#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg9 n ALA 0 N 0.00 5.90 -3.88 5.20 0.00 -1.26 -5.06 120.51 121.42 3fg9 n ALA 0 Ca 0.00 -4.20 -0.33 0.00 0.00 0.00 0.00 53.44 48.91 3fg9 n ALA 0 Cb 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 3fg9 n ALA 0 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fg9 s GLU 2 N -3.85 2.08 0.17 0.00 2.12 -1.26 -5.25 118.70 112.72 3fg9 s GLU 2 Ca 0.50 -1.52 -0.22 0.00 0.36 0.00 0.00 54.97 54.09 3fg9 s GLU 2 Cb 0.42 -3.16 0.08 0.00 0.26 0.00 0.00 34.13 31.73 3fg9 s GLU 2 CO -0.32 -0.75 1.60 -0.97 -0.54 0.00 0.00 175.26 174.28 3fg9 h ASN 3 N 7.85 -1.08 -0.30 -1.70 -0.73 -2.06 -2.86 115.58 114.69 3fg9 h ASN 3 Ca -0.15 0.20 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 3fg9 h ASN 3 Cb 1.04 0.52 -0.01 0.00 0.27 0.00 0.00 38.32 40.14 3fg9 h ASN 3 CO 0.53 -0.31 0.16 -0.61 -0.37 0.00 0.00 177.43 176.83 3fg9 h GLN 4 N -0.22 0.42 -1.95 6.67 4.15 -2.05 -2.83 115.11 119.28 3fg9 h GLN 4 Ca 0.19 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3fg9 h GLN 4 Cb 0.54 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3fg9 h GLN 4 CO -0.57 0.36 0.00 1.17 -1.93 0.00 0.00 178.83 177.86 3fg9 n LYS 5 N -4.81 0.06 0.00 1.69 4.81 -1.08 -3.09 118.16 115.74 3fg9 n LYS 5 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3fg9 n LYS 5 Cb 0.08 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.66 3fg9 n LYS 5 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3fg9 n GLN 7 N 1.19 0.00 -1.97 1.64 1.13 -1.07 -4.94 117.38 113.36 3fg9 n GLN 7 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 3fg9 n GLN 7 Cb 0.03 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.35 3fg9 n GLN 7 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3fg9 s GLU 8 N 0.00 4.23 0.68 -1.09 2.12 -1.18 -4.94 118.70 118.53 3fg9 s GLU 8 Ca 0.00 2.33 -0.17 0.00 0.36 0.00 0.00 54.97 57.49 3fg9 s GLU 8 Cb 0.00 -3.15 -0.00 0.00 0.26 0.00 0.00 34.13 31.24 3fg9 s GLU 8 CO 0.00 -0.55 1.12 -2.30 -0.54 0.00 0.00 175.26 172.99 3fg9 n PRO 9 N 3.54 0.77 -4.02 4.30 -0.02 -1.26 -5.01 135.00 133.30 3fg9 n PRO 9 Ca 0.12 0.32 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 3fg9 n PRO 9 Cb 0.39 -2.35 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 3fg9 n PRO 9 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fg9 s LEU 10 N -3.66 1.54 -0.09 2.45 0.20 -1.26 -5.11 118.68 112.76 3fg9 s LEU 10 Ca 0.78 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 55.19 3fg9 s LEU 10 Cb -0.37 -1.07 0.01 0.00 -0.43 0.00 0.00 46.19 44.34 3fg9 s LEU 10 CO 0.46 -0.07 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.61 3fg9 s VAL 11 N 1.51 1.41 0.18 1.68 1.01 -1.26 -5.12 120.40 119.81 3fg9 s VAL 11 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3fg9 s VAL 11 Cb -0.13 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 3fg9 s VAL 11 CO -0.09 0.42 1.33 -0.31 0.00 0.00 0.00 175.10 176.44 3fg9 s TYR 12 N 0.74 3.25 -0.10 5.22 2.02 -1.26 -4.95 117.35 122.27 3fg9 s TYR 12 Ca -0.12 1.17 0.21 0.00 -0.37 0.00 0.00 57.07 57.95 3fg9 s TYR 12 Cb -0.16 -3.62 -0.25 0.00 -0.40 0.00 0.00 41.96 37.53 3fg9 s TYR 12 CO 0.03 -1.99 0.54 0.54 -1.57 0.00 0.00 175.55 173.10 3fg9 n ARG 13 N 2.87 0.65 -3.52 -0.62 5.12 -1.26 -4.89 116.66 115.01 3fg9 n ARG 13 Ca 0.07 -0.07 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 3fg9 n ARG 13 Cb 0.43 -1.60 -0.09 0.00 -1.16 0.00 0.00 32.46 30.03 3fg9 n ARG 13 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3fg9 s ARG 14 N -3.27 0.32 -0.15 5.56 0.52 -1.26 -3.94 118.95 116.73 3fg9 s ARG 14 Ca -0.07 0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 55.90 3fg9 s ARG 14 Cb 0.11 -0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.51 3fg9 s ARG 14 CO 0.87 -0.42 -0.01 0.42 0.02 0.00 0.00 175.30 176.18 3fg9 s ILE 15 N 2.57 4.19 -0.25 1.52 -1.09 -0.46 -0.73 121.20 126.95 3fg9 s ILE 15 Ca 0.05 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.19 3fg9 s ILE 15 Cb -0.13 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3fg9 s ILE 15 CO -0.14 0.51 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.80 3fg9 s LEU 16 N 0.12 3.20 -0.25 2.97 2.96 -0.02 -0.46 118.68 127.21 3fg9 s LEU 16 Ca 0.01 -0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 52.91 3fg9 s LEU 16 Cb -0.13 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3fg9 s LEU 16 CO 0.02 -0.13 0.25 -0.22 -1.32 0.00 0.00 176.35 174.95 3fg9 s LEU 17 N 1.32 4.08 -0.20 -0.68 2.96 0.25 -0.06 118.68 126.36 3fg9 s LEU 17 Ca -0.00 0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 54.01 3fg9 s LEU 17 Cb -0.17 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3fg9 s LEU 17 CO -0.04 -0.05 0.08 -0.89 -1.32 0.00 0.00 176.35 174.12 3fg9 s THR 18 N 1.53 4.82 0.12 3.68 2.01 -0.37 -0.52 115.64 126.90 3fg9 s THR 18 Ca 0.11 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.16 3fg9 s THR 18 Cb -0.15 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3fg9 s THR 18 CO 0.08 0.43 -0.17 0.68 -0.69 0.00 0.00 174.62 174.95 3fg9 s VAL 19 N 0.57 1.56 0.00 3.82 -7.23 -0.22 -4.43 120.40 114.47 3fg9 s VAL 19 Ca 0.04 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 3fg9 s VAL 19 Cb -0.13 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.24 3fg9 s VAL 19 CO 0.01 -0.26 0.00 -0.90 -0.31 0.00 0.00 175.10 173.64 3fg9 n ASP 20 N 0.70 1.32 -0.55 4.85 5.68 -1.26 -4.44 116.55 122.86 3fg9 n ASP 20 Ca -0.17 -0.82 0.13 0.00 -0.50 0.00 0.00 54.79 53.43 3fg9 n ASP 20 Cb 0.56 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.99 3fg9 n ASP 20 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3fg9 n GLU 21 N -0.28 1.75 -3.14 0.11 0.28 -1.26 -4.95 120.64 113.15 3fg9 n GLU 21 Ca 0.00 -1.10 -0.27 0.00 -0.16 0.00 0.00 57.16 55.63 3fg9 n GLU 21 Cb 0.00 -1.46 -0.02 0.00 1.43 0.00 0.00 31.44 31.39 3fg9 n GLU 21 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3fg9 s ASP 22 N -1.87 6.38 -0.14 -1.84 1.01 -1.26 -5.08 116.67 113.86 3fg9 s ASP 22 Ca 0.36 0.74 -0.01 0.00 0.71 0.00 0.00 52.55 54.35 3fg9 s ASP 22 Cb 0.20 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 3fg9 s ASP 22 CO 0.31 -0.33 -0.10 -1.81 0.21 0.00 0.00 175.17 173.46 3fg9 s ASP 23 N -3.58 4.31 0.19 0.27 -0.00 -1.26 -4.93 116.67 111.67 3fg9 s ASP 23 Ca 0.45 -0.25 -0.23 0.00 -0.00 0.00 0.00 52.55 52.52 3fg9 s ASP 23 Cb -0.10 -1.66 0.06 0.00 -0.00 0.00 0.00 42.92 41.22 3fg9 s ASP 23 CO 0.35 0.17 0.95 0.54 -0.00 0.00 0.00 175.17 177.18 3fg9 s ASN 24 N 0.32 -0.13 0.23 0.27 2.20 -1.26 -5.03 114.94 111.54 3fg9 s ASN 24 Ca -0.08 -0.55 -0.06 0.00 -0.94 0.00 0.00 52.86 51.23 3fg9 s ASN 24 Cb -0.15 0.54 0.20 0.00 -2.00 0.00 0.00 41.25 39.84 3fg9 s ASN 24 CO 0.05 -1.03 1.79 0.74 -2.94 0.00 0.00 177.10 175.71 3fg9 h THR 25 N 2.00 1.26 -0.52 0.54 2.02 -1.99 -2.16 112.91 114.05 3fg9 h THR 25 Ca -0.25 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.05 3fg9 h THR 25 Cb 1.23 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3fg9 h THR 25 CO 0.29 0.33 0.08 0.77 0.37 0.00 0.00 175.52 177.36 3fg9 h SER 26 N 1.11 0.77 -0.41 4.18 4.64 -1.90 -0.52 113.55 121.42 3fg9 h SER 26 Ca 0.25 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3fg9 h SER 26 Cb 0.22 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3fg9 h SER 26 CO -0.02 0.79 0.13 0.28 -0.87 0.00 0.00 176.83 177.14 3fg9 h SER 27 N 0.78 0.60 0.04 4.97 0.02 -1.81 0.56 113.55 118.70 3fg9 h SER 27 Ca 0.16 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3fg9 h SER 27 Cb 0.36 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3fg9 h SER 27 CO 0.01 0.64 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.23 3fg9 h GLU 28 N 0.52 -0.06 -0.27 3.45 4.81 -1.06 -1.40 114.58 120.57 3fg9 h GLU 28 Ca 0.13 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3fg9 h GLU 28 Cb 0.26 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3fg9 h GLU 28 CO -0.00 -0.04 -0.21 0.00 -0.73 0.00 0.00 179.01 178.03 3fg9 h ARG 29 N -0.06 0.49 -0.59 1.92 3.08 -0.98 -0.51 114.38 117.72 3fg9 h ARG 29 Ca -0.00 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3fg9 h ARG 29 Cb 0.06 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3fg9 h ARG 29 CO -0.00 0.67 0.28 0.00 -1.07 0.00 0.00 179.97 179.85 3fg9 h ALA 30 N 1.35 0.76 -0.19 0.04 0.00 -0.70 0.89 119.26 121.40 3fg9 h ALA 30 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fg9 h ALA 30 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3fg9 h ALA 30 CO 0.04 0.32 0.10 0.35 0.00 0.00 0.00 179.25 180.07 3fg9 h PHE 31 N 0.80 0.27 -0.73 0.00 3.57 -0.94 -0.85 116.94 119.05 3fg9 h PHE 31 Ca 0.20 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3fg9 h PHE 31 Cb 0.12 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3fg9 h PHE 31 CO -0.00 0.25 0.23 0.00 -2.23 0.00 0.00 178.31 176.56 3fg9 h ARG 32 N 0.20 1.13 -0.05 1.11 3.08 -0.83 -0.53 114.38 118.49 3fg9 h ARG 32 Ca 0.07 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3fg9 h ARG 32 Cb 0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3fg9 h ARG 32 CO -0.01 0.96 0.02 -0.92 -1.07 0.00 0.00 179.97 178.95 3fg9 h TYR 33 N 1.09 0.08 -0.86 3.04 3.20 -0.66 0.71 116.97 123.57 3fg9 h TYR 33 Ca 0.24 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3fg9 h TYR 33 Cb 0.30 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3fg9 h TYR 33 CO 0.02 0.22 0.42 0.00 -1.64 0.00 0.00 178.16 177.19 3fg9 h ALA 34 N 0.85 1.13 0.06 1.82 0.00 -0.98 -0.42 119.26 121.73 3fg9 h ALA 34 Ca 0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 3fg9 h ALA 34 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3fg9 h ALA 34 CO -0.00 0.67 -1.10 1.79 0.00 0.00 0.00 179.25 180.60 3fg9 h THR 35 N 1.22 1.60 -0.47 0.00 1.35 -1.09 -0.91 112.91 114.61 3fg9 h THR 35 Ca 0.30 -3.19 -0.01 0.00 -0.55 0.00 0.00 66.41 62.96 3fg9 h THR 35 Cb 0.10 2.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 3fg9 h THR 35 CO -0.04 0.92 0.27 0.74 -0.25 0.00 0.00 175.52 177.17 3fg9 h THR 36 N 0.04 1.15 0.04 6.82 2.02 -0.70 0.93 112.91 123.22 3fg9 h THR 36 Ca -0.07 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 3fg9 h THR 36 Cb 1.84 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 3fg9 h THR 36 CO 0.17 0.16 -0.02 0.25 0.37 0.00 0.00 175.52 176.44 3fg9 h LEU 37 N 0.63 -0.05 -1.09 2.58 6.46 -1.02 0.19 115.31 123.01 3fg9 h LEU 37 Ca 0.17 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3fg9 h LEU 37 Cb 0.02 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 3fg9 h LEU 37 CO -0.03 0.04 0.29 0.00 -0.62 0.00 0.00 178.44 178.11 3fg9 h ALA 38 N 0.82 1.28 -0.07 1.25 0.00 -1.06 -1.22 119.26 120.27 3fg9 h ALA 38 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3fg9 h ALA 38 Cb 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fg9 h ALA 38 CO 0.01 0.54 -0.02 1.25 0.00 0.00 0.00 179.25 181.03 3fg9 h HIS 39 N 0.92 0.15 -0.10 0.00 -0.00 -0.62 -1.11 115.15 114.39 3fg9 h HIS 39 Ca 0.22 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 3fg9 h HIS 39 Cb 0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 3fg9 h HIS 39 CO 0.01 0.47 -0.47 -0.44 -0.00 0.00 0.00 177.93 177.50 3fg9 h ASP 40 N -0.21 0.27 -0.03 3.26 3.32 -0.32 -3.00 116.42 119.71 3fg9 h ASP 40 Ca 0.02 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3fg9 h ASP 40 Cb 0.42 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3fg9 h ASP 40 CO 0.01 0.70 0.00 -1.22 -1.72 0.00 0.00 179.24 177.01 3fg9 n TYR 41 N -3.98 0.01 -3.41 4.55 4.01 -0.49 -5.01 117.16 112.84 3fg9 n TYR 41 Ca -0.02 -0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 3fg9 n TYR 41 Cb 0.52 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.61 3fg9 n TYR 41 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3fg9 n ASP 42 N 1.04 -5.89 -4.24 7.72 2.03 -0.47 -5.02 116.55 111.72 3fg9 n ASP 42 Ca 0.11 -0.81 -0.19 0.00 0.52 0.00 0.00 54.79 54.42 3fg9 n ASP 42 Cb 0.46 -4.59 -0.11 0.00 -0.72 0.00 0.00 41.12 36.17 3fg9 n ASP 42 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3fg9 s VAL 43 N -3.42 1.35 0.50 5.18 -7.23 -0.88 -5.06 120.40 110.84 3fg9 s VAL 43 Ca 0.43 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.73 3fg9 s VAL 43 Cb -0.09 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.30 3fg9 s VAL 43 CO 0.78 -0.36 1.16 -2.84 -0.31 0.00 0.00 175.10 173.54 3fg9 s PRO 44 N -2.48 3.56 -0.06 4.82 0.02 -1.25 -4.68 135.00 134.93 3fg9 s PRO 44 Ca 0.07 1.73 0.05 0.00 0.02 0.00 0.00 61.00 62.87 3fg9 s PRO 44 Cb -0.06 -2.24 -0.00 0.00 0.02 0.00 0.00 34.50 32.22 3fg9 s PRO 44 CO 0.03 -0.70 -0.20 -1.17 -0.33 0.00 0.00 177.00 174.63 3fg9 s LEU 45 N -3.36 1.95 -0.07 -5.54 2.96 -0.13 -1.35 118.68 113.14 3fg9 s LEU 45 Ca 0.68 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3fg9 s LEU 45 Cb -0.27 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 3fg9 s LEU 45 CO 0.32 0.17 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.54 3fg9 s GLY 46 N 0.10 1.52 -0.25 7.98 0.00 0.40 -1.20 107.32 115.87 3fg9 s GLY 46 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.69 3fg9 s GLY 46 CO 0.04 -0.63 -0.08 -0.42 0.00 0.00 0.00 173.10 172.01 3fg9 s ILE 47 N -0.46 2.57 0.08 0.90 1.01 -0.17 -0.58 121.20 124.56 3fg9 s ILE 47 Ca 0.06 -1.27 0.08 0.00 0.00 0.00 0.00 60.65 59.52 3fg9 s ILE 47 Cb -0.12 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3fg9 s ILE 47 CO 0.02 0.12 -0.19 0.00 0.00 0.00 0.00 174.94 174.88 3fg9 s SER 49 N -1.80 0.05 -0.05 0.00 0.15 -0.99 -1.05 113.70 110.01 3fg9 s SER 49 Ca 0.16 -1.09 0.02 0.00 0.70 0.00 0.00 55.95 55.74 3fg9 s SER 49 Cb -0.10 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 3fg9 s SER 49 CO 0.07 -0.95 -0.11 -0.69 1.20 0.00 0.00 173.24 172.77 3fg9 s VAL 50 N -4.06 1.01 -0.15 4.45 1.01 -1.26 -1.79 120.40 119.61 3fg9 s VAL 50 Ca 0.27 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 3fg9 s VAL 50 Cb 0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3fg9 s VAL 50 CO 0.07 0.32 0.63 -0.22 0.00 0.00 0.00 175.10 175.91 3fg9 s LEU 51 N 0.57 4.21 -0.06 3.92 2.96 0.39 -4.98 118.68 125.68 3fg9 s LEU 51 Ca -0.11 0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 54.53 3fg9 s LEU 51 Cb -0.14 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 3fg9 s LEU 51 CO 0.03 -0.20 0.55 -1.61 -1.32 0.00 0.00 176.35 173.80 3fg9 s GLU 52 N 1.46 4.33 0.34 1.98 2.02 -1.26 -1.74 118.70 125.83 3fg9 s GLU 52 Ca 0.31 0.62 -0.26 0.00 0.02 0.00 0.00 54.97 55.66 3fg9 s GLU 52 Cb -0.16 -3.39 -0.13 0.00 0.10 0.00 0.00 34.13 30.55 3fg9 s GLU 52 CO 0.12 0.24 0.97 0.43 0.02 0.00 0.00 175.26 177.05 3fg9 n SER 53 N 3.27 1.12 0.00 -0.19 7.64 -0.68 -4.92 113.62 119.86 3fg9 n SER 53 Ca -0.06 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.93 3fg9 n SER 53 Cb 0.51 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3fg9 n SER 53 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3fg9 n GLU 54 N 0.52 1.62 0.00 1.43 1.02 -1.26 -4.96 120.64 119.01 3fg9 n GLU 54 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3fg9 n GLU 54 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 3fg9 n GLU 54 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3fg9 n PRO 64 N 0.00 0.97 0.25 3.49 -0.02 -1.26 -5.18 135.00 133.25 3fg9 n PRO 64 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 3fg9 n PRO 64 Cb 0.00 -0.67 0.63 0.00 -0.02 0.00 0.00 33.50 33.45 3fg9 n PRO 64 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fg9 h SER 65 N 0.00 0.00 -0.09 2.55 4.64 -2.05 -1.88 113.55 116.72 3fg9 h SER 65 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3fg9 h SER 65 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3fg9 h SER 65 CO 0.00 0.08 0.00 0.50 -0.87 0.00 0.00 176.83 176.54 3fg9 h LYS 66 N 0.00 0.15 -0.71 4.77 3.64 -2.05 -1.86 116.57 120.52 3fg9 h LYS 66 Ca -0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3fg9 h LYS 66 Cb 0.15 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3fg9 h LYS 66 CO 0.01 0.40 0.27 -0.84 -2.27 0.00 0.00 179.45 177.02 3fg9 h ILE 67 N -0.12 1.25 0.00 2.00 -0.00 -1.93 -0.20 117.51 118.51 3fg9 h ILE 67 Ca 0.03 -0.81 -0.07 0.00 -0.00 0.00 0.00 64.86 64.01 3fg9 h ILE 67 Cb 0.33 0.45 -0.01 0.00 -0.00 0.00 0.00 36.82 37.59 3fg9 h ILE 67 CO 0.00 0.32 -0.34 -0.61 -0.00 0.00 0.00 178.15 177.53 3fg9 h GLN 68 N 1.02 0.00 -0.26 0.16 5.75 -1.41 -0.56 115.11 119.81 3fg9 h GLN 68 Ca 0.23 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.58 3fg9 h GLN 68 Cb 0.24 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 3fg9 h GLN 68 CO -0.02 0.34 -0.42 0.00 -2.65 0.00 0.00 178.83 176.08 3fg9 h ALA 69 N 1.66 0.40 -0.59 3.38 0.00 -0.71 -0.08 119.26 123.33 3fg9 h ALA 69 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3fg9 h ALA 69 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3fg9 h ALA 69 CO 0.04 0.52 0.24 0.87 0.00 0.00 0.00 179.25 180.93 3fg9 h LYS 70 N 0.48 0.88 -0.39 0.00 1.57 -0.81 -0.48 116.57 117.83 3fg9 h LYS 70 Ca 0.02 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3fg9 h LYS 70 Cb 1.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3fg9 h LYS 70 CO 0.10 0.75 0.15 -0.09 -0.57 0.00 0.00 179.45 179.79 3fg9 h ARG 71 N 0.82 0.58 -0.76 3.15 2.43 -1.05 -1.90 114.38 117.64 3fg9 h ARG 71 Ca 0.20 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3fg9 h ARG 71 Cb 0.19 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3fg9 h ARG 71 CO -0.02 0.55 0.48 -0.22 -1.51 0.00 0.00 179.97 179.26 3fg9 h LYS 72 N 0.48 1.01 -0.17 0.20 3.11 -0.76 -0.53 116.57 119.91 3fg9 h LYS 72 Ca 0.13 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 3fg9 h LYS 72 Cb 0.19 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 3fg9 h LYS 72 CO -0.01 0.68 0.10 1.25 -2.81 0.00 0.00 179.45 178.66 3fg9 h HIS 73 N 1.03 0.24 -0.36 1.91 2.76 -0.62 0.26 115.15 120.37 3fg9 h HIS 73 Ca 0.28 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3fg9 h HIS 73 Cb -0.09 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3fg9 h HIS 73 CO 0.00 0.22 0.14 0.28 -1.30 0.00 0.00 177.93 177.28 3fg9 h VAL 74 N 0.18 1.19 -0.83 5.26 2.07 -0.92 -0.30 116.25 122.91 3fg9 h VAL 74 Ca 0.06 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.09 3fg9 h VAL 74 Cb 0.06 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3fg9 h VAL 74 CO -0.01 0.20 0.49 -0.33 0.02 0.00 0.00 177.57 177.94 3fg9 h GLU 75 N 0.43 0.83 -0.56 1.57 5.08 -0.89 -1.41 114.58 119.62 3fg9 h GLU 75 Ca 0.12 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3fg9 h GLU 75 Cb 0.18 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3fg9 h GLU 75 CO -0.01 0.55 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.02 3fg9 h ASP 76 N 0.85 1.04 -0.16 1.42 3.32 0.04 0.89 116.42 123.82 3fg9 h ASP 76 Ca 0.38 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3fg9 h ASP 76 Cb 0.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3fg9 h ASP 76 CO -0.21 1.13 0.09 0.58 -1.72 0.00 0.00 179.24 179.10 3fg9 h VAL 77 N 0.93 1.10 -0.55 -1.35 2.07 -0.62 -1.24 116.25 116.59 3fg9 h VAL 77 Ca 0.15 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3fg9 h VAL 77 Cb 0.65 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3fg9 h VAL 77 CO 0.05 0.09 -0.08 0.58 0.02 0.00 0.00 177.57 178.22 3fg9 h VAL 78 N 0.16 1.27 -0.54 2.57 2.07 -1.14 -2.57 116.25 118.06 3fg9 h VAL 78 Ca 0.06 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 3fg9 h VAL 78 Cb 0.07 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3fg9 h VAL 78 CO -0.01 0.44 0.21 0.00 0.02 0.00 0.00 177.57 178.23 3fg9 h ALA 79 N 0.97 1.36 -0.30 1.67 0.00 -0.58 -0.34 119.26 122.04 3fg9 h ALA 79 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3fg9 h ALA 79 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fg9 h ALA 79 CO 0.04 0.48 -0.01 1.49 0.00 0.00 0.00 179.25 181.25 3fg9 h GLU 80 N 0.77 0.53 -0.89 0.00 4.81 -0.97 -0.39 114.58 118.44 3fg9 h GLU 80 Ca 0.19 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3fg9 h GLU 80 Cb 0.16 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3fg9 h GLU 80 CO -0.02 0.69 0.56 1.88 -0.73 0.00 0.00 179.01 181.39 3fg9 h TYR 81 N 0.32 1.15 -0.39 0.92 0.05 -1.06 -1.19 116.97 116.78 3fg9 h TYR 81 Ca 0.08 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 3fg9 h TYR 81 Cb 0.45 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3fg9 h TYR 81 CO 0.04 0.75 0.18 0.28 -1.05 0.00 0.00 178.16 178.36 3fg9 h VAL 82 N 1.22 1.17 -0.44 -2.88 2.07 -0.80 -0.59 116.25 116.01 3fg9 h VAL 82 Ca 0.32 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3fg9 h VAL 82 Cb -0.09 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3fg9 h VAL 82 CO -0.07 0.19 0.14 -0.61 0.02 0.00 0.00 177.57 177.24 3fg9 h GLN 83 N 0.49 0.30 -0.65 1.57 4.15 -0.77 -0.25 115.11 119.94 3fg9 h GLN 83 Ca 0.13 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 3fg9 h GLN 83 Cb 0.13 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3fg9 h GLN 83 CO -0.02 0.20 0.29 -0.07 -1.93 0.00 0.00 178.83 177.30 3fg9 h LEU 84 N 0.30 0.85 -0.83 -2.39 3.38 -0.96 -0.82 115.31 114.83 3fg9 h LEU 84 Ca 0.21 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3fg9 h LEU 84 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3fg9 h LEU 84 CO -0.22 0.74 0.12 0.00 0.09 0.00 0.00 178.44 179.17 3fg9 h ALA 85 N 1.39 1.04 -0.64 1.53 0.00 -0.53 -1.05 119.26 121.00 3fg9 h ALA 85 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fg9 h ALA 85 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3fg9 h ALA 85 CO -0.03 0.62 0.26 0.93 0.00 0.00 0.00 179.25 181.04 3fg9 h GLU 86 N 0.94 0.95 -0.24 0.00 5.08 -0.64 -2.32 114.58 118.35 3fg9 h GLU 86 Ca 0.20 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3fg9 h GLU 86 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3fg9 h GLU 86 CO 0.01 0.79 -0.07 1.96 -1.00 0.00 0.00 179.01 180.70 3fg9 h GLN 87 N 0.90 0.38 0.00 2.33 4.20 -0.77 -0.98 115.11 121.16 3fg9 h GLN 87 Ca 0.21 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3fg9 h GLN 87 Cb 0.19 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3fg9 h GLN 87 CO -0.02 0.47 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.51 3fg9 h ARG 88 N 0.36 0.00 0.00 1.46 9.65 -0.85 -3.46 114.38 121.53 3fg9 h ARG 88 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3fg9 h ARG 88 Cb 0.36 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 3fg9 h ARG 88 CO 0.02 0.01 0.00 0.41 2.80 0.00 0.00 179.97 183.20 3fg9 n GLY 89 N -0.19 1.11 3.69 2.80 0.00 -0.37 -5.01 105.19 107.21 3fg9 n GLY 89 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3fg9 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg9 s VAL 90 N -2.00 3.16 0.24 1.61 1.01 -0.90 -4.88 120.40 118.63 3fg9 s VAL 90 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.57 3fg9 s VAL 90 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3fg9 s VAL 90 CO 0.00 -0.01 1.59 0.78 0.00 0.00 0.00 175.10 177.47 3fg9 h ASN 91 N 8.37 0.42 -3.23 3.32 2.35 -1.89 -3.42 115.58 121.50 3fg9 h ASN 91 Ca -0.42 -0.21 -0.56 0.00 -0.55 0.00 0.00 56.30 54.57 3fg9 h ASN 91 Cb 1.20 -0.12 -0.40 0.00 0.05 0.00 0.00 38.32 39.05 3fg9 h ASN 91 CO 0.93 0.85 -0.76 -1.58 -1.65 0.00 0.00 177.43 175.21 3fg9 s GLN 92 N -4.03 0.75 -0.03 0.81 2.00 -1.26 -5.10 119.66 112.79 3fg9 s GLN 92 Ca -0.06 -0.78 0.01 0.00 -2.00 0.00 0.00 55.36 52.54 3fg9 s GLN 92 Cb 0.12 -2.05 0.02 0.00 0.80 0.00 0.00 33.01 31.90 3fg9 s GLN 92 CO 0.81 -0.81 -0.04 0.54 -0.50 0.00 0.00 175.29 175.28 3fg9 s VAL 93 N 1.72 0.45 0.03 1.34 0.11 -1.26 -0.96 120.40 121.83 3fg9 s VAL 93 Ca 0.04 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 3fg9 s VAL 93 Cb -0.17 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3fg9 s VAL 93 CO -0.17 0.19 -0.07 -1.83 -3.33 0.00 0.00 175.10 169.88 3fg9 s GLU 94 N 0.69 0.53 0.27 1.54 -1.05 -0.34 -5.00 118.70 115.35 3fg9 s GLU 94 Ca -0.09 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.86 3fg9 s GLU 94 Cb -0.12 -0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 33.10 3fg9 s GLU 94 CO -0.00 0.08 1.03 -1.25 0.95 0.00 0.00 175.26 176.07 3fg9 s PRO 95 N -1.09 4.69 -0.49 -4.83 0.04 -1.26 -1.00 135.00 131.06 3fg9 s PRO 95 Ca -0.05 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.68 3fg9 s PRO 95 Cb -0.07 -3.17 0.16 0.00 0.04 0.00 0.00 34.50 31.46 3fg9 s PRO 95 CO 0.00 0.31 0.35 -0.51 0.04 0.00 0.00 177.00 177.19 3fg9 s LEU 96 N -1.44 2.52 -0.30 -3.56 1.43 0.50 -4.87 118.68 112.96 3fg9 s LEU 96 Ca 0.44 -3.10 -0.15 0.00 -1.03 0.00 0.00 54.13 50.29 3fg9 s LEU 96 Cb -0.29 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 3fg9 s LEU 96 CO 0.36 -0.18 0.36 -0.69 0.23 0.00 0.00 176.35 176.43 3fg9 s VAL 97 N -0.18 5.18 0.32 -1.59 1.01 -1.26 -2.34 120.40 121.54 3fg9 s VAL 97 Ca 0.26 0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.72 3fg9 s VAL 97 Cb -0.07 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 3fg9 s VAL 97 CO -0.13 0.08 -0.13 -0.31 0.00 0.00 0.00 175.10 174.61 3fg9 s TYR 98 N 2.04 2.37 -0.01 5.22 2.02 -0.74 -5.01 117.35 123.25 3fg9 s TYR 98 Ca 0.13 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3fg9 s TYR 98 Cb -0.16 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3fg9 s TYR 98 CO 0.11 0.63 -0.11 -2.00 -1.57 0.00 0.00 175.55 172.61 3fg9 s GLU 99 N -3.58 0.87 0.00 -0.62 2.12 -1.26 -0.46 118.70 115.76 3fg9 s GLU 99 Ca 0.32 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.27 3fg9 s GLU 99 Cb -0.00 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.55 3fg9 s GLU 99 CO 0.16 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 3fg9 n GLY 100 N 2.82 -0.34 0.11 -1.50 0.00 -0.71 -4.94 105.19 100.64 3fg9 n GLY 100 Ca -0.14 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 3fg9 n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg9 h GLY 101 N 0.00 -0.17 -6.38 -0.02 0.00 -1.93 -1.81 103.07 92.77 3fg9 h GLY 101 Ca 0.00 0.06 -0.67 0.00 0.00 0.00 0.00 47.33 46.72 3fg9 h GLY 101 CO 0.00 -0.06 -0.82 -0.35 0.00 0.00 0.00 176.54 175.30 3fg9 s ASP 102 N -5.54 3.50 0.31 0.19 2.15 -1.26 -4.68 116.67 111.34 3fg9 s ASP 102 Ca -0.14 -0.67 0.04 0.00 0.43 0.00 0.00 52.55 52.21 3fg9 s ASP 102 Cb 0.01 -1.54 0.63 0.00 -0.30 0.00 0.00 42.92 41.72 3fg9 s ASP 102 CO 0.56 -0.02 1.86 1.62 -0.17 0.00 0.00 175.17 179.01 3fg9 h VAL 103 N 5.96 0.91 -0.40 1.11 3.04 -1.90 -1.08 116.25 123.90 3fg9 h VAL 103 Ca -0.43 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 64.93 3fg9 h VAL 103 Cb 1.14 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.32 3fg9 h VAL 103 CO 0.62 0.17 0.17 0.44 -1.01 0.00 0.00 177.57 177.95 3fg9 h ASP 104 N 0.91 0.55 -0.04 3.17 5.19 -1.99 -0.90 116.42 123.31 3fg9 h ASP 104 Ca 0.47 -0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.62 3fg9 h ASP 104 Cb 0.52 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 3fg9 h ASP 104 CO -0.23 0.56 -0.28 0.44 -3.12 0.00 0.00 179.24 176.61 3fg9 h ASP 105 N 0.50 0.48 -0.42 6.45 3.32 -1.81 -0.44 116.42 124.51 3fg9 h ASP 105 Ca 0.13 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3fg9 h ASP 105 Cb 0.18 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3fg9 h ASP 105 CO -0.01 0.74 0.24 0.58 -1.72 0.00 0.00 179.24 179.07 3fg9 h VAL 106 N 0.42 1.14 -0.25 -1.35 2.07 -0.74 0.29 116.25 117.83 3fg9 h VAL 106 Ca 0.06 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 3fg9 h VAL 106 Cb 0.70 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3fg9 h VAL 106 CO 0.05 0.14 -0.03 0.40 0.02 0.00 0.00 177.57 178.16 3fg9 h ILE 107 N 0.55 1.27 -0.00 4.57 2.04 -0.97 -0.57 117.51 124.39 3fg9 h ILE 107 Ca 0.15 -0.99 -0.23 0.00 1.00 0.00 0.00 64.86 64.79 3fg9 h ILE 107 Cb 0.02 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3fg9 h ILE 107 CO -0.03 0.31 -0.94 -0.07 0.00 0.00 0.00 178.15 177.42 3fg9 h LEU 108 N 0.23 0.54 0.00 1.44 3.38 -0.94 -0.06 115.31 119.90 3fg9 h LEU 108 Ca 0.07 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 3fg9 h LEU 108 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fg9 h LEU 108 CO 0.02 1.23 -1.83 -0.62 0.09 0.00 0.00 178.44 177.33 3fg9 n GLU 109 N -3.75 0.65 0.02 1.13 1.02 0.10 -4.39 120.64 115.43 3fg9 n GLU 109 Ca -0.07 -0.08 -0.02 0.00 -0.02 0.00 0.00 57.16 56.97 3fg9 n GLU 109 Cb 0.83 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.65 3fg9 n GLU 109 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3fg9 n GLN 110 N -2.45 0.08 -0.00 3.49 6.02 -0.47 -4.67 117.38 119.39 3fg9 n GLN 110 Ca -0.08 0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 3fg9 n GLN 110 Cb 0.66 -0.64 -0.10 0.00 1.02 0.00 0.00 30.24 31.19 3fg9 n GLN 110 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fg9 h VAL 111 N -0.15 1.33 -0.12 5.09 2.07 -1.05 -1.78 116.25 121.63 3fg9 h VAL 111 Ca -0.02 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3fg9 h VAL 111 Cb 0.36 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3fg9 h VAL 111 CO -0.01 0.26 0.07 0.40 0.02 0.00 0.00 177.57 178.31 3fg9 h ILE 112 N -0.44 1.08 0.00 4.57 2.04 -1.24 0.60 117.51 124.12 3fg9 h ILE 112 Ca -0.00 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3fg9 h ILE 112 Cb 0.44 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3fg9 h ILE 112 CO 0.00 0.07 -0.24 -0.65 0.00 0.00 0.00 178.15 177.34 3fg9 h PRO 113 N 0.11 0.00 0.08 2.37 0.11 -1.76 0.96 132.00 133.88 3fg9 h PRO 113 Ca 0.04 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.00 3fg9 h PRO 113 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3fg9 h PRO 113 CO -0.01 0.24 -0.75 0.93 -0.21 0.00 0.00 178.00 178.20 3fg9 h GLU 114 N 0.00 0.17 0.00 1.05 5.08 -1.04 -3.36 114.58 116.47 3fg9 h GLU 114 Ca -0.00 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3fg9 h GLU 114 Cb 0.50 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3fg9 h GLU 114 CO 0.03 1.14 -0.52 0.35 -1.00 0.00 0.00 179.01 179.00 3fg9 h PHE 115 N -0.61 0.00 -6.02 4.33 3.57 -0.90 -3.49 116.94 113.82 3fg9 h PHE 115 Ca -0.16 0.00 -0.40 0.00 3.53 0.00 0.00 57.97 60.94 3fg9 h PHE 115 Cb 1.44 0.00 0.07 0.00 2.79 0.00 0.00 35.95 40.26 3fg9 h PHE 115 CO 0.20 0.17 -0.83 1.63 -2.23 0.00 0.00 178.31 177.25 3fg9 n LYS 116 N -3.00 -4.87 -1.57 1.11 5.02 0.33 -4.99 118.16 110.19 3fg9 n LYS 116 Ca 0.01 0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 3fg9 n LYS 116 Cb 0.61 -5.24 0.06 0.00 -0.02 0.00 0.00 35.03 30.44 3fg9 n LYS 116 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fg9 s PRO 117 N -5.85 2.77 0.00 1.97 0.04 -1.26 -4.81 135.00 127.86 3fg9 s PRO 117 Ca 0.03 0.88 0.11 0.00 0.04 0.00 0.00 61.00 62.07 3fg9 s PRO 117 Cb -0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3fg9 s PRO 117 CO 0.80 -1.20 0.68 -0.40 0.04 0.00 0.00 177.00 176.92 3fg9 n ASP 118 N -3.19 1.31 -3.76 6.66 5.75 0.09 -4.94 116.55 118.48 3fg9 n ASP 118 Ca 0.07 -1.16 -0.16 0.00 -0.01 0.00 0.00 54.79 53.54 3fg9 n ASP 118 Cb 0.54 0.44 -0.16 0.00 -1.03 0.00 0.00 41.12 40.91 3fg9 n ASP 118 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3fg9 s LEU 119 N -1.63 0.92 -0.21 -2.12 2.96 -1.13 -3.24 118.68 114.23 3fg9 s LEU 119 Ca 0.09 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.99 3fg9 s LEU 119 Cb 0.09 -0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 3fg9 s LEU 119 CO 0.26 -0.15 0.06 -0.22 -1.32 0.00 0.00 176.35 174.99 3fg9 s LEU 120 N 1.24 3.63 -0.09 -0.68 0.20 -0.46 -0.84 118.68 121.68 3fg9 s LEU 120 Ca -0.07 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.71 3fg9 s LEU 120 Cb -0.13 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 3fg9 s LEU 120 CO -0.03 0.09 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.32 3fg9 s VAL 121 N 0.87 3.28 -0.02 1.68 1.01 0.92 -0.94 120.40 127.21 3fg9 s VAL 121 Ca 0.03 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 3fg9 s VAL 121 Cb -0.14 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.94 3fg9 s VAL 121 CO 0.02 0.56 0.48 0.28 0.00 0.00 0.00 175.10 176.45 3fg9 s THR 122 N -0.28 0.03 0.61 3.92 -1.32 -0.67 -1.23 115.64 116.70 3fg9 s THR 122 Ca 0.03 -0.27 -0.17 0.00 -1.21 0.00 0.00 61.69 60.06 3fg9 s THR 122 Cb -0.13 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 3fg9 s THR 122 CO 0.03 -0.15 1.13 -0.83 -2.21 0.00 0.00 174.62 172.59 3fg9 s GLY 123 N -1.41 2.40 0.55 6.08 0.00 -1.26 -0.96 107.32 112.72 3fg9 s GLY 123 Ca -0.11 0.71 0.37 0.00 0.00 0.00 0.00 44.72 45.69 3fg9 s GLY 123 CO 0.05 1.07 2.11 0.00 0.00 0.00 0.00 173.10 176.33 3fg9 h ALA 124 N 0.53 1.00 -0.00 3.20 0.00 -1.08 -2.33 119.26 120.58 3fg9 h ALA 124 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3fg9 h ALA 124 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fg9 h ALA 124 CO 0.55 0.00 -0.72 -0.25 0.00 0.00 0.00 179.25 178.83 3fg9 n ASP 125 N -2.87 0.84 -4.70 0.00 8.00 -1.26 -4.77 116.55 111.79 3fg9 n ASP 125 Ca -0.01 -0.70 -0.43 0.00 0.71 0.00 0.00 54.79 54.35 3fg9 n ASP 125 Cb 0.13 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 3fg9 n ASP 125 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fg9 n THR 126 N -1.38 0.08 -3.47 -3.53 -1.04 -0.88 -4.86 114.28 99.21 3fg9 n THR 126 Ca 0.05 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.92 3fg9 n THR 126 Cb 0.34 -1.93 -0.03 0.00 -1.82 0.00 0.00 70.33 66.89 3fg9 n THR 126 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3fg9 s GLU 127 N 1.49 1.21 -0.07 -2.82 -1.05 -1.26 -1.29 118.70 114.91 3fg9 s GLU 127 Ca 0.77 -0.38 0.02 0.00 -0.15 0.00 0.00 54.97 55.24 3fg9 s GLU 127 Cb -0.54 0.55 0.02 0.00 -0.44 0.00 0.00 34.13 33.72 3fg9 s GLU 127 CO 0.35 -0.50 -0.11 -0.06 0.95 0.00 0.00 175.26 175.89 3fg9 s PHE 128 N -3.29 1.35 0.07 4.83 0.08 -1.26 -4.86 117.98 114.90 3fg9 s PHE 128 Ca -0.01 -0.50 0.33 0.00 0.12 0.00 0.00 56.93 56.87 3fg9 s PHE 128 Cb -0.01 -1.02 1.40 0.00 -0.57 0.00 0.00 43.02 42.82 3fg9 s PHE 128 CO -0.09 -0.28 1.98 -1.00 -0.10 0.00 0.00 175.22 175.73 3fg9 h PRO 129 N 7.11 0.00 -0.24 0.24 0.13 -1.99 -2.72 132.00 134.53 3fg9 h PRO 129 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3fg9 h PRO 129 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3fg9 h PRO 129 CO 0.47 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.96 3fg9 n HIS 130 N -2.98 0.81 -1.74 1.56 8.25 -1.26 -5.00 115.22 114.85 3fg9 n HIS 130 Ca 0.00 -0.86 -0.39 0.00 -0.26 0.00 0.00 57.72 56.22 3fg9 n HIS 130 Cb 0.28 -0.27 0.04 0.00 1.12 0.00 0.00 29.99 31.15 3fg9 n HIS 130 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fg9 n SER 131 N -0.52 2.78 -0.19 0.41 3.41 -1.03 -4.87 113.62 113.62 3fg9 n SER 131 Ca 0.20 1.00 -0.02 0.00 -0.26 0.00 0.00 58.87 59.79 3fg9 n SER 131 Cb 0.83 -1.58 0.08 0.00 -0.26 0.00 0.00 64.21 63.28 3fg9 n SER 131 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3fg9 h LYS 132 N 1.59 0.49 -5.23 4.33 3.64 -1.92 -3.35 116.57 116.12 3fg9 h LYS 132 Ca -0.51 -0.03 -0.60 0.00 -1.27 0.00 0.00 60.65 58.24 3fg9 h LYS 132 Cb 1.30 -0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 3fg9 h LYS 132 CO 0.58 0.32 -0.49 0.42 -2.27 0.00 0.00 179.45 178.01 3fg9 s ILE 133 N -6.11 5.40 0.45 2.00 1.01 -1.26 -5.08 121.20 117.60 3fg9 s ILE 133 Ca -0.13 0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.50 3fg9 s ILE 133 Cb 0.15 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.05 3fg9 s ILE 133 CO 0.74 0.42 1.00 0.00 0.00 0.00 0.00 174.94 177.10 3fg9 s ALA 134 N 0.53 2.97 0.00 9.38 0.00 -1.26 -4.96 121.76 128.42 3fg9 s ALA 134 Ca 0.08 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3fg9 s ALA 134 Cb -0.12 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3fg9 s ALA 134 CO -0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3fg9 n GLY 135 N -0.27 -0.93 3.69 0.00 0.00 -1.26 -5.00 105.19 101.42 3fg9 n GLY 135 Ca 0.08 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 3fg9 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg9 s ALA 136 N -2.00 3.71 0.23 4.61 0.00 -1.26 -4.54 121.76 122.51 3fg9 s ALA 136 Ca 0.00 1.32 0.11 0.00 0.00 0.00 0.00 51.96 53.39 3fg9 s ALA 136 Cb 0.00 -3.74 0.31 0.00 0.00 0.00 0.00 23.12 19.69 3fg9 s ALA 136 CO 0.00 -1.21 1.58 0.97 0.00 0.00 0.00 175.76 177.09 3fg9 h ILE 137 N 4.86 1.41 -0.12 0.00 2.10 -1.50 -3.37 117.51 120.88 3fg9 h ILE 137 Ca -0.45 -2.23 0.04 0.00 1.08 0.00 0.00 64.86 63.30 3fg9 h ILE 137 Cb 1.21 2.22 -0.04 0.00 -1.09 0.00 0.00 36.82 39.12 3fg9 h ILE 137 CO 0.94 0.63 -0.14 1.23 -1.08 0.00 0.00 178.15 179.73 3fg9 h GLY 138 N 2.07 -0.07 1.90 8.18 0.00 -1.82 -0.72 103.07 112.61 3fg9 h GLY 138 Ca -0.01 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 3fg9 h GLY 138 CO 0.08 -0.14 -0.17 -2.55 0.00 0.00 0.00 176.54 173.76 3fg9 h PRO 139 N -0.18 0.12 -0.38 4.80 0.11 -1.94 0.75 132.00 135.29 3fg9 h PRO 139 Ca 0.09 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3fg9 h PRO 139 Cb 0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3fg9 h PRO 139 CO -0.23 0.30 0.07 0.00 -0.21 0.00 0.00 178.00 177.93 3fg9 h ARG 140 N 0.12 0.62 -0.58 1.05 3.08 -1.48 -2.26 114.38 114.92 3fg9 h ARG 140 Ca 0.02 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3fg9 h ARG 140 Cb 0.38 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3fg9 h ARG 140 CO 0.02 0.67 0.09 -0.07 -1.07 0.00 0.00 179.97 179.62 3fg9 h LEU 141 N 0.47 0.88 -1.35 3.04 3.38 -0.64 -1.51 115.31 119.57 3fg9 h LEU 141 Ca 0.12 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.99 3fg9 h LEU 141 Cb 0.35 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3fg9 h LEU 141 CO 0.01 0.89 0.51 0.00 0.09 0.00 0.00 178.44 179.94 3fg9 h ALA 142 N 1.22 1.76 -0.06 1.53 0.00 -0.66 0.24 119.26 123.29 3fg9 h ALA 142 Ca 0.18 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3fg9 h ALA 142 Cb 0.39 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fg9 h ALA 142 CO 0.01 0.09 -0.65 -0.09 0.00 0.00 0.00 179.25 178.60 3fg9 h ARG 143 N 0.73 0.55 0.00 0.00 2.43 -0.86 -3.40 114.38 113.83 3fg9 h ARG 143 Ca 0.36 -0.51 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 3fg9 h ARG 143 Cb 0.42 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3fg9 h ARG 143 CO -0.14 1.14 -2.15 1.63 -1.51 0.00 0.00 179.97 178.95 3fg9 n LYS 144 N -4.13 0.67 -2.54 0.20 5.02 -0.62 -4.98 118.16 111.77 3fg9 n LYS 144 Ca -0.09 -0.12 -0.34 0.00 -2.02 0.00 0.00 58.31 55.74 3fg9 n LYS 144 Cb 0.68 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 3fg9 n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fg9 s ALA 145 N -3.12 2.88 -2.02 7.82 0.00 0.04 -4.95 121.76 122.42 3fg9 s ALA 145 Ca -0.09 0.57 0.11 0.00 0.00 0.00 0.00 51.96 52.55 3fg9 s ALA 145 Cb 0.11 -3.24 0.34 0.00 0.00 0.00 0.00 23.12 20.33 3fg9 s ALA 145 CO 0.88 -0.29 1.28 -0.35 0.00 0.00 0.00 175.76 177.27 3fg9 n PRO 146 N -1.00 1.76 -4.58 0.00 -0.04 -1.26 -4.87 135.00 125.02 3fg9 n PRO 146 Ca 0.09 -1.18 -0.27 0.00 -0.04 0.00 0.00 63.50 62.10 3fg9 n PRO 146 Cb 0.53 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.62 3fg9 n PRO 146 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3fg9 s ILE 147 N -1.58 1.32 0.47 0.52 -4.36 -1.26 -5.13 121.20 111.19 3fg9 s ILE 147 Ca 0.23 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.39 3fg9 s ILE 147 Cb 0.12 -2.64 -0.07 0.00 1.25 0.00 0.00 42.46 41.12 3fg9 s ILE 147 CO 0.16 0.00 1.29 -0.44 0.24 0.00 0.00 174.94 176.19 3fg9 s SER 148 N -3.66 5.91 -0.04 4.36 0.01 -1.20 -4.92 113.70 114.16 3fg9 s SER 148 Ca 0.27 2.60 -0.00 0.00 1.31 0.00 0.00 55.95 60.13 3fg9 s SER 148 Cb 0.06 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.69 3fg9 s SER 148 CO 0.13 -1.12 0.01 -0.69 0.41 0.00 0.00 173.24 171.98 3fg9 s VAL 149 N -1.36 0.21 -0.14 3.43 1.01 -1.26 -1.35 120.40 120.94 3fg9 s VAL 149 Ca 0.64 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 3fg9 s VAL 149 Cb -0.36 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3fg9 s VAL 149 CO 0.45 0.18 -0.09 -0.51 0.00 0.00 0.00 175.10 175.13 3fg9 s ILE 150 N 1.39 3.41 -0.35 2.22 2.07 -0.11 -4.92 121.20 124.91 3fg9 s ILE 150 Ca -0.05 -0.53 -0.10 0.00 -1.41 0.00 0.00 60.65 58.56 3fg9 s ILE 150 Cb -0.13 -2.46 0.02 0.00 0.13 0.00 0.00 42.46 40.02 3fg9 s ILE 150 CO -0.03 0.51 0.18 -0.69 -1.91 0.00 0.00 174.94 173.01 3fg9 s VAL 151 N 0.33 4.50 -0.12 4.00 1.01 -1.26 -1.67 120.40 127.20 3fg9 s VAL 151 Ca -0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 3fg9 s VAL 151 Cb -0.15 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3fg9 s VAL 151 CO 0.05 -0.13 0.28 -0.69 0.00 0.00 0.00 175.10 174.61 3fg9 s VAL 152 N 1.56 5.29 0.00 2.92 1.01 -0.13 -4.80 120.40 126.24 3fg9 s VAL 152 Ca 0.03 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3fg9 s VAL 152 Cb -0.18 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3fg9 s VAL 152 CO 0.06 0.48 0.49 0.54 0.00 0.00 0.00 175.10 176.67