 -0.07 -2.44 117.51 121.60 1til h ILE 112 Ca 0.21 -2.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.02 1til h ILE 112 Cb 0.28 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1til h ILE 112 CO -0.05 0.61 0.05 0.24 0.00 0.00 0.00 178.15 178.99 1til h MET 113 N 0.29 0.60 -0.34 2.37 2.86 -0.24 -2.55 114.93 117.92 1til h MET 113 Ca -0.01 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1til h MET 113 Cb 1.20 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1til h MET 113 CO 0.11 0.67 -0.06 0.93 1.06 0.00 0.00 176.91 179.62 1til h GLU 114 N 0.43 0.56 0.00 1.72 5.08 -1.20 -2.41 114.58 118.76 1til h GLU 114 Ca 0.11 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1til h GLU 114 Cb 0.37 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1til h GLU 114 CO 0.01 0.63 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.54 1til h ASN 115 N 0.52 0.00 -0.01 1.42 -0.26 -1.37 -3.33 115.58 112.56 1til h ASN 115 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1til h ASN 115 Cb 0.43 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1til h ASN 115 CO 0.02 0.19 -0.61 0.49 -1.06 0.00 0.00 177.43 176.46 1til n PHE 116 N -3.16 0.00 -4.45 1.19 0.99 -0.97 -5.01 117.46 106.06 1til n PHE 116 Ca 0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.26 1til n PHE 116 Cb 0.59 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 38.96 1til n PHE 116 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 1til s MET 117 N -2.40 1.59 0.21 -1.08 -1.94 -0.92 -4.87 119.30 109.90 1til s MET 117 Ca 0.11 -1.78 0.25 0.00 -1.71 0.00 0.00 55.69 52.56 1til s MET 117 Cb 0.14 -1.37 0.60 0.00 2.01 0.00 0.00 34.83 36.22 1til s MET 117 CO 0.60 0.13 1.61 -0.44 -0.01 0.00 0.00 175.02 176.91 1til h ASP 118 N 2.27 0.00 -2.94 3.03 3.32 -1.38 -3.46 116.42 117.25 1til h ASP 118 Ca -0.40 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 56.66 1til h ASP 118 Cb 1.24 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.53 1til h ASP 118 CO 0.66 0.03 0.35 -0.70 -1.72 0.00 0.00 179.24 177.86 1til s GLU 119 N -3.14 0.50 -0.12 3.56 2.12 -1.13 -4.96 118.70 115.53 1til s GLU 119 Ca 0.09 0.72 -0.01 0.00 0.36 0.00 0.00 54.97 56.13 1til s GLU 119 Cb 0.12 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.71 1til s GLU 119 CO 0.65 -0.08 -0.04 0.08 -0.54 0.00 0.00 175.26 175.32 1til s VAL 120 N 0.87 0.83 -0.18 3.70 1.01 -1.26 -1.52 120.40 123.85 1til s VAL 120 Ca -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1til s VAL 120 Cb -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1til s VAL 120 CO -0.11 0.25 -0.14 -0.63 0.00 0.00 0.00 175.10 174.47 1til s ILE 121 N 1.78 2.65 -0.24 2.22 -1.09 -0.72 -4.98 121.20 120.82 1til s ILE 121 Ca 0.04 -0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 57.66 1til s ILE 121 Cb -0.13 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 1til s ILE 121 CO -0.07 0.50 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.42 1til s VAL 122 N 1.11 3.36 -0.09 2.92 1.01 -1.26 -0.48 120.40 126.96 1til s VAL 122 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1til s VAL 122 Cb -0.14 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1til s VAL 122 CO -0.05 0.31 -0.10 -1.61 0.00 0.00 0.00 175.10 173.65 1til s GLU 123 N 1.45 2.93 -0.24 2.72 2.02 -0.14 -5.00 118.70 122.44 1til s GLU 123 Ca 0.04 -0.63 -0.24 0.00 0.02 0.00 0.00 54.97 54.17 1til s GLU 123 Cb -0.15 -2.57 0.07 0.00 0.10 0.00 0.00 34.13 31.57 1til s GLU 123 CO -0.03 0.49 0.67 0.45 0.02 0.00 0.00 175.26 176.87 1til s SER 124 N -0.37 -0.70 -0.05 -0.19 0.15 -1.26 -0.63 113.70 110.65 1til s SER 124 Ca 0.04 1.32 0.02 0.00 0.70 0.00 0.00 55.95 58.03 1til s SER 124 Cb -0.12 1.33 0.02 0.00 -1.71 0.00 0.00 66.02 65.53 1til s SER 124 CO 0.02 -0.26 -0.07 -0.70 1.20 0.00 0.00 173.24 173.43 1til s GLU 125 N 0.26 1.13 0.31 5.44 2.12 -0.86 -4.76 118.70 122.34 1til s GLU 125 Ca -0.01 -0.22 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 1til s GLU 125 Cb -0.04 -1.03 -0.12 0.00 0.26 0.00 0.00 34.13 33.20 1til s GLU 125 CO 0.01 -0.03 1.58 0.28 -0.54 0.00 0.00 175.26 176.56 1til n VAL 126 N 3.93 1.20 -2.46 3.70 0.31 -1.26 -2.06 118.33 121.69 1til n VAL 126 Ca -0.24 -0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 63.62 1til n VAL 126 Cb 0.51 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1til n VAL 126 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1til n ASN 127 N 1.85 -4.85 0.15 4.52 5.15 -0.84 -4.81 115.26 116.43 1til n ASN 127 Ca 0.07 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1til n ASN 127 Cb 0.37 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 35.73 1til n ASN 127 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1til n LYS 128 N -2.74 0.00 -3.91 1.20 4.81 -0.87 -5.03 118.16 111.62 1til n LYS 128 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1til n LYS 128 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 1til n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1til n GLY 129 N 1.19 -2.64 2.93 3.14 0.00 -1.03 -3.59 105.19 105.20 1til n GLY 129 Ca 0.00 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 1til n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1til s THR 130 N -2.13 0.59 -0.12 2.61 2.01 -0.59 -2.04 115.64 115.97 1til s THR 130 Ca 0.00 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 1til s THR 130 Cb 0.00 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 71.97 1til s THR 130 CO 0.00 0.21 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.18 1til s THR 131 N 0.54 1.03 -0.14 -0.82 2.01 0.19 -1.25 115.64 117.21 1til s THR 131 Ca -0.07 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1til s THR 131 Cb -0.11 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1til s THR 131 CO 0.00 0.31 0.00 -0.69 -0.69 0.00 0.00 174.62 173.56 1til s VAL 132 N 1.70 4.29 -0.01 3.82 1.01 0.61 -0.96 120.40 130.85 1til s VAL 132 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1til s VAL 132 Cb -0.13 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1til s VAL 132 CO -0.08 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.13 1til s TYR 133 N -0.08 2.79 -0.09 5.22 1.51 0.36 -1.07 117.35 125.99 1til s TYR 133 Ca 0.04 -0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1til s TYR 133 Cb -0.13 -1.60 0.05 0.00 -0.11 0.00 0.00 41.96 40.18 1til s TYR 133 CO 0.02 0.30 0.18 -0.51 -1.11 0.00 0.00 175.55 174.43 1til s LEU 134 N -1.20 -0.09 -0.17 -1.29 1.43 -0.32 -1.75 118.68 115.28 1til s LEU 134 Ca 0.15 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 1til s LEU 134 Cb -0.11 0.37 -0.04 0.00 0.03 0.00 0.00 46.19 46.44 1til s LEU 134 CO 0.05 -0.24 0.05 -0.75 0.23 0.00 0.00 176.35 175.69 1til s LYS 135 N 2.27 3.87 -0.15 1.70 2.20 -0.58 -0.04 119.74 129.02 1til s LYS 135 Ca 0.02 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.24 1til s LYS 135 Cb -0.12 -3.16 0.06 0.00 -1.51 0.00 0.00 37.83 33.10 1til s LYS 135 CO -0.06 0.32 0.07 0.21 -0.36 0.00 0.00 175.35 175.52 1til s LYS 136 N 0.24 0.18 0.22 4.03 2.47 0.59 -1.00 119.74 126.46 1til s LYS 136 Ca 0.03 -0.08 -0.30 0.00 -1.56 0.00 0.00 55.97 54.06 1til s LYS 136 Cb -0.12 -1.69 -0.09 0.00 -1.46 0.00 0.00 37.83 34.47 1til s LYS 136 CO 0.01 -0.61 1.13 -1.01 0.16 0.00 0.00 175.35 175.03 1til s HIS 137 N 2.08 3.53 -0.31 4.03 3.76 -1.26 -0.31 115.29 126.80 1til s HIS 137 Ca 0.02 1.58 -0.05 0.00 -0.15 0.00 0.00 55.06 56.46 1til s HIS 137 Cb -0.16 -3.33 0.04 0.00 1.11 0.00 0.00 32.58 30.24 1til s HIS 137 CO -0.08 -0.79 0.06 0.42 -0.85 0.00 0.00 174.74 173.50 1til s ILE 138 N -0.55 3.52 -0.37 0.60 -1.09 -0.13 -4.93 121.20 118.25 1til s ILE 138 Ca 0.48 -1.11 -0.32 0.00 -2.23 0.00 0.00 60.65 57.48 1til s ILE 138 Cb -0.32 -2.95 -0.10 0.00 -1.58 0.00 0.00 42.46 37.52 1til s ILE 138 CO 0.38 -0.08 2.26 0.52 -1.23 0.00 0.00 174.94 176.79 1til n VAL 139 N 4.76 0.18 -3.25 2.92 0.31 -1.26 -4.88 118.33 117.10 1til n VAL 139 Ca -0.13 -0.38 -0.40 0.00 -0.01 0.00 0.00 64.34 63.42 1til n VAL 139 Cb 0.45 -1.99 -0.08 0.00 -0.91 0.00 0.00 33.84 31.31 1til n VAL 139 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1til s LYS 140 N 6.71 3.86 0.00 5.55 -2.85 -1.26 -4.80 119.74 126.95 1til s LYS 140 Ca 1.07 0.07 0.30 0.00 -1.00 0.00 0.00 55.97 56.41 1til s LYS 140 Cb -0.65 -3.72 1.79 0.00 -2.06 0.00 0.00 37.83 33.19 1til s LYS 140 CO 0.42 -0.48 2.12 -1.13 0.10 0.00 0.00 175.35 176.39