#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6n n GLU 2 N 0.00 0.00 -0.08 -0.41 1.02 -1.26 -4.88 120.64 115.03 1r6n n GLU 2 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1r6n n GLU 2 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 1r6n n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r6n n ALA 3 N -1.64 2.59 -0.29 0.62 0.00 -1.26 -4.14 120.51 116.39 1r6n n ALA 3 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.27 1r6n n ALA 3 Cb 0.00 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 18.61 1r6n n ALA 3 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1r6n h ILE 4 N 0.50 0.92 -0.21 0.00 6.09 -1.98 0.23 117.51 123.07 1r6n h ILE 4 Ca 0.00 -0.28 -0.12 0.00 -1.37 0.00 0.00 64.86 63.09 1r6n h ILE 4 Cb 0.44 0.04 -0.00 0.00 0.47 0.00 0.00 36.82 37.77 1r6n h ILE 4 CO 0.03 0.15 -0.35 0.00 -3.07 0.00 0.00 178.15 174.91 1r6n h ALA 5 N 1.45 0.32 -0.27 0.18 0.00 -1.99 -0.15 119.26 118.79 1r6n h ALA 5 Ca 0.40 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1r6n h ALA 5 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1r6n h ALA 5 CO -0.24 0.38 0.05 -0.22 0.00 0.00 0.00 179.25 179.22 1r6n h LYS 6 N 0.29 0.40 0.02 0.00 3.64 -1.75 -0.70 116.57 118.47 1r6n h LYS 6 Ca 0.02 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.13 1r6n h LYS 6 Cb 0.94 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1r6n h LYS 6 CO 0.08 0.39 -0.95 0.00 -2.27 0.00 0.00 179.45 176.70 1r6n h ARG 7 N 0.39 0.15 -0.09 1.90 -0.00 -0.81 -3.03 114.38 112.89 1r6n h ARG 7 Ca 0.09 -0.18 -0.22 0.00 -0.50 0.00 0.00 59.98 59.17 1r6n h ARG 7 Cb 0.19 0.06 0.01 0.00 0.00 0.00 0.00 29.97 30.22 1r6n h ARG 7 CO -0.00 0.98 -0.82 1.25 0.00 0.00 0.00 179.97 181.39 1r6n h LEU 8 N 0.07 0.74 -1.10 3.04 5.85 -0.37 -2.46 115.31 121.08 1r6n h LEU 8 Ca -0.05 -0.51 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 1r6n h LEU 8 Cb 1.61 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1r6n h LEU 8 CO 0.14 1.29 -0.40 -0.78 -0.34 0.00 0.00 178.44 178.36 1r6n h ASP 9 N 0.40 0.00 0.59 1.25 3.58 -1.22 -0.67 116.42 120.34 1r6n h ASP 9 Ca -0.06 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.22 1r6n h ASP 9 Cb 1.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.47 1r6n h ASP 9 CO 0.16 0.40 -0.77 0.00 -2.88 0.00 0.00 179.24 176.14 1r6n h ALA 10 N 1.60 0.68 -0.01 -0.78 0.00 -1.48 -0.88 119.26 118.39 1r6n h ALA 10 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 1r6n h ALA 10 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1r6n h ALA 10 CO 0.05 0.88 -0.06 0.00 0.00 0.00 0.00 179.25 180.12 1r6n h GLN 12 N -0.58 0.00 -0.35 0.00 4.20 -1.18 0.31 115.11 117.51 1r6n h GLN 12 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1r6n h GLN 12 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1r6n h GLN 12 CO 0.01 0.33 -0.30 0.22 -0.67 0.00 0.00 178.83 178.42 1r6n h ASP 13 N 0.00 0.76 -0.53 1.46 3.58 -1.18 -1.84 116.42 118.68 1r6n h ASP 13 Ca -0.00 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.02 1r6n h ASP 13 Cb 0.59 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1r6n h ASP 13 CO 0.04 1.01 -0.15 -0.61 -2.88 0.00 0.00 179.24 176.65 1r6n h GLN 14 N 0.63 1.03 -0.47 0.28 5.75 -0.61 -1.58 115.11 120.13 1r6n h GLN 14 Ca 0.07 -0.41 -0.01 0.00 -0.15 0.00 0.00 58.65 58.16 1r6n h GLN 14 Cb 0.81 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1r6n h GLN 14 CO 0.07 1.10 0.26 -0.07 -2.65 0.00 0.00 178.83 177.54 1r6n h LEU 15 N 0.90 0.59 -0.93 -2.39 3.38 -0.80 0.42 115.31 116.48 1r6n h LEU 15 Ca 0.13 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1r6n h LEU 15 Cb 0.73 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1r6n h LEU 15 CO 0.06 0.51 0.61 0.25 0.09 0.00 0.00 178.44 179.96 1r6n h LEU 16 N 0.62 1.07 -0.58 1.67 5.85 -1.15 0.45 115.31 123.25 1r6n h LEU 16 Ca 0.17 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1r6n h LEU 16 Cb 0.05 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1r6n h LEU 16 CO -0.03 0.78 0.37 -0.08 -0.34 0.00 0.00 178.44 179.14 1r6n h GLU 17 N 1.27 0.78 -0.56 1.25 4.57 -0.58 -0.66 114.58 120.63 1r6n h GLU 17 Ca 0.34 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.37 1r6n h GLU 17 Cb -0.14 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.26 1r6n h GLU 17 CO -0.07 0.54 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.21 1r6n h LEU 18 N 0.79 0.96 -0.19 1.64 3.38 0.01 -2.22 115.31 119.68 1r6n h LEU 18 Ca 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1r6n h LEU 18 Cb -0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1r6n h LEU 18 CO -0.04 1.02 0.09 0.22 0.09 0.00 0.00 178.44 179.82 1r6n h TYR 19 N 0.90 0.28 -0.31 1.13 3.20 -0.54 -2.98 116.97 118.63 1r6n h TYR 19 Ca 0.16 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1r6n h TYR 19 Cb 0.54 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1r6n h TYR 19 CO 0.04 0.29 0.16 0.93 -1.64 0.00 0.00 178.16 177.93 1r6n h GLU 20 N 0.18 0.43 -0.90 1.82 5.08 -0.96 -2.93 114.58 117.30 1r6n h GLU 20 Ca 0.07 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1r6n h GLU 20 Cb 0.12 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1r6n h GLU 20 CO -0.01 0.33 0.58 1.49 -1.00 0.00 0.00 179.01 180.40 1r6n h GLU 21 N 0.43 0.56 -6.46 2.33 4.81 -1.24 -3.46 114.58 111.56 1r6n h GLU 21 Ca 0.11 -0.03 -0.49 0.00 -0.13 0.00 0.00 59.36 58.82 1r6n h GLU 21 Cb 0.03 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1r6n h GLU 21 CO -0.02 0.37 -0.89 -1.71 -0.73 0.00 0.00 179.01 176.03 1r6n n ASN 22 N -4.56 -0.85 -4.86 1.04 5.15 -1.11 -4.94 115.26 105.13 1r6n n ASN 22 Ca 0.19 -1.00 -0.31 0.00 -0.60 0.00 0.00 54.58 52.85 1r6n n ASN 22 Cb 0.57 -3.11 -0.00 0.00 -0.53 0.00 0.00 39.78 36.71 1r6n n ASN 22 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1r6n s SER 23 N -4.28 6.35 -0.10 1.20 0.15 -1.26 -4.99 113.70 110.78 1r6n s SER 23 Ca 0.05 1.46 0.14 0.00 0.70 0.00 0.00 55.95 58.30 1r6n s SER 23 Cb -0.02 -2.48 0.30 0.00 -1.71 0.00 0.00 66.02 62.11 1r6n s SER 23 CO 0.88 -0.78 1.20 2.30 1.20 0.00 0.00 173.24 178.05 1r6n n ILE 24 N -2.37 1.72 -3.38 6.45 -5.35 -1.26 -4.02 119.36 111.15 1r6n n ILE 24 Ca 0.06 -1.78 -0.43 0.00 -0.27 0.00 0.00 62.75 60.34 1r6n n ILE 24 Cb 0.54 -0.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.33 1r6n n ILE 24 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1r6n s ASP 25 N -2.05 6.17 0.52 7.28 2.15 -1.24 -1.15 116.67 128.34 1r6n s ASP 25 Ca 0.27 -0.65 0.32 0.00 0.43 0.00 0.00 52.55 52.92 1r6n s ASP 25 Cb 0.22 -2.20 1.46 0.00 -0.30 0.00 0.00 42.92 42.10 1r6n s ASP 25 CO 0.05 -0.50 1.84 -0.29 -0.17 0.00 0.00 175.17 176.11 1r6n h ILE 26 N 5.66 0.49 -0.03 4.11 2.10 -1.82 -0.23 117.51 127.80 1r6n h ILE 26 Ca -0.27 -0.02 -0.09 0.00 1.08 0.00 0.00 64.86 65.56 1r6n h ILE 26 Cb 1.12 0.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.26 1r6n h ILE 26 CO 0.76 0.01 -0.41 0.45 -1.08 0.00 0.00 178.15 177.87 1r6n h HIS 27 N 0.06 0.06 -0.14 2.19 3.86 -1.92 -2.06 115.15 117.19 1r6n h HIS 27 Ca 0.51 -0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.55 1r6n h HIS 27 Cb 1.91 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.36 1r6n h HIS 27 CO -0.00 0.46 -0.55 0.87 0.86 0.00 0.00 177.93 179.57 1r6n h LYS 28 N 0.05 0.42 -0.21 2.45 1.79 -1.46 -2.35 116.57 117.26 1r6n h LYS 28 Ca 0.00 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 58.08 1r6n h LYS 28 Cb 0.75 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1r6n h LYS 28 CO 0.06 0.86 -0.39 0.45 -1.08 0.00 0.00 179.45 179.35 1r6n h HIS 29 N 0.33 0.56 -0.47 -1.35 3.86 -1.39 0.14 115.15 116.83 1r6n h HIS 29 Ca 0.01 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 1r6n h HIS 29 Cb 1.06 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 1r6n h HIS 29 CO 0.03 0.80 0.03 0.82 0.86 0.00 0.00 177.93 180.47 1r6n h ILE 30 N 0.40 1.26 -0.18 2.45 2.04 -1.27 -0.75 117.51 121.45 1r6n h ILE 30 Ca 0.04 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1r6n h ILE 30 Cb 0.86 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1r6n h ILE 30 CO 0.07 0.35 -0.19 -0.03 0.00 0.00 0.00 178.15 178.35 1r6n h MET 31 N 0.67 0.31 -0.45 2.37 4.05 -1.06 -1.47 114.93 119.34 1r6n h MET 31 Ca 0.14 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1r6n h MET 31 Cb 0.46 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 1r6n h MET 31 CO 0.02 0.50 0.05 1.25 0.23 0.00 0.00 176.91 178.95 1r6n h HIS 32 N 0.28 0.81 -0.22 1.39 6.17 -0.10 -1.99 115.15 121.50 1r6n h HIS 32 Ca 0.05 -0.12 -0.06 0.00 0.71 0.00 0.00 60.37 60.95 1r6n h HIS 32 Cb 0.51 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.20 1r6n h HIS 32 CO 0.01 0.78 -0.13 -1.49 0.71 0.00 0.00 177.93 177.80 1r6n h TRP 33 N 0.61 0.38 -0.73 5.26 4.06 -0.64 -2.09 115.95 122.79 1r6n h TRP 33 Ca 0.13 -0.05 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 1r6n h TRP 33 Cb 0.42 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 1r6n h TRP 33 CO 0.03 0.49 0.21 0.87 -3.56 0.00 0.00 178.44 176.48 1r6n h LYS 34 N 0.34 1.15 0.00 0.49 1.57 -0.88 -2.30 116.57 116.93 1r6n h LYS 34 Ca 0.07 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1r6n h LYS 34 Cb 0.44 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1r6n h LYS 34 CO 0.03 0.99 -0.36 0.00 -0.57 0.00 0.00 179.45 179.53 1r6n h ILE 36 N 0.00 1.26 -0.41 0.00 1.08 -0.86 -0.60 117.51 117.99 1r6n h ILE 36 Ca -0.00 -1.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.18 1r6n h ILE 36 Cb 0.68 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1r6n h ILE 36 CO 0.05 0.42 0.06 0.03 -0.69 0.00 0.00 178.15 178.01 1r6n h ARG 37 N 0.68 0.67 -0.05 2.37 3.08 -0.88 -2.04 114.38 118.21 1r6n h ARG 37 Ca 0.11 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1r6n h ARG 37 Cb 0.65 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1r6n h ARG 37 CO 0.05 0.72 -0.02 1.25 -1.07 0.00 0.00 179.97 180.90 1r6n h LEU 38 N 0.52 -0.07 -0.36 3.04 5.85 -0.93 0.88 115.31 124.25 1r6n h LEU 38 Ca 0.12 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1r6n h LEU 38 Cb 0.38 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1r6n h LEU 38 CO 0.01 -0.03 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.99 1r6n h GLU 39 N -0.01 0.08 0.00 1.25 4.81 -0.99 -0.93 114.58 118.79 1r6n h GLU 39 Ca 0.03 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1r6n h GLU 39 Cb 0.05 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1r6n h GLU 39 CO -0.06 0.05 -0.33 0.66 -0.73 0.00 0.00 179.01 178.60 1r6n h SER 40 N 0.08 0.00 -0.44 1.04 4.64 -1.12 0.41 113.55 118.16 1r6n h SER 40 Ca 0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1r6n h SER 40 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1r6n h SER 40 CO -0.30 0.33 -0.25 0.58 -0.87 0.00 0.00 176.83 176.32 1r6n h VAL 41 N 0.00 1.27 -0.23 0.95 2.07 0.21 -0.54 116.25 119.99 1r6n h VAL 41 Ca -0.00 -1.41 -0.19 0.00 0.82 0.00 0.00 66.70 65.91 1r6n h VAL 41 Cb 0.72 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1r6n h VAL 41 CO 0.04 0.48 -0.63 -0.07 0.02 0.00 0.00 177.57 177.42 1r6n h LEU 42 N 0.78 0.90 -0.48 2.57 3.38 -0.73 -1.34 115.31 120.39 1r6n h LEU 42 Ca 0.09 -0.52 -0.16 0.00 0.09 0.00 0.00 57.88 57.39 1r6n h LEU 42 Cb 0.83 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1r6n h LEU 42 CO 0.07 1.30 -0.47 -0.07 0.09 0.00 0.00 178.44 179.37 1r6n h LEU 43 N 0.58 0.78 -0.73 1.67 3.38 -0.92 0.19 115.31 120.26 1r6n h LEU 43 Ca -0.01 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1r6n h LEU 43 Cb 1.23 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1r6n h LEU 43 CO 0.13 1.13 0.32 -0.74 0.09 0.00 0.00 178.44 179.37 1r6n h HIS 44 N 0.58 1.09 -0.12 1.13 2.76 -1.05 -1.56 115.15 117.97 1r6n h HIS 44 Ca 0.03 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1r6n h HIS 44 Cb 1.03 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.65 1r6n h HIS 44 CO 0.05 0.82 0.01 -0.22 -1.30 0.00 0.00 177.93 177.29 1r6n h LYS 45 N 1.04 0.21 -0.70 5.26 1.63 -1.03 -2.87 116.57 120.11 1r6n h LYS 45 Ca 0.25 -0.06 0.14 0.00 -0.85 0.00 0.00 60.65 60.13 1r6n h LYS 45 Cb 0.17 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 1r6n h LYS 45 CO -0.03 0.42 0.47 0.00 -3.45 0.00 0.00 179.45 176.86 1r6n h ALA 46 N 0.78 2.12 -0.02 5.00 0.00 -0.61 0.46 119.26 127.00 1r6n h ALA 46 Ca 0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1r6n h ALA 46 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r6n h ALA 46 CO 0.00 -0.31 -0.67 -0.22 0.00 0.00 0.00 179.25 178.06 1r6n h LYS 47 N 0.38 0.08 -0.18 0.00 1.63 -1.12 -2.18 116.57 115.17 1r6n h LYS 47 Ca 0.34 -0.06 -0.16 0.00 -0.85 0.00 0.00 60.65 59.91 1r6n h LYS 47 Cb 0.79 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1r6n h LYS 47 CO -0.10 0.72 -0.56 1.96 -3.45 0.00 0.00 179.45 178.02 1r6n h GLN 48 N 0.06 0.57 0.00 1.90 4.20 -0.72 -2.38 115.11 118.72 1r6n h GLN 48 Ca -0.01 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1r6n h GLN 48 Cb 1.19 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1r6n h GLN 48 CO 0.09 0.97 0.00 -1.33 -0.67 0.00 0.00 178.83 177.90 1r6n n MET 49 N -3.95 0.63 -0.59 1.46 2.81 -0.72 -4.84 117.12 111.92 1r6n n MET 49 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1r6n n MET 49 Cb 0.61 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1r6n n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r6n n GLY 50 N 0.20 1.35 3.75 3.03 0.00 -0.90 -5.03 105.19 107.59 1r6n n GLY 50 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1r6n n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r6n s LEU 51 N 0.00 3.86 -0.07 0.99 1.43 -0.83 -4.96 118.68 119.10 1r6n s LEU 51 Ca 0.00 2.67 0.08 0.00 -1.03 0.00 0.00 54.13 55.85 1r6n s LEU 51 Cb 0.00 -4.29 -0.11 0.00 0.03 0.00 0.00 46.19 41.82 1r6n s LEU 51 CO 0.00 -1.48 0.05 -1.20 0.23 0.00 0.00 176.35 173.95 1r6n n SER 52 N -1.00 2.94 -3.90 2.29 7.64 -1.26 -4.52 113.62 115.81 1r6n n SER 52 Ca 0.10 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.89 1r6n n SER 52 Cb 0.46 0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 64.38 1r6n n SER 52 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1r6n s HIS 53 N -2.26 0.18 -0.36 1.43 3.76 -1.26 -1.65 115.29 115.13 1r6n s HIS 53 Ca -0.04 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1r6n s HIS 53 Cb 0.03 -0.11 0.15 0.00 1.11 0.00 0.00 32.58 33.76 1r6n s HIS 53 CO 0.35 -0.46 0.28 0.42 -0.85 0.00 0.00 174.74 174.48 1r6n s ILE 54 N -3.27 -0.03 -0.93 0.60 1.01 -0.10 -4.91 121.20 113.57 1r6n s ILE 54 Ca 0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 60.65 59.10 1r6n s ILE 54 Cb 0.02 -0.95 -0.06 0.00 0.01 0.00 0.00 42.46 41.48 1r6n s ILE 54 CO -0.08 -0.85 0.81 0.61 0.00 0.00 0.00 174.94 175.43 1r6n n GLY 55 N 4.03 -0.92 3.90 6.18 0.00 -1.26 -2.98 105.19 114.14 1r6n n GLY 55 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1r6n n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r6n n LEU 56 N -3.04 0.00 -4.74 0.99 7.94 -1.26 -4.98 117.00 111.91 1r6n n LEU 56 Ca -0.06 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.43 1r6n n LEU 56 Cb 0.61 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.51 1r6n n LEU 56 CO 0.52 0.00 0.70 -1.58 -1.11 0.00 0.00 177.39 175.92 1r6n s GLN 57 N -0.01 4.73 -0.15 1.96 0.74 -1.16 -5.03 119.66 120.74 1r6n s GLN 57 Ca 0.00 1.54 -0.21 0.00 0.05 0.00 0.00 55.36 56.74 1r6n s GLN 57 Cb 0.00 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 1r6n s GLN 57 CO 0.00 0.28 0.64 0.08 -0.55 0.00 0.00 175.29 175.74 1r6n s VAL 58 N -0.51 5.05 -0.09 1.34 1.01 -1.26 -0.93 120.40 125.00 1r6n s VAL 58 Ca 0.45 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 1r6n s VAL 58 Cb -0.26 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1r6n s VAL 58 CO 0.32 0.18 1.37 -0.69 0.00 0.00 0.00 175.10 176.28 1r6n s VAL 59 N 1.42 4.00 0.76 2.92 1.01 -0.66 -4.97 120.40 124.90 1r6n s VAL 59 Ca 0.31 1.27 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 1r6n s VAL 59 Cb -0.16 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.45 1r6n s VAL 59 CO 0.12 -0.08 1.08 -2.84 0.00 0.00 0.00 175.10 173.39 1r6n s PRO 60 N 3.23 2.36 0.67 2.72 0.02 -1.26 -4.94 135.00 137.80 1r6n s PRO 60 Ca 0.61 1.10 -0.16 0.00 0.02 0.00 0.00 61.00 62.56 1r6n s PRO 60 Cb -0.27 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1r6n s PRO 60 CO 0.21 -1.55 1.20 -2.14 -0.33 0.00 0.00 177.00 174.39 1r6n s PRO 61 N -4.94 2.51 0.29 5.54 0.02 -1.26 -4.83 135.00 132.32 1r6n s PRO 61 Ca 0.61 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.41 1r6n s PRO 61 Cb -0.16 -1.88 0.59 0.00 0.02 0.00 0.00 34.50 33.07 1r6n s PRO 61 CO 0.56 -1.55 1.83 -0.07 -0.33 0.00 0.00 177.00 177.43 1r6n h LEU 62 N 0.17 0.91 -1.77 -5.54 3.38 -1.95 -0.93 115.31 109.59 1r6n h LEU 62 Ca -0.49 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1r6n h LEU 62 Cb 1.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1r6n h LEU 62 CO 0.52 0.46 0.05 0.00 0.09 0.00 0.00 178.44 179.56 1r6n h THR 63 N 0.96 1.06 -0.05 0.22 1.03 -1.98 0.53 112.91 114.68 1r6n h THR 63 Ca 0.51 -0.20 -0.05 0.00 -0.01 0.00 0.00 66.41 66.66 1r6n h THR 63 Cb 0.56 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1r6n h THR 63 CO -0.29 0.08 -0.17 0.58 -0.01 0.00 0.00 175.52 175.72 1r6n h VAL 64 N 0.20 1.44 -0.63 0.00 2.07 -1.52 -1.47 116.25 116.35 1r6n h VAL 64 Ca 0.05 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1r6n h VAL 64 Cb 0.05 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1r6n h VAL 64 CO -0.01 0.43 0.18 0.28 0.02 0.00 0.00 177.57 178.48 1r6n h SER 65 N -0.32 0.90 -0.69 0.57 0.02 -1.27 -1.04 113.55 111.71 1r6n h SER 65 Ca -0.01 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1r6n h SER 65 Cb 0.79 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1r6n h SER 65 CO 0.04 0.85 0.22 -0.33 -1.14 0.00 0.00 176.83 176.46 1r6n h GLU 66 N 0.93 1.09 -0.35 3.45 5.08 -0.89 -0.34 114.58 123.55 1r6n h GLU 66 Ca 0.20 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1r6n h GLU 66 Cb 0.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1r6n h GLU 66 CO -0.01 0.93 -0.28 1.15 -1.00 0.00 0.00 179.01 179.80 1r6n h THR 67 N 1.05 1.29 -0.23 1.13 2.02 -0.69 -1.80 112.91 115.67 1r6n h THR 67 Ca 0.23 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 65.91 1r6n h THR 67 Cb 0.30 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1r6n h THR 67 CO -0.01 0.47 -0.09 0.11 0.37 0.00 0.00 175.52 176.37 1r6n h LYS 68 N 0.60 0.47 -0.87 6.66 1.57 -1.09 -1.31 116.57 122.60 1r6n h LYS 68 Ca 0.06 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1r6n h LYS 68 Cb 0.86 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 1r6n h LYS 68 CO 0.07 0.73 0.56 0.78 -0.57 0.00 0.00 179.45 181.03 1r6n h GLY 69 N 0.19 1.24 0.73 3.86 0.00 -1.04 0.56 103.07 108.60 1r6n h GLY 69 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1r6n h GLY 69 CO 0.03 0.26 -0.03 0.84 0.00 0.00 0.00 176.54 177.63 1r6n h HIS 70 N 0.93 0.26 -0.82 5.60 -0.00 -1.14 -2.26 115.15 117.72 1r6n h HIS 70 Ca 0.38 -0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1r6n h HIS 70 Cb 0.28 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 1r6n h HIS 70 CO -0.00 0.54 0.35 -0.91 -0.00 0.00 0.00 177.93 177.91 1r6n h ASN 71 N -0.10 1.10 -0.81 3.26 2.35 -0.66 -1.97 115.58 118.76 1r6n h ASN 71 Ca 0.03 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1r6n h ASN 71 Cb 0.46 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1r6n h ASN 71 CO 0.01 0.96 0.50 0.00 -1.65 0.00 0.00 177.43 177.25 1r6n h ALA 72 N 1.20 1.34 -0.30 -0.83 0.00 -0.87 -0.40 119.26 119.41 1r6n h ALA 72 Ca 0.28 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1r6n h ALA 72 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1r6n h ALA 72 CO -0.03 0.57 -0.07 0.82 0.00 0.00 0.00 179.25 180.55 1r6n h ILE 73 N 1.12 1.28 -0.06 0.00 2.04 -0.91 -0.24 117.51 120.74 1r6n h ILE 73 Ca 0.29 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1r6n h ILE 73 Cb -0.06 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1r6n h ILE 73 CO -0.06 0.35 -0.03 -0.08 0.00 0.00 0.00 178.15 178.33 1r6n h GLU 74 N 0.33 -0.03 0.26 2.37 4.81 -0.95 -0.09 114.58 121.27 1r6n h GLU 74 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1r6n h GLU 74 Cb 0.55 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1r6n h GLU 74 CO 0.03 -0.02 -0.19 0.52 -0.73 0.00 0.00 179.01 178.62 1r6n h MET 75 N -0.03 -0.43 -0.59 1.92 2.86 -1.01 -1.82 114.93 115.83 1r6n h MET 75 Ca 0.03 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.81 1r6n h MET 75 Cb 0.08 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.76 1r6n h MET 75 CO -0.08 -0.29 0.12 0.37 1.06 0.00 0.00 176.91 178.10 1r6n h GLN 76 N -0.45 0.25 -0.56 1.72 4.15 -0.89 -0.88 115.11 118.46 1r6n h GLN 76 Ca -0.02 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1r6n h GLN 76 Cb 0.39 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1r6n h GLN 76 CO 0.00 0.16 0.20 0.52 -1.93 0.00 0.00 178.83 177.78 1r6n h MET 77 N 0.25 0.85 -0.21 1.69 2.86 -0.75 -1.28 114.93 118.34 1r6n h MET 77 Ca 0.31 -0.17 -0.16 0.00 -2.06 0.00 0.00 59.70 57.62 1r6n h MET 77 Cb 0.45 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1r6n h MET 77 CO -0.39 0.75 -0.51 0.45 1.06 0.00 0.00 176.91 178.27 1r6n h HIS 78 N 0.77 0.73 -0.32 -0.22 3.86 -0.99 -2.04 115.15 116.94 1r6n h HIS 78 Ca 0.18 -0.25 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 1r6n h HIS 78 Cb 0.24 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1r6n h HIS 78 CO 0.01 0.98 0.02 -0.07 0.86 0.00 0.00 177.93 179.73 1r6n h LEU 79 N 0.46 0.54 -1.00 2.43 3.38 -1.04 -0.03 115.31 120.05 1r6n h LEU 79 Ca 0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1r6n h LEU 79 Cb 1.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1r6n h LEU 79 CO 0.10 0.70 0.37 -0.33 0.09 0.00 0.00 178.44 179.37 1r6n h GLU 80 N 0.36 1.08 0.00 1.13 5.08 -1.21 0.39 114.58 121.42 1r6n h GLU 80 Ca 0.09 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1r6n h GLU 80 Cb 0.41 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1r6n h GLU 80 CO 0.01 0.82 -0.00 1.03 -1.00 0.00 0.00 179.01 179.88 1r6n h SER 81 N 1.08 -0.00 -0.04 1.42 0.87 -1.08 -2.19 113.55 113.61 1r6n h SER 81 Ca 0.26 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1r6n h SER 81 Cb 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1r6n h SER 81 CO -0.04 0.11 -0.03 0.25 -0.53 0.00 0.00 176.83 176.59 1r6n h LEU 82 N -0.12 0.16 -2.23 2.23 5.85 -0.43 -1.89 115.31 118.88 1r6n h LEU 82 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1r6n h LEU 82 Cb 0.12 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1r6n h LEU 82 CO 0.00 0.23 -0.05 0.00 -0.34 0.00 0.00 178.44 178.28 1r6n h ALA 83 N 1.80 1.17 -0.19 1.25 0.00 0.39 -2.38 119.26 121.29 1r6n h ALA 83 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1r6n h ALA 83 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1r6n h ALA 83 CO 0.01 0.06 0.04 1.63 0.00 0.00 0.00 179.25 180.99 1r6n n LYS 84 N -3.39 1.94 -4.42 0.00 5.02 -0.71 -4.62 118.16 111.99 1r6n n LYS 84 Ca -0.02 -0.90 -0.22 0.00 -2.02 0.00 0.00 58.31 55.16 1r6n n LYS 84 Cb 0.18 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 1r6n n LYS 84 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r6n s THR 85 N -1.37 0.56 -0.45 -0.18 -4.23 -0.90 -5.01 115.64 104.06 1r6n s THR 85 Ca 0.16 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.85 1r6n s THR 85 Cb 0.12 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.64 1r6n s THR 85 CO 0.04 0.00 1.55 0.00 -0.54 0.00 0.00 174.62 175.68 1r6n n GLN 86 N -0.71 0.12 0.06 3.99 10.64 -1.26 -1.74 117.38 128.47 1r6n n GLN 86 Ca -0.02 0.54 -0.02 0.00 -1.83 0.00 0.00 57.00 55.67 1r6n n GLN 86 Cb 0.65 -1.84 -0.07 0.00 -0.86 0.00 0.00 30.24 28.13 1r6n n GLN 86 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 1r6n h TYR 87 N 0.00 0.00 0.00 2.61 0.05 -1.94 -3.36 116.97 114.33 1r6n h TYR 87 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1r6n h TYR 87 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1r6n h TYR 87 CO 0.00 0.68 0.00 0.78 -1.05 0.00 0.00 178.16 178.57 1r6n h GLY 88 N 3.51 0.00 0.25 3.88 0.00 -1.38 -1.77 103.07 107.56 1r6n h GLY 88 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1r6n h GLY 88 CO 0.07 0.00 -0.35 3.33 0.00 0.00 0.00 176.54 179.59 1r6n n VAL 89 N -2.62 0.00 -1.21 4.60 0.24 -1.26 -4.63 118.33 113.45 1r6n n VAL 89 Ca -0.02 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.34 61.87 1r6n n VAL 89 Cb 0.09 0.47 0.13 0.00 -1.47 0.00 0.00 33.84 33.06 1r6n n VAL 89 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1r6n s GLU 90 N -2.61 1.35 0.13 7.34 2.02 -0.67 -4.95 118.70 121.30 1r6n s GLU 90 Ca 0.21 0.85 -0.30 0.00 0.02 0.00 0.00 54.97 55.75 1r6n s GLU 90 Cb 0.19 -1.82 -0.07 0.00 0.10 0.00 0.00 34.13 32.53 1r6n s GLU 90 CO 0.57 -2.19 1.10 -1.25 0.02 0.00 0.00 175.26 173.52 1r6n s PRO 91 N -4.93 4.56 -0.14 0.39 0.04 -1.26 -4.74 135.00 128.92 1r6n s PRO 91 Ca 0.63 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 63.36 1r6n s PRO 91 Cb -0.18 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.08 1r6n s PRO 91 CO 0.57 -0.00 -0.08 -1.58 0.04 0.00 0.00 177.00 175.95 1r6n s TRP 92 N 0.17 1.69 0.59 0.56 0.52 -0.30 -5.04 118.94 117.13 1r6n s TRP 92 Ca 0.52 -0.97 -0.06 0.00 0.02 0.00 0.00 56.10 55.61 1r6n s TRP 92 Cb -0.28 -1.33 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1r6n s TRP 92 CO 0.33 -0.58 0.90 0.95 0.02 0.00 0.00 176.95 178.56 1r6n s THR 93 N 1.64 3.65 0.39 2.01 -4.23 -1.26 -3.68 115.64 114.16 1r6n s THR 93 Ca 0.03 -0.01 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1r6n s THR 93 Cb -0.14 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.54 1r6n s THR 93 CO -0.08 -0.46 1.99 0.25 -0.54 0.00 0.00 174.62 175.78 1r6n h LEU 94 N -0.17 0.57 -0.17 4.79 6.46 -1.95 -2.06 115.31 122.78 1r6n h LEU 94 Ca -0.45 -0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.14 1r6n h LEU 94 Cb 1.26 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1r6n h LEU 94 CO 0.61 0.38 -0.52 -0.61 -0.62 0.00 0.00 178.44 177.67 1r6n h GLN 95 N 0.65 0.65 0.00 1.25 4.15 -1.95 -2.97 115.11 116.90 1r6n h GLN 95 Ca 0.26 -0.48 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1r6n h GLN 95 Cb 0.20 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 1r6n h GLN 95 CO -0.08 1.10 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.47 1r6n h ASP 96 N 0.33 0.00 -0.33 -0.69 3.32 -1.73 -2.68 116.42 114.64 1r6n h ASP 96 Ca -0.02 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 1r6n h ASP 96 Cb 1.15 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.62 1r6n h ASP 96 CO 0.11 0.01 -0.04 0.35 -1.72 0.00 0.00 179.24 177.96 1r6n n THR 97 N -3.90 2.47 -2.76 0.35 -2.24 -0.95 -4.70 114.28 102.55 1r6n n THR 97 Ca -0.03 -2.46 -0.26 0.00 -2.27 0.00 0.00 64.05 59.02 1r6n n THR 97 Cb 0.09 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1r6n n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1r6n s SER 98 N -2.35 6.20 0.24 3.42 1.04 -1.01 -4.98 113.70 116.26 1r6n s SER 98 Ca 0.44 0.80 0.03 0.00 0.48 0.00 0.00 55.95 57.70 1r6n s SER 98 Cb 0.38 -2.14 0.25 0.00 0.10 0.00 0.00 66.02 64.62 1r6n s SER 98 CO 0.03 -0.57 1.57 0.22 0.98 0.00 0.00 173.24 175.47 1r6n h TYR 99 N 0.29 0.37 -0.39 5.02 3.20 -1.92 -2.31 116.97 121.24 1r6n h TYR 99 Ca -0.47 -0.13 0.06 0.00 3.14 0.00 0.00 58.73 61.33 1r6n h TYR 99 Cb 1.21 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 1r6n h TYR 99 CO 0.56 0.79 0.06 1.49 -1.64 0.00 0.00 178.16 179.42 1r6n h GLU 100 N 0.23 0.18 -0.10 1.82 4.57 -1.93 -1.51 114.58 117.83 1r6n h GLU 100 Ca 0.00 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 1r6n h GLU 100 Cb 1.06 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1r6n h GLU 100 CO 0.09 0.12 -0.58 1.98 -1.18 0.00 0.00 179.01 179.44 1r6n h MET 101 N 0.18 0.31 -0.77 1.92 4.05 -1.78 -2.98 114.93 115.87 1r6n h MET 101 Ca 0.19 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1r6n h MET 101 Cb 0.23 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.00 1r6n h MET 101 CO -0.26 0.80 0.46 2.35 0.23 0.00 0.00 176.91 180.49 1r6n h TRP 102 N 0.24 0.85 -0.00 1.39 2.91 -0.77 -1.54 115.95 119.03 1r6n h TRP 102 Ca -0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1r6n h TRP 102 Cb 1.08 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1r6n h TRP 102 CO 0.03 0.43 -0.10 1.28 -1.03 0.00 0.00 178.44 179.04 1r6n n LEU 103 N -4.69 0.29 -4.76 0.65 4.77 -0.65 -0.97 117.00 111.65 1r6n n LEU 103 Ca 0.10 0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 1r6n n LEU 103 Cb 0.16 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1r6n n LEU 103 CO 0.30 0.06 0.66 -0.89 -1.33 0.00 0.00 177.39 176.19 1r6n s THR 104 N -2.62 4.03 0.27 -5.08 2.01 -0.58 -4.64 115.64 109.03 1r6n s THR 104 Ca 0.25 1.99 -0.31 0.00 0.31 0.00 0.00 61.69 63.94 1r6n s THR 104 Cb 0.20 -4.25 -0.12 0.00 0.01 0.00 0.00 72.50 68.34 1r6n s THR 104 CO 0.50 0.43 1.63 -2.65 -0.69 0.00 0.00 174.62 173.84 1r6n n PRO 105 N 1.32 2.69 -2.43 4.92 -0.02 -1.26 -2.99 135.00 137.23 1r6n n PRO 105 Ca -0.01 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 62.00 1r6n n PRO 105 Cb 0.47 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 1r6n n PRO 105 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1r6n s PRO 106 N -0.03 4.15 0.29 0.52 0.04 -1.26 -5.01 135.00 133.70 1r6n s PRO 106 Ca 0.67 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1r6n s PRO 106 Cb -0.51 -3.79 -0.13 0.00 0.04 0.00 0.00 34.50 30.11 1r6n s PRO 106 CO 0.44 -0.82 1.34 1.17 0.04 0.00 0.00 177.00 179.17 1r6n n LYS 107 N 6.79 2.04 -3.59 4.56 4.81 -1.16 -3.30 118.16 128.31 1r6n n LYS 107 Ca 0.14 0.72 -0.21 0.00 -0.87 0.00 0.00 58.31 58.09 1r6n n LYS 107 Cb 0.45 -2.33 0.07 0.00 0.02 0.00 0.00 35.03 33.24 1r6n n LYS 107 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1r6n n ARG 108 N 1.32 -6.49 -3.87 1.64 1.74 -0.14 -5.01 116.66 105.86 1r6n n ARG 108 Ca 0.08 0.77 -0.11 0.00 -0.77 0.00 0.00 57.85 57.82 1r6n n ARG 108 Cb 0.34 -5.68 -0.09 0.00 -1.02 0.00 0.00 32.46 26.00 1r6n n ARG 108 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r6n s PHE 110 N -1.70 3.47 0.01 0.00 0.08 -1.03 -4.72 117.98 114.09 1r6n s PHE 110 Ca -0.12 0.61 -0.15 0.00 0.12 0.00 0.00 56.93 57.38 1r6n s PHE 110 Cb -0.06 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1r6n s PHE 110 CO 0.00 0.30 0.32 -1.59 -0.10 0.00 0.00 175.22 174.15 1r6n s LYS 111 N -3.14 0.75 0.15 0.44 0.00 -1.26 -0.52 119.74 116.17 1r6n s LYS 111 Ca 0.43 -0.32 -0.04 0.00 0.00 0.00 0.00 55.97 56.03 1r6n s LYS 111 Cb -0.11 0.33 -0.03 0.00 0.00 0.00 0.00 37.83 38.02 1r6n s LYS 111 CO 0.27 -0.23 0.16 0.15 0.00 0.00 0.00 175.35 175.70 1r6n s LYS 112 N -1.90 1.05 -0.67 1.78 1.02 -0.08 -4.89 119.74 116.05 1r6n s LYS 112 Ca -0.09 -1.35 -0.07 0.00 0.02 0.00 0.00 55.97 54.48 1r6n s LYS 112 Cb -0.03 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.59 1r6n s LYS 112 CO 0.01 -0.34 0.66 1.04 -0.92 0.00 0.00 175.35 175.79 1r6n n GLN 113 N -0.16 -1.63 -3.12 1.68 3.00 -1.26 -2.46 117.38 113.42 1r6n n GLN 113 Ca -0.05 1.45 -0.33 0.00 -0.01 0.00 0.00 57.00 58.06 1r6n n GLN 113 Cb 0.64 -4.66 -0.06 0.00 0.00 0.00 0.00 30.24 26.15 1r6n n GLN 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1r6n s GLY 114 N -2.79 2.40 0.09 1.08 0.00 -1.26 -1.55 107.32 105.29 1r6n s GLY 114 Ca 0.08 0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1r6n s GLY 114 CO 0.80 0.32 -0.09 -1.31 0.00 0.00 0.00 173.10 172.82 1r6n s ASN 115 N -2.13 1.29 0.14 1.64 -0.87 -0.27 -4.94 114.94 109.81 1r6n s ASN 115 Ca 0.52 -0.80 -0.23 0.00 -1.57 0.00 0.00 52.86 50.78 1r6n s ASN 115 Cb -0.12 0.03 -0.08 0.00 -0.02 0.00 0.00 41.25 41.07 1r6n s ASN 115 CO 0.18 -0.29 0.70 -0.89 -2.57 0.00 0.00 177.10 174.23 1r6n s THR 116 N -2.46 4.52 -0.09 1.60 2.01 -1.26 -1.10 115.64 118.86 1r6n s THR 116 Ca 0.04 1.48 0.00 0.00 0.31 0.00 0.00 61.69 63.52 1r6n s THR 116 Cb -0.03 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.48 1r6n s THR 116 CO -0.01 0.49 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.65 1r6n s VAL 117 N -1.19 0.90 -0.10 3.82 1.01 0.08 -4.53 120.40 120.38 1r6n s VAL 117 Ca 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1r6n s VAL 117 Cb -0.21 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1r6n s VAL 117 CO 0.23 0.33 -0.00 -1.61 0.00 0.00 0.00 175.10 174.05 1r6n s GLU 118 N 1.35 3.09 -0.16 2.72 2.02 0.76 -0.42 118.70 128.07 1r6n s GLU 118 Ca -0.02 -0.42 -0.00 0.00 0.02 0.00 0.00 54.97 54.54 1r6n s GLU 118 Cb -0.14 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.31 1r6n s GLU 118 CO -0.04 0.63 -0.09 0.08 0.02 0.00 0.00 175.26 175.87 1r6n s VAL 119 N -0.69 1.31 -0.29 2.63 1.01 -0.57 0.33 120.40 124.13 1r6n s VAL 119 Ca 0.11 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1r6n s VAL 119 Cb -0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1r6n s VAL 119 CO 0.02 0.27 0.20 -0.75 0.00 0.00 0.00 175.10 174.84 1r6n s LYS 120 N 1.57 3.84 -0.08 2.72 2.20 -0.34 -1.31 119.74 128.33 1r6n s LYS 120 Ca 0.02 -0.40 -0.19 0.00 -0.36 0.00 0.00 55.97 55.04 1r6n s LYS 120 Cb -0.14 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 1r6n s LYS 120 CO -0.09 -0.25 0.52 -0.06 -0.36 0.00 0.00 175.35 175.12 1r6n s PHE 121 N 1.75 3.57 0.00 4.03 0.40 0.29 -1.73 117.98 126.29 1r6n s PHE 121 Ca 0.07 1.00 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 1r6n s PHE 121 Cb -0.16 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 40.80 1r6n s PHE 121 CO 0.11 0.24 0.00 -0.25 0.70 0.00 0.00 175.22 176.02 1r6n n ASP 122 N 3.33 0.00 0.00 1.36 8.00 -0.35 -3.09 116.55 125.80 1r6n n ASP 122 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1r6n n ASP 122 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1r6n n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r6n n GLY 123 N 0.00 1.61 3.14 0.44 0.00 -1.26 -4.96 105.19 104.17 1r6n n GLY 123 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1r6n n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6n h GLU 125 N 7.92 0.00 -0.05 0.00 4.39 -1.99 1.08 114.58 125.92 1r6n h GLU 125 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1r6n h GLU 125 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1r6n h GLU 125 CO 0.52 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.97 1r6n n ASP 126 N -3.76 1.18 -3.01 1.42 5.68 -1.26 -4.18 116.55 112.62 1r6n n ASP 126 Ca 0.32 -1.47 -0.33 0.00 -0.50 0.00 0.00 54.79 52.81 1r6n n ASP 126 Cb 1.62 -0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 41.57 1r6n n ASP 126 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1r6n n ASN 127 N -0.05 5.77 -4.20 -1.12 3.02 0.37 -5.01 115.26 114.04 1r6n n ASN 127 Ca 0.19 -3.72 -0.34 0.00 -0.03 0.00 0.00 54.58 50.67 1r6n n ASN 127 Cb 0.28 -0.78 -0.15 0.00 -0.61 0.00 0.00 39.78 38.53 1r6n n ASN 127 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r6n s VAL 128 N -4.78 2.82 0.11 2.41 1.01 -1.26 -0.55 120.40 120.15 1r6n s VAL 128 Ca 0.47 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1r6n s VAL 128 Cb 0.31 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1r6n s VAL 128 CO -0.19 0.29 0.19 -0.04 0.00 0.00 0.00 175.10 175.34 1r6n s MET 129 N 1.34 3.21 -0.06 2.72 -1.94 -0.43 -4.93 119.30 119.21 1r6n s MET 129 Ca 0.02 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.42 1r6n s MET 129 Cb -0.16 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.79 1r6n s MET 129 CO -0.06 0.55 -0.17 -1.21 -0.01 0.00 0.00 175.02 174.13 1r6n s GLU 130 N -2.79 2.61 0.26 2.03 2.02 -1.26 -1.51 118.70 120.06 1r6n s GLU 130 Ca 0.33 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.58 1r6n s GLU 130 Cb -0.12 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 1r6n s GLU 130 CO 0.26 0.51 0.08 0.71 0.02 0.00 0.00 175.26 176.84 1r6n s TYR 131 N -0.46 1.60 -0.03 1.61 2.02 0.44 -4.95 117.35 117.58 1r6n s TYR 131 Ca 0.05 -1.12 0.05 0.00 -0.37 0.00 0.00 57.07 55.69 1r6n s TYR 131 Cb -0.12 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 1r6n s TYR 131 CO 0.02 -0.25 -0.18 0.08 -1.57 0.00 0.00 175.55 173.64 1r6n s VAL 132 N -3.65 2.71 -0.11 0.71 1.01 -1.26 -0.75 120.40 119.07 1r6n s VAL 132 Ca 0.36 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1r6n s VAL 132 Cb 0.08 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1r6n s VAL 132 CO 0.13 0.57 -0.17 0.54 0.00 0.00 0.00 175.10 176.17 1r6n s VAL 133 N -0.71 1.64 -0.17 2.92 0.11 -0.26 -4.93 120.40 119.01 1r6n s VAL 133 Ca 0.11 -0.74 -0.15 0.00 -2.93 0.00 0.00 61.98 58.27 1r6n s VAL 133 Cb -0.10 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 1r6n s VAL 133 CO 0.00 0.47 0.34 0.26 -3.33 0.00 0.00 175.10 172.84 1r6n s TRP 134 N 0.81 3.44 0.24 1.54 0.52 -1.26 -1.11 118.94 123.11 1r6n s TRP 134 Ca -0.10 0.62 0.01 0.00 0.02 0.00 0.00 56.10 56.65 1r6n s TRP 134 Cb -0.16 -2.41 0.28 0.00 -1.15 0.00 0.00 33.47 30.03 1r6n s TRP 134 CO 0.01 0.16 1.63 1.15 0.02 0.00 0.00 176.95 179.91 1r6n h THR 135 N 4.80 1.30 -3.21 2.01 2.02 -1.14 -3.20 112.91 115.49 1r6n h THR 135 Ca -0.40 -1.53 -0.57 0.00 0.77 0.00 0.00 66.41 64.68 1r6n h THR 135 Cb 1.17 1.55 -0.35 0.00 -1.74 0.00 0.00 68.15 68.77 1r6n h THR 135 CO 0.74 0.48 -0.83 -1.00 0.37 0.00 0.00 175.52 175.28 1r6n s HIS 136 N -4.25 1.89 -0.05 3.16 3.76 -1.03 -4.24 115.29 114.52 1r6n s HIS 136 Ca -0.07 -0.95 0.05 0.00 -0.15 0.00 0.00 55.06 53.93 1r6n s HIS 136 Cb 0.13 -1.41 -0.00 0.00 1.11 0.00 0.00 32.58 32.40 1r6n s HIS 136 CO 0.81 -0.53 -0.19 0.42 -0.85 0.00 0.00 174.74 174.39 1r6n s ILE 137 N 1.29 1.62 -0.35 0.60 1.01 -0.74 -0.90 121.20 123.73 1r6n s ILE 137 Ca -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1r6n s ILE 137 Cb -0.14 -1.39 0.06 0.00 0.01 0.00 0.00 42.46 41.00 1r6n s ILE 137 CO -0.06 0.46 0.12 -0.31 0.00 0.00 0.00 174.94 175.15 1r6n s TYR 138 N 0.07 3.32 0.01 3.97 1.51 0.32 -0.64 117.35 125.91 1r6n s TYR 138 Ca -0.06 -1.69 -0.17 0.00 -1.01 0.00 0.00 57.07 54.15 1r6n s TYR 138 Cb -0.13 -2.48 -0.06 0.00 -0.11 0.00 0.00 41.96 39.19 1r6n s TYR 138 CO 0.03 -0.80 0.47 -0.51 -1.11 0.00 0.00 175.55 173.63 1r6n s LEU 139 N 1.33 4.46 0.22 -1.29 1.43 0.19 -2.45 118.68 122.57 1r6n s LEU 139 Ca -0.00 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 1r6n s LEU 139 Cb -0.21 -2.70 -0.07 0.00 0.03 0.00 0.00 46.19 43.24 1r6n s LEU 139 CO 0.01 0.26 0.58 -1.58 0.23 0.00 0.00 176.35 175.86 1r6n s GLN 140 N -0.85 3.91 -0.33 1.70 0.74 -1.26 -0.85 119.66 122.72 1r6n s GLN 140 Ca 0.26 0.43 0.00 0.00 0.05 0.00 0.00 55.36 56.09 1r6n s GLN 140 Cb -0.17 -2.72 0.14 0.00 1.10 0.00 0.00 33.01 31.36 1r6n s GLN 140 CO 0.15 0.35 0.26 0.34 -0.55 0.00 0.00 175.29 175.83 1r6n s ASP 141 N -2.11 2.35 0.00 6.67 2.15 0.16 -4.94 116.67 120.95 1r6n s ASP 141 Ca 0.45 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 51.82 1r6n s ASP 141 Cb -0.12 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 1r6n s ASP 141 CO 0.20 -0.33 0.00 0.59 -0.17 0.00 0.00 175.17 175.46 1r6n n ASN 142 N 4.54 0.00 0.00 -0.34 3.02 -1.26 0.30 115.26 121.52 1r6n n ASN 142 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1r6n n ASN 142 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1r6n n ASN 142 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1r6n n ASP 143 N 2.36 0.01 -4.75 6.41 2.03 -1.26 -5.08 116.55 116.27 1r6n n ASP 143 Ca 0.00 -1.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.08 1r6n n ASP 143 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1r6n n ASP 143 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1r6n s SER 144 N -0.00 5.01 0.05 1.67 1.04 0.15 -4.89 113.70 116.72 1r6n s SER 144 Ca 0.00 -0.50 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1r6n s SER 144 Cb 0.00 -1.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.04 1r6n s SER 144 CO 0.00 -0.09 -0.19 0.26 0.98 0.00 0.00 173.24 174.20 1r6n s TRP 145 N -2.26 1.65 -0.07 5.02 0.52 -1.26 0.37 118.94 122.90 1r6n s TRP 145 Ca 0.34 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.13 1r6n s TRP 145 Cb -0.06 -0.98 -0.00 0.00 -1.15 0.00 0.00 33.47 31.28 1r6n s TRP 145 CO 0.23 0.08 -0.22 0.08 0.02 0.00 0.00 176.95 177.14 1r6n s VAL 146 N -0.84 1.85 -0.24 4.03 1.01 -0.03 -4.96 120.40 121.22 1r6n s VAL 146 Ca 0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1r6n s VAL 146 Cb -0.09 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1r6n s VAL 146 CO 0.02 0.51 0.25 -0.75 0.00 0.00 0.00 175.10 175.13 1r6n s LYS 147 N 0.19 4.07 0.40 2.72 2.20 -1.26 -0.64 119.74 127.42 1r6n s LYS 147 Ca -0.12 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 1r6n s LYS 147 Cb -0.15 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1r6n s LYS 147 CO 0.06 -0.03 0.08 0.14 -0.36 0.00 0.00 175.35 175.24 1r6n s VAL 148 N 1.32 0.92 0.34 4.02 -7.23 0.18 -4.97 120.40 114.98 1r6n s VAL 148 Ca 0.11 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1r6n s VAL 148 Cb -0.14 -2.48 -0.07 0.00 0.56 0.00 0.00 36.38 34.25 1r6n s VAL 148 CO 0.07 0.00 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.94 1r6n s THR 149 N -3.17 1.78 0.34 5.32 2.01 -1.26 -1.80 115.64 118.87 1r6n s THR 149 Ca 0.25 -2.09 0.08 0.00 0.31 0.00 0.00 61.69 60.25 1r6n s THR 149 Cb 0.05 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1r6n s THR 149 CO 0.13 -0.14 0.13 -0.44 -0.69 0.00 0.00 174.62 173.61 1r6n s SER 150 N -3.56 4.63 0.29 3.53 0.01 -1.21 -2.23 113.70 115.17 1r6n s SER 150 Ca 0.33 -0.80 -0.06 0.00 1.31 0.00 0.00 55.95 56.73 1r6n s SER 150 Cb 0.06 -0.70 -0.00 0.00 0.21 0.00 0.00 66.02 65.58 1r6n s SER 150 CO 0.15 -0.30 0.44 -0.44 0.41 0.00 0.00 173.24 173.49 1r6n s SER 151 N -3.84 0.48 -0.01 2.44 0.01 0.17 -4.97 113.70 107.99 1r6n s SER 151 Ca 0.38 -1.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.34 1r6n s SER 151 Cb -0.02 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1r6n s SER 151 CO 0.22 -1.20 0.02 -0.69 0.41 0.00 0.00 173.24 172.01 1r6n s VAL 152 N -3.49 0.00 0.10 3.43 1.01 -1.26 -2.04 120.40 118.15 1r6n s VAL 152 Ca 0.29 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1r6n s VAL 152 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 1r6n s VAL 152 CO 0.15 -0.01 0.10 -0.90 0.00 0.00 0.00 175.10 174.44 1r6n n ASP 153 N 3.04 -0.26 0.29 3.32 5.68 -0.77 -5.01 116.55 122.83 1r6n n ASP 153 Ca -0.12 -1.63 0.16 0.00 -0.50 0.00 0.00 54.79 52.70 1r6n n ASP 153 Cb 0.60 0.57 0.86 0.00 -1.14 0.00 0.00 41.12 42.01 1r6n n ASP 153 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r6n h ALA 154 N 1.40 1.27 0.00 2.12 0.00 -1.90 -2.95 119.26 119.21 1r6n h ALA 154 Ca -0.07 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1r6n h ALA 154 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1r6n h ALA 154 CO 0.10 0.07 -1.40 0.87 0.00 0.00 0.00 179.25 178.90 1r6n h LYS 155 N 0.00 0.00 0.00 0.00 1.57 -1.96 -3.44 116.57 112.74 1r6n h LYS 155 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r6n h LYS 155 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1r6n h LYS 155 CO 0.01 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 1r6n n GLY 156 N 1.46 -0.62 3.60 3.86 0.00 -1.11 -1.36 105.19 111.02 1r6n n GLY 156 Ca -0.10 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1r6n n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r6n s ILE 157 N -3.00 3.93 0.24 -0.61 1.01 -0.84 -1.84 121.20 120.09 1r6n s ILE 157 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 1r6n s ILE 157 Cb 0.00 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1r6n s ILE 157 CO 0.00 0.59 0.50 -0.72 0.00 0.00 0.00 174.94 175.31 1r6n s TYR 158 N -0.67 0.27 0.16 3.97 -0.85 -0.86 -1.45 117.35 117.92 1r6n s TYR 158 Ca 0.10 -0.64 0.09 0.00 -0.52 0.00 0.00 57.07 56.10 1r6n s TYR 158 Cb -0.12 0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 1r6n s TYR 158 CO 0.02 -1.00 -0.20 1.52 -1.52 0.00 0.00 175.55 174.37 1r6n s TYR 159 N -4.00 1.91 -0.18 -3.49 -0.85 -0.57 -0.65 117.35 109.52 1r6n s TYR 159 Ca 0.20 -0.44 -0.02 0.00 -0.52 0.00 0.00 57.07 56.29 1r6n s TYR 159 Cb -0.01 -0.96 -0.01 0.00 0.38 0.00 0.00 41.96 41.35 1r6n s TYR 159 CO 0.08 0.34 -0.09 0.99 -1.52 0.00 0.00 175.55 175.35 1r6n s THR 160 N -1.82 3.18 -0.26 -3.49 2.01 -0.95 -1.79 115.64 112.52 1r6n s THR 160 Ca 0.15 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1r6n s THR 160 Cb -0.07 -2.39 0.07 0.00 0.01 0.00 0.00 72.50 70.12 1r6n s THR 160 CO 0.07 0.48 -0.01 0.00 -0.69 0.00 0.00 174.62 174.46 1r6n n GLY 162 N 4.62 3.18 0.54 0.00 0.00 -1.26 -1.68 105.19 110.60 1r6n n GLY 162 Ca -0.08 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1r6n n GLY 162 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r6n n GLN 163 N 13.32 1.42 -3.22 1.61 1.13 -1.26 -4.94 117.38 125.43 1r6n n GLN 163 Ca 0.00 -1.09 -0.39 0.00 -1.94 0.00 0.00 57.00 53.58 1r6n n GLN 163 Cb 0.00 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 28.82 1r6n n GLN 163 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1r6n s PHE 164 N -2.34 3.65 -0.20 1.08 0.08 -0.67 -5.07 117.98 114.51 1r6n s PHE 164 Ca 0.24 1.15 -0.03 0.00 0.12 0.00 0.00 56.93 58.40 1r6n s PHE 164 Cb 0.19 -2.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1r6n s PHE 164 CO 0.48 0.31 -0.07 0.15 -0.10 0.00 0.00 175.22 176.00 1r6n s LYS 165 N -0.02 3.36 -0.19 0.44 1.02 -1.26 -1.69 119.74 121.40 1r6n s LYS 165 Ca 0.30 -0.65 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 1r6n s LYS 165 Cb -0.18 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1r6n s LYS 165 CO 0.16 -0.12 -0.12 0.99 -0.92 0.00 0.00 175.35 175.34 1r6n s THR 166 N 1.25 2.77 -0.12 2.17 2.01 -0.74 -4.97 115.64 118.01 1r6n s THR 166 Ca 0.03 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 1r6n s THR 166 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1r6n s THR 166 CO -0.03 0.49 0.56 -0.31 -0.69 0.00 0.00 174.62 174.64 1r6n s TYR 167 N 1.22 3.50 -1.29 4.92 1.51 -1.26 -1.51 117.35 124.43 1r6n s TYR 167 Ca 0.02 0.98 0.14 0.00 -1.01 0.00 0.00 57.07 57.20 1r6n s TYR 167 Cb -0.14 -2.66 0.33 0.00 -0.11 0.00 0.00 41.96 39.37 1r6n s TYR 167 CO -0.05 0.08 1.24 2.48 -1.11 0.00 0.00 175.55 178.18 1r6n n TYR 168 N 3.99 0.46 -3.65 2.71 0.18 -0.53 -4.84 117.16 115.49 1r6n n TYR 168 Ca -0.04 -0.40 -0.07 0.00 1.88 0.00 0.00 57.90 59.27 1r6n n TYR 168 Cb 0.51 -0.02 -0.08 0.00 -0.38 0.00 0.00 39.34 39.37 1r6n n TYR 168 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1r6n s VAL 169 N -1.04 -0.72 -0.33 -3.48 1.01 -1.21 -4.81 120.40 109.83 1r6n s VAL 169 Ca 0.27 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1r6n s VAL 169 Cb 0.14 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1r6n s VAL 169 CO 0.19 0.05 0.16 0.21 0.00 0.00 0.00 175.10 175.72 1r6n s ASN 170 N 2.67 5.54 0.47 3.32 3.84 -1.26 -1.99 114.94 127.52 1r6n s ASN 170 Ca -0.02 -0.75 0.23 0.00 0.21 0.00 0.00 52.86 52.53 1r6n s ASN 170 Cb -0.12 -1.98 1.17 0.00 -0.55 0.00 0.00 41.25 39.76 1r6n s ASN 170 CO -0.14 -0.27 1.97 -0.26 -2.79 0.00 0.00 177.10 175.61 1r6n h PHE 171 N 8.36 0.00 -0.12 0.43 0.04 -1.55 -2.62 116.94 121.48 1r6n h PHE 171 Ca -0.29 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.27 1r6n h PHE 171 Cb 1.12 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.29 1r6n h PHE 171 CO 0.61 0.20 -0.75 -0.97 -0.60 0.00 0.00 178.31 176.80 1r6n h ASN 172 N 0.00 0.86 -0.39 2.17 -0.73 -1.91 -2.38 115.58 113.20 1r6n h ASN 172 Ca -0.00 -0.65 -0.02 0.00 1.87 0.00 0.00 56.30 57.50 1r6n h ASN 172 Cb 0.49 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1r6n h ASN 172 CO 0.03 1.38 0.18 0.11 -0.37 0.00 0.00 177.43 178.75 1r6n h LYS 173 N 0.40 0.57 -0.88 6.67 1.57 -1.92 -2.39 116.57 120.59 1r6n h LYS 173 Ca -0.06 -0.09 0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1r6n h LYS 173 Cb 1.39 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.54 1r6n h LYS 173 CO 0.15 0.51 0.57 0.93 -0.57 0.00 0.00 179.45 181.04 1r6n h GLU 174 N 0.49 0.80 0.13 3.15 4.39 -1.45 -2.08 114.58 120.00 1r6n h GLU 174 Ca 0.13 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1r6n h GLU 174 Cb 0.14 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1r6n h GLU 174 CO -0.01 0.53 -0.08 0.00 -1.16 0.00 0.00 179.01 178.28 1r6n h ALA 175 N 1.57 -0.19 0.00 3.43 0.00 -0.91 -1.27 119.26 121.88 1r6n h ALA 175 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1r6n h ALA 175 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1r6n h ALA 175 CO -0.18 -0.61 0.00 1.04 0.00 0.00 0.00 179.25 179.50 1r6n n GLN 176 N -5.19 0.00 -0.03 0.00 6.02 -0.79 0.54 117.38 117.93 1r6n n GLN 176 Ca -0.08 0.18 -0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1r6n n GLN 176 Cb 0.12 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 1r6n n GLN 176 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1r6n n LYS 177 N -1.18 2.90 0.00 -1.09 5.02 -0.58 -4.80 118.16 118.43 1r6n n LYS 177 Ca 0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1r6n n LYS 177 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1r6n n LYS 177 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1r6n n TYR 178 N -2.25 0.00 -4.61 2.13 4.01 -0.60 -5.08 117.16 110.76 1r6n n TYR 178 Ca -0.10 -0.01 -0.28 0.00 -0.16 0.00 0.00 57.90 57.34 1r6n n TYR 178 Cb 0.71 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.65 1r6n n TYR 178 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1r6n s GLY 179 N -0.03 2.70 0.00 2.72 0.00 0.19 -4.93 107.32 107.98 1r6n s GLY 179 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1r6n s GLY 179 CO 0.00 -1.98 0.00 -1.14 0.00 0.00 0.00 173.10 169.98 1r6n n SER 180 N -1.21 3.88 -4.87 1.64 3.41 -1.26 -4.64 113.62 110.57 1r6n n SER 180 Ca -0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.28 1r6n n SER 180 Cb 0.66 0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 1r6n n SER 180 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r6n s THR 181 N -1.71 2.28 -0.54 6.66 2.01 -1.26 -5.03 115.64 118.06 1r6n s THR 181 Ca 0.00 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 60.58 1r6n s THR 181 Cb 0.00 -2.71 0.45 0.00 0.01 0.00 0.00 72.50 70.25 1r6n s THR 181 CO 0.00 0.00 1.75 0.59 -0.69 0.00 0.00 174.62 176.27 1r6n n ASN 182 N -1.59 6.76 -4.08 3.53 5.03 -1.26 -4.84 115.26 118.82 1r6n n ASN 182 Ca 0.02 -3.78 -0.28 0.00 0.87 0.00 0.00 54.58 51.41 1r6n n ASN 182 Cb 0.63 -0.76 -0.17 0.00 -1.02 0.00 0.00 39.78 38.46 1r6n n ASN 182 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1r6n s HIS 183 N -3.75 1.94 0.12 3.10 3.76 -1.26 -4.81 115.29 114.39 1r6n s HIS 183 Ca 0.60 -0.84 -0.12 0.00 -0.15 0.00 0.00 55.06 54.55 1r6n s HIS 183 Cb 0.48 -1.38 0.01 0.00 1.11 0.00 0.00 32.58 32.80 1r6n s HIS 183 CO 0.00 -0.41 0.31 1.67 -0.85 0.00 0.00 174.74 175.46 1r6n s TRP 184 N 0.78 0.03 -0.05 1.40 -2.14 -1.26 -1.21 118.94 116.49 1r6n s TRP 184 Ca -0.11 -0.41 0.06 0.00 2.66 0.00 0.00 56.10 58.30 1r6n s TRP 184 Cb -0.16 0.09 -0.01 0.00 -3.10 0.00 0.00 33.47 30.30 1r6n s TRP 184 CO 0.02 -0.65 -0.23 -2.00 -2.66 0.00 0.00 176.95 171.42 1r6n s GLU 185 N -3.86 2.38 -0.12 3.25 2.12 -0.71 -1.13 118.70 120.64 1r6n s GLU 185 Ca 0.06 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.55 1r6n s GLU 185 Cb 0.03 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 1r6n s GLU 185 CO -0.09 0.35 -0.09 0.08 -0.54 0.00 0.00 175.26 174.96 1r6n s VAL 186 N -0.11 3.46 -0.09 3.70 1.01 0.25 -1.20 120.40 127.41 1r6n s VAL 186 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1r6n s VAL 186 Cb -0.13 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.82 1r6n s VAL 186 CO 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 175.10 175.65 1r6n s TYR 188 N 1.88 -0.36 0.00 0.00 1.13 -1.06 -0.17 117.35 118.77 1r6n s TYR 188 Ca 0.05 0.85 0.00 0.00 -1.41 0.00 0.00 57.07 56.56 1r6n s TYR 188 Cb -0.13 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 1r6n s TYR 188 CO -0.06 -0.23 0.00 0.41 -2.51 0.00 0.00 175.55 173.16 1r6n n GLY 189 N 3.96 1.87 0.82 5.49 0.00 -1.26 -1.93 105.19 114.13 1r6n n GLY 189 Ca -0.22 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.37 1r6n n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r6n n SER 190 N 4.45 3.61 -4.86 1.61 7.64 -1.26 -4.99 113.62 119.81 1r6n n SER 190 Ca 0.00 -2.72 -0.35 0.00 1.01 0.00 0.00 58.87 56.81 1r6n n SER 190 Cb 0.00 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 1r6n n SER 190 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1r6n s THR 191 N -2.30 5.29 -0.01 0.44 2.01 -0.81 -5.11 115.64 115.15 1r6n s THR 191 Ca 0.37 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1r6n s THR 191 Cb 0.28 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1r6n s THR 191 CO 0.11 0.49 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.78 1r6n s VAL 192 N -1.13 0.51 -0.07 3.82 1.01 -1.26 -2.55 120.40 120.73 1r6n s VAL 192 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1r6n s VAL 192 Cb -0.12 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.83 1r6n s VAL 192 CO 0.10 0.16 0.18 -0.51 0.00 0.00 0.00 175.10 175.02 1r6n s ILE 193 N 0.06 -0.02 0.04 2.22 2.07 -0.78 -4.98 121.20 119.81 1r6n s ILE 193 Ca -0.00 0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.34 1r6n s ILE 193 Cb -0.05 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1r6n s ILE 193 CO -0.00 0.04 0.07 0.00 -1.91 0.00 0.00 174.94 173.14 1r6n s SER 195 N -2.09 5.71 0.00 0.00 1.04 -0.28 -4.86 113.70 113.23 1r6n s SER 195 Ca 0.26 2.41 0.31 0.00 0.48 0.00 0.00 55.95 59.42 1r6n s SER 195 Cb -0.12 -2.61 1.87 0.00 0.10 0.00 0.00 66.02 65.26 1r6n s SER 195 CO 0.18 -1.24 2.19 -0.81 0.98 0.00 0.00 173.24 174.55