#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7h s SER 2 N 0.00 6.36 -0.18 6.12 0.01 -1.26 -5.00 113.70 119.76 1r7h s SER 2 Ca 0.00 0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.42 1r7h s SER 2 Cb 0.00 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 1r7h s SER 2 CO 0.00 -0.36 0.16 -0.63 0.41 0.00 0.00 173.24 172.82 1r7h s ILE 3 N 2.32 5.40 -0.21 1.44 1.01 -1.26 -5.08 121.20 124.82 1r7h s ILE 3 Ca 0.19 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.12 1r7h s ILE 3 Cb -0.16 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.87 1r7h s ILE 3 CO 0.11 0.46 -0.11 -0.89 0.00 0.00 0.00 174.94 174.51 1r7h s THR 4 N 0.16 1.73 -0.44 2.92 2.01 -1.26 -1.95 115.64 118.81 1r7h s THR 4 Ca 0.11 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 1r7h s THR 4 Cb -0.12 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.62 1r7h s THR 4 CO 0.00 0.15 0.56 -0.22 -0.69 0.00 0.00 174.62 174.42 1r7h s LEU 5 N 1.35 4.71 -0.46 4.42 2.96 -0.62 -4.97 118.68 126.07 1r7h s LEU 5 Ca -0.02 -0.55 -0.26 0.00 -0.22 0.00 0.00 54.13 53.08 1r7h s LEU 5 Cb -0.17 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 43.99 1r7h s LEU 5 CO -0.08 -0.72 0.94 -0.31 -1.32 0.00 0.00 176.35 174.87 1r7h s TYR 6 N 2.53 2.91 0.16 5.38 1.51 -1.26 -1.39 117.35 127.19 1r7h s TYR 6 Ca 0.17 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 1r7h s TYR 6 Cb -0.16 -4.01 0.01 0.00 -0.11 0.00 0.00 41.96 37.70 1r7h s TYR 6 CO 0.16 -1.11 0.11 -2.37 -1.11 0.00 0.00 175.55 171.23 1r7h n THR 7 N 6.45 0.00 -3.62 -0.71 5.66 -0.62 -4.96 114.28 116.49 1r7h n THR 7 Ca 0.07 -0.63 -0.09 0.00 -3.05 0.00 0.00 64.05 60.34 1r7h n THR 7 Cb 0.49 -0.33 -0.06 0.00 -1.55 0.00 0.00 70.33 68.88 1r7h n THR 7 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1r7h s LYS 8 N -2.64 0.51 0.76 1.09 2.20 -1.26 -2.65 119.74 117.75 1r7h s LYS 8 Ca 0.08 0.39 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 1r7h s LYS 8 Cb -0.01 0.25 0.05 0.00 -1.51 0.00 0.00 37.83 36.61 1r7h s LYS 8 CO 0.05 -0.11 1.11 -1.25 -0.36 0.00 0.00 175.35 174.80 1r7h s PRO 9 N -0.31 2.22 -1.36 4.03 0.04 -1.26 -3.85 135.00 134.51 1r7h s PRO 9 Ca 0.02 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.29 1r7h s PRO 9 Cb -0.03 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1r7h s PRO 9 CO -0.04 -1.69 1.15 0.00 0.04 0.00 0.00 177.00 176.47 1r7h n ALA 10 N -3.26 -1.36 -3.81 8.56 0.00 -1.26 -4.97 120.51 114.40 1r7h n ALA 10 Ca 0.10 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 1r7h n ALA 10 Cb 0.52 -5.21 -0.15 0.00 0.00 0.00 0.00 19.45 14.61 1r7h n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r7h h VAL 12 N 6.55 1.36 0.00 0.00 2.07 -1.93 -2.82 116.25 121.47 1r7h h VAL 12 Ca -0.14 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.42 1r7h h VAL 12 Cb 1.05 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1r7h h VAL 12 CO 0.43 0.57 -0.35 1.56 0.02 0.00 0.00 177.57 179.81 1r7h h GLN 13 N 0.28 0.00 -0.16 1.57 7.50 -1.99 -1.63 115.11 120.68 1r7h h GLN 13 Ca -0.00 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 1r7h h GLN 13 Cb 1.09 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.62 1r7h h GLN 13 CO 0.10 0.35 -0.28 0.00 -1.50 0.00 0.00 178.83 177.50 1r7h h THR 15 N 0.10 1.26 -0.13 0.00 2.02 -1.38 -2.10 112.91 112.68 1r7h h THR 15 Ca 0.01 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1r7h h THR 15 Cb 0.86 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1r7h h THR 15 CO 0.06 0.39 -0.24 0.00 0.37 0.00 0.00 175.52 176.10 1r7h h ALA 16 N 1.14 1.35 -0.06 6.16 0.00 -1.30 -2.27 119.26 124.27 1r7h h ALA 16 Ca 0.15 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1r7h h ALA 16 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1r7h h ALA 16 CO 0.03 0.45 -0.78 1.15 0.00 0.00 0.00 179.25 180.09 1r7h h THR 17 N 0.21 1.38 -0.49 0.00 2.02 -1.13 -2.33 112.91 112.57 1r7h h THR 17 Ca 0.04 -2.21 -0.13 0.00 0.77 0.00 0.00 66.41 64.87 1r7h h THR 17 Cb 0.55 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1r7h h THR 17 CO 0.04 0.67 -0.20 0.11 0.37 0.00 0.00 175.52 176.50 1r7h h LYS 18 N 0.27 1.00 -0.23 6.66 1.57 -1.16 -2.09 116.57 122.60 1r7h h LYS 18 Ca -0.04 -0.42 -0.15 0.00 -1.87 0.00 0.00 60.65 58.17 1r7h h LYS 18 Cb 1.38 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1r7h h LYS 18 CO 0.14 1.10 -0.46 0.87 -0.57 0.00 0.00 179.45 180.52 1r7h h LYS 19 N 0.86 0.58 0.00 3.15 1.57 -1.43 -2.33 116.57 118.98 1r7h h LYS 19 Ca 0.11 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 1r7h h LYS 19 Cb 0.78 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1r7h h LYS 19 CO 0.06 0.92 -0.42 0.00 -0.57 0.00 0.00 179.45 179.45 1r7h h ALA 20 N 1.03 1.00 0.19 3.86 0.00 -1.33 -2.38 119.26 121.63 1r7h h ALA 20 Ca 0.03 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 1r7h h ALA 20 Cb 0.98 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1r7h h ALA 20 CO 0.09 0.52 -1.40 -0.07 0.00 0.00 0.00 179.25 178.39 1r7h h LEU 21 N 0.00 0.64 -0.87 0.00 3.38 -1.26 -2.83 115.31 114.37 1r7h h LEU 21 Ca -0.00 -0.70 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 1r7h h LEU 21 Cb 0.93 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1r7h h LEU 21 CO 0.05 1.55 -0.53 0.44 0.09 0.00 0.00 178.44 180.05 1r7h h ASP 22 N 0.11 0.00 0.45 -0.43 3.32 -1.40 -1.21 116.42 117.26 1r7h h ASP 22 Ca -0.21 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.66 1r7h h ASP 22 Cb 2.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.62 1r7h h ASP 22 CO 0.24 0.53 -0.78 -0.09 -1.72 0.00 0.00 179.24 177.41 1r7h h ARG 23 N 0.00 0.26 0.00 3.56 2.43 -1.51 -3.03 114.38 116.09 1r7h h ARG 23 Ca -0.01 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1r7h h ARG 23 Cb 0.99 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1r7h h ARG 23 CO 0.07 0.92 0.00 0.00 -1.51 0.00 0.00 179.97 179.44 1r7h n ALA 24 N -2.48 2.45 -1.18 2.80 0.00 -1.07 -4.90 120.51 116.13 1r7h n ALA 24 Ca -0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1r7h n ALA 24 Cb 0.74 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1r7h n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r7h n GLY 25 N 1.29 0.81 3.78 0.00 0.00 -0.90 -5.01 105.19 105.17 1r7h n GLY 25 Ca 0.13 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 1r7h n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r7h s LEU 26 N -1.31 4.42 0.04 0.99 1.43 -0.51 -5.03 118.68 118.71 1r7h s LEU 26 Ca 0.00 1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 53.90 1r7h s LEU 26 Cb 0.00 -2.75 -0.06 0.00 0.03 0.00 0.00 46.19 43.41 1r7h s LEU 26 CO 0.00 0.18 0.68 0.00 0.23 0.00 0.00 176.35 177.43 1r7h s ALA 27 N -0.41 3.45 0.15 4.21 0.00 -1.26 -4.50 121.76 123.40 1r7h s ALA 27 Ca 0.27 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 1r7h s ALA 27 Cb -0.17 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1r7h s ALA 27 CO 0.14 0.17 0.22 1.52 0.00 0.00 0.00 175.76 177.81 1r7h s TYR 28 N -0.35 0.50 -0.19 0.00 -0.85 -1.26 -4.34 117.35 110.87 1r7h s TYR 28 Ca 0.34 -0.87 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1r7h s TYR 28 Cb -0.20 -0.17 0.01 0.00 0.38 0.00 0.00 41.96 41.99 1r7h s TYR 28 CO 0.21 -0.66 -0.16 1.21 -1.52 0.00 0.00 175.55 174.63 1r7h s ASN 29 N -2.98 3.44 0.10 -0.18 3.04 -0.82 -4.99 114.94 112.54 1r7h s ASN 29 Ca 0.18 -0.58 -0.22 0.00 0.04 0.00 0.00 52.86 52.28 1r7h s ASN 29 Cb 0.04 -1.55 -0.07 0.00 -1.54 0.00 0.00 41.25 38.14 1r7h s ASN 29 CO -0.00 -0.00 0.66 -0.89 -3.04 0.00 0.00 177.10 173.82 1r7h s THR 30 N 1.31 4.62 -0.28 -5.21 2.01 -1.26 -1.60 115.64 115.24 1r7h s THR 30 Ca 0.05 1.42 -0.02 0.00 0.31 0.00 0.00 61.69 63.44 1r7h s THR 30 Cb -0.13 -4.00 0.09 0.00 0.01 0.00 0.00 72.50 68.47 1r7h s THR 30 CO -0.10 0.52 0.09 -0.69 -0.69 0.00 0.00 174.62 173.75 1r7h s VAL 31 N -0.96 0.51 -0.28 3.82 1.01 -0.49 -4.97 120.40 119.05 1r7h s VAL 31 Ca 0.32 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1r7h s VAL 31 Cb -0.21 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1r7h s VAL 31 CO 0.22 -0.59 1.59 -0.62 0.00 0.00 0.00 175.10 175.70 1r7h s ASP 32 N 1.81 6.31 0.28 3.32 -1.08 -1.26 -1.58 116.67 124.47 1r7h s ASP 32 Ca 0.07 1.41 0.25 0.00 -0.52 0.00 0.00 52.55 53.77 1r7h s ASP 32 Cb -0.17 -2.53 0.73 0.00 -1.46 0.00 0.00 42.92 39.49 1r7h s ASP 32 CO -0.25 -1.35 1.74 0.16 0.52 0.00 0.00 175.17 175.99 1r7h h ILE 33 N 6.30 0.00 0.00 4.11 3.07 -1.78 -2.76 117.51 126.45 1r7h h ILE 33 Ca -0.32 -0.58 -0.04 0.00 1.55 0.00 0.00 64.86 65.47 1r7h h ILE 33 Cb 1.14 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 39.25 1r7h h ILE 33 CO 1.02 0.00 -0.17 0.77 -1.05 0.00 0.00 178.15 178.72 1r7h h SER 34 N 0.00 0.00 0.02 2.16 4.64 -1.91 -3.18 113.55 115.29 1r7h h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r7h h SER 34 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1r7h h SER 34 CO 0.00 0.17 -1.84 0.18 -0.87 0.00 0.00 176.83 174.47 1r7h n LEU 35 N -3.42 0.15 -4.09 5.97 4.77 -1.12 -4.91 117.00 114.35 1r7h n LEU 35 Ca -0.00 -0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.59 1r7h n LEU 35 Cb 0.36 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1r7h n LEU 35 CO 0.32 0.03 -0.46 -0.62 -1.33 0.00 0.00 177.39 175.33 1r7h s ASP 36 N -4.33 4.30 0.14 -1.43 -1.08 -1.06 -5.00 116.67 108.21 1r7h s ASP 36 Ca -0.06 -1.27 -0.12 0.00 -0.52 0.00 0.00 52.55 50.58 1r7h s ASP 36 Cb 0.14 -1.56 -0.04 0.00 -1.46 0.00 0.00 42.92 40.01 1r7h s ASP 36 CO 0.90 -0.17 1.49 -0.78 0.52 0.00 0.00 175.17 177.14 1r7h h ASP 37 N 7.82 0.93 -0.85 -0.34 3.58 -1.91 -2.56 116.42 123.09 1r7h h ASP 37 Ca -0.23 -0.43 0.10 0.00 0.42 0.00 0.00 57.03 56.88 1r7h h ASP 37 Cb 1.06 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.79 1r7h h ASP 37 CO 0.49 1.16 0.55 -0.08 -2.88 0.00 0.00 179.24 178.48 1r7h h GLU 38 N 0.70 0.79 0.00 0.28 4.81 -1.94 -1.49 114.58 117.73 1r7h h GLU 38 Ca 0.08 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1r7h h GLU 38 Cb 0.85 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1r7h h GLU 38 CO 0.07 0.53 -0.50 0.00 -0.73 0.00 0.00 179.01 178.38 1r7h h ALA 39 N 1.57 0.82 -0.27 2.92 0.00 -1.86 -2.19 119.26 120.25 1r7h h ALA 39 Ca 0.39 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1r7h h ALA 39 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1r7h h ALA 39 CO -0.16 0.62 -0.29 0.00 0.00 0.00 0.00 179.25 179.42 1r7h h ARG 40 N 0.00 0.68 -0.34 0.00 3.08 -0.97 -2.43 114.38 114.40 1r7h h ARG 40 Ca -0.00 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 1r7h h ARG 40 Cb 1.16 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1r7h h ARG 40 CO 0.06 0.98 0.03 0.22 -1.07 0.00 0.00 179.97 180.19 1r7h h ASP 41 N 0.42 0.47 0.25 7.04 1.82 -1.21 -1.90 116.42 123.31 1r7h h ASP 41 Ca 0.04 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1r7h h ASP 41 Cb 0.86 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.75 1r7h h ASP 41 CO 0.07 0.52 -0.12 0.22 -1.61 0.00 0.00 179.24 178.33 1r7h h TYR 42 N 0.49 -0.31 -1.00 0.28 3.20 -1.37 -1.98 116.97 116.29 1r7h h TYR 42 Ca 0.11 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.07 1r7h h TYR 42 Cb 0.28 0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.57 1r7h h TYR 42 CO 0.01 0.07 0.64 0.28 -1.64 0.00 0.00 178.16 177.52 1r7h h VAL 43 N -0.87 0.99 -0.14 1.81 2.07 -1.42 -2.36 116.25 116.33 1r7h h VAL 43 Ca -0.03 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 66.96 1r7h h VAL 43 Cb 0.51 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1r7h h VAL 43 CO 0.06 0.19 -0.57 -0.03 0.02 0.00 0.00 177.57 177.24 1r7h h MET 44 N 1.07 0.45 0.00 1.57 1.85 -1.36 -2.72 114.93 115.78 1r7h h MET 44 Ca 0.47 -0.29 -0.09 0.00 -0.61 0.00 0.00 59.70 59.18 1r7h h MET 44 Cb 0.35 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 1r7h h MET 44 CO -0.22 0.89 -0.42 0.00 -0.40 0.00 0.00 176.91 176.76 1r7h h ALA 45 N 1.05 1.15 -0.00 0.39 0.00 -0.85 -2.66 119.26 118.32 1r7h h ALA 45 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1r7h h ALA 45 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1r7h h ALA 45 CO 0.10 0.53 -0.04 1.28 0.00 0.00 0.00 179.25 181.12 1r7h n LEU 46 N -3.81 0.29 0.00 0.00 4.77 -0.97 -4.91 117.00 112.37 1r7h n LEU 46 Ca -0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1r7h n LEU 46 Cb 0.48 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1r7h n LEU 46 CO 0.38 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1r7h n GLY 47 N 1.20 1.13 2.07 -0.72 0.00 -1.00 -5.01 105.19 102.85 1r7h n GLY 47 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1r7h n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r7h n TYR 48 N -1.55 2.62 -3.94 1.61 4.02 -1.04 -4.71 117.16 114.17 1r7h n TYR 48 Ca 0.00 -1.84 -0.31 0.00 -0.01 0.00 0.00 57.90 55.75 1r7h n TYR 48 Cb 0.00 -0.93 -0.15 0.00 -0.02 0.00 0.00 39.34 38.24 1r7h n TYR 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1r7h s VAL 49 N -3.02 1.64 -0.29 -0.72 1.01 -1.26 -4.84 120.40 112.92 1r7h s VAL 49 Ca 0.49 -1.50 -0.38 0.00 0.00 0.00 0.00 61.98 60.59 1r7h s VAL 49 Cb 0.41 -1.99 -0.14 0.00 0.00 0.00 0.00 36.38 34.66 1r7h s VAL 49 CO 0.07 -0.27 1.93 0.00 0.00 0.00 0.00 175.10 176.83 1r7h n GLN 50 N 4.59 1.19 -4.26 2.72 6.02 -1.26 -4.96 117.38 121.42 1r7h n GLN 50 Ca -0.08 0.41 -0.22 0.00 -0.01 0.00 0.00 57.00 57.10 1r7h n GLN 50 Cb 0.43 -2.25 -0.12 0.00 1.02 0.00 0.00 30.24 29.32 1r7h n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r7h s ALA 51 N 4.94 1.52 0.78 -1.58 0.00 -1.26 -4.43 121.76 121.73 1r7h s ALA 51 Ca 1.02 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 1r7h s ALA 51 Cb -0.98 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 22.02 1r7h s ALA 51 CO 0.59 0.28 1.13 -1.25 0.00 0.00 0.00 175.76 176.51 1r7h s PRO 52 N -1.78 2.04 -0.18 0.00 0.04 -1.26 -4.29 135.00 129.57 1r7h s PRO 52 Ca 0.03 0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.08 1r7h s PRO 52 Cb -0.10 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1r7h s PRO 52 CO 0.03 -1.49 -0.19 0.08 0.04 0.00 0.00 177.00 175.47 1r7h s VAL 53 N -3.48 2.01 0.05 -0.36 1.01 -1.26 -1.67 120.40 116.69 1r7h s VAL 53 Ca 0.61 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1r7h s VAL 53 Cb -0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1r7h s VAL 53 CO 0.48 0.53 0.25 -0.69 0.00 0.00 0.00 175.10 175.67 1r7h s VAL 54 N 1.30 5.34 -0.16 2.92 1.01 -0.65 -4.98 120.40 125.19 1r7h s VAL 54 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1r7h s VAL 54 Cb -0.13 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.72 1r7h s VAL 54 CO -0.13 0.20 0.16 -0.70 0.00 0.00 0.00 175.10 174.63 1r7h s GLU 55 N -2.28 0.10 -0.14 2.72 2.12 -1.26 -2.17 118.70 117.79 1r7h s GLU 55 Ca 0.33 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.88 1r7h s GLU 55 Cb -0.13 -1.16 0.02 0.00 0.26 0.00 0.00 34.13 33.12 1r7h s GLU 55 CO 0.23 -0.56 -0.17 0.08 -0.54 0.00 0.00 175.26 174.30 1r7h s VAL 56 N 2.25 1.74 -1.54 3.70 1.01 -0.54 -4.85 120.40 122.17 1r7h s VAL 56 Ca 0.04 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1r7h s VAL 56 Cb -0.15 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.73 1r7h s VAL 56 CO -0.09 0.49 0.72 0.47 0.00 0.00 0.00 175.10 176.68 1r7h n ASP 57 N 4.37 -2.59 0.00 3.32 8.00 -1.26 -1.26 116.55 127.13 1r7h n ASP 57 Ca -0.19 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1r7h n ASP 57 Cb 0.51 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 1r7h n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r7h n GLY 58 N -1.66 2.25 3.73 0.44 0.00 -1.26 -5.01 105.19 103.68 1r7h n GLY 58 Ca -0.08 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1r7h n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r7h s GLU 59 N 0.00 2.40 0.03 1.61 2.12 -0.39 -5.06 118.70 119.42 1r7h s GLU 59 Ca 0.00 1.81 -0.27 0.00 0.36 0.00 0.00 54.97 56.87 1r7h s GLU 59 Cb 0.00 -1.86 0.09 0.00 0.26 0.00 0.00 34.13 32.62 1r7h s GLU 59 CO 0.00 -1.64 0.76 -3.38 -0.54 0.00 0.00 175.26 170.46 1r7h s HIS 60 N -1.82 -0.47 0.26 5.30 -3.43 -1.26 -1.46 115.29 112.40 1r7h s HIS 60 Ca 0.76 0.44 -0.11 0.00 -0.80 0.00 0.00 55.06 55.35 1r7h s HIS 60 Cb -0.30 0.52 -0.00 0.00 -1.43 0.00 0.00 32.58 31.36 1r7h s HIS 60 CO 0.42 -0.65 0.46 1.67 -2.00 0.00 0.00 174.74 174.64 1r7h s TRP 61 N -2.85 0.51 0.24 0.38 -2.14 -0.92 -5.01 118.94 109.15 1r7h s TRP 61 Ca 0.00 -0.85 0.03 0.00 2.66 0.00 0.00 56.10 57.94 1r7h s TRP 61 Cb -0.01 0.11 -0.05 0.00 -3.10 0.00 0.00 33.47 30.42 1r7h s TRP 61 CO -0.06 -1.00 0.03 -1.54 -2.66 0.00 0.00 176.95 171.71 1r7h s SER 62 N -3.06 1.69 0.07 -2.66 1.04 -1.26 -1.63 113.70 107.89 1r7h s SER 62 Ca 0.25 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1r7h s SER 62 Cb -0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1r7h s SER 62 CO 0.11 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1r7h n GLY 63 N -0.44 -1.52 3.61 7.32 0.00 -0.67 -4.75 105.19 108.74 1r7h n GLY 63 Ca -0.04 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1r7h n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1r7h s PHE 64 N -1.42 3.04 -0.47 1.61 5.36 -1.26 -4.54 117.98 120.29 1r7h s PHE 64 Ca 0.00 0.80 0.03 0.00 -0.96 0.00 0.00 56.93 56.80 1r7h s PHE 64 Cb 0.00 -3.81 0.14 0.00 -0.34 0.00 0.00 43.02 39.01 1r7h s PHE 64 CO 0.00 -0.91 0.27 1.03 -1.46 0.00 0.00 175.22 174.15 1r7h s ARG 65 N 3.68 1.46 0.50 10.12 0.52 -1.26 -4.96 118.95 129.00 1r7h s ARG 65 Ca 0.41 -2.20 0.27 0.00 -0.52 0.00 0.00 55.73 53.69 1r7h s ARG 65 Cb -0.11 -2.51 1.25 0.00 0.52 0.00 0.00 34.95 34.10 1r7h s ARG 65 CO 0.21 -1.18 1.97 -1.00 0.02 0.00 0.00 175.30 175.32 1r7h h PRO 66 N 6.53 0.00 -0.27 3.54 0.13 -2.00 -2.96 132.00 136.97 1r7h h PRO 66 Ca 0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1r7h h PRO 66 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1r7h h PRO 66 CO 0.52 0.15 0.04 0.93 -0.23 0.00 0.00 178.00 179.42 1r7h h GLU 67 N 0.00 0.45 -0.05 0.86 3.07 -2.01 -2.85 114.58 114.05 1r7h h GLU 67 Ca -0.00 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.63 1r7h h GLU 67 Cb 0.52 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1r7h h GLU 67 CO 0.02 0.56 -0.46 0.00 -1.40 0.00 0.00 179.01 177.73 1r7h h ARG 68 N 0.26 0.12 -0.30 2.33 2.47 -1.97 -3.04 114.38 114.26 1r7h h ARG 68 Ca 0.08 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 1r7h h ARG 68 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1r7h h ARG 68 CO 0.01 0.57 -0.26 0.82 0.56 0.00 0.00 179.97 181.67 1r7h h ILE 69 N 0.10 1.27 -0.04 2.04 2.04 -1.45 -2.86 117.51 118.62 1r7h h ILE 69 Ca 0.00 -1.32 -0.12 0.00 1.00 0.00 0.00 64.86 64.42 1r7h h ILE 69 Cb 0.86 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1r7h h ILE 69 CO 0.07 0.43 -0.52 0.11 0.00 0.00 0.00 178.15 178.23 1r7h h LYS 70 N 0.52 0.10 0.00 2.37 1.79 -1.40 -2.86 116.57 117.09 1r7h h LYS 70 Ca 0.07 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1r7h h LYS 70 Cb 0.71 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1r7h h LYS 70 CO 0.05 0.60 -0.15 1.96 -1.08 0.00 0.00 179.45 180.83 1r7h h GLN 71 N 0.08 0.00 0.00 3.15 4.20 -1.40 -2.77 115.11 118.37 1r7h h GLN 71 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1r7h h GLN 71 Cb 0.95 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1r7h h GLN 71 CO 0.07 0.15 -0.70 -0.07 -0.67 0.00 0.00 178.83 177.62 1r7h h LEU 72 N 0.00 0.00 -2.05 1.46 3.38 -1.41 -2.91 115.31 113.78 1r7h h LEU 72 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1r7h h LEU 72 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1r7h h LEU 72 CO 0.02 0.70 -0.04 1.56 0.09 0.00 0.00 178.44 180.76 1r7h h GLN 73 N 0.00 0.00 0.00 1.13 4.20 -1.53 -3.52 115.11 115.38 1r7h h GLN 73 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1r7h h GLN 73 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1r7h h GLN 73 CO 0.09 0.04 0.00 0.00 -0.67 0.00 0.00 178.83 178.30