#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7a s GLN 4 N 0.00 2.89 0.91 3.49 -1.52 -1.26 -5.10 119.66 119.07 1i7a s GLN 4 Ca 0.00 -0.91 -0.11 0.00 -1.95 0.00 0.00 55.36 52.39 1i7a s GLN 4 Cb 0.00 -2.62 0.14 0.00 -0.22 0.00 0.00 33.01 30.31 1i7a s GLN 4 CO 0.00 0.47 1.10 -2.14 -0.25 0.00 0.00 175.29 174.46 1i7a s PRO 5 N -3.25 1.12 0.23 2.91 0.02 -1.26 -4.88 135.00 129.89 1i7a s PRO 5 Ca 0.31 1.09 -0.06 0.00 0.02 0.00 0.00 61.00 62.35 1i7a s PRO 5 Cb -0.10 -1.77 0.41 0.00 0.02 0.00 0.00 34.50 33.06 1i7a s PRO 5 CO 0.24 -2.41 1.70 0.82 -0.33 0.00 0.00 177.00 177.01 1i7a h ILE 6 N -1.68 0.57 -2.51 2.83 1.08 -1.94 -3.42 117.51 112.43 1i7a h ILE 6 Ca -0.48 -0.10 -0.09 0.00 -0.39 0.00 0.00 64.86 63.80 1i7a h ILE 6 Cb 1.27 0.26 -0.21 0.00 -3.07 0.00 0.00 36.82 35.07 1i7a h ILE 6 CO 0.50 0.05 -0.08 0.12 -0.69 0.00 0.00 178.15 178.05 1i7a s PHE 7 N -6.06 -0.50 -0.06 1.37 5.36 -1.26 -5.00 117.98 111.83 1i7a s PHE 7 Ca -0.13 1.07 -0.07 0.00 -0.96 0.00 0.00 56.93 56.85 1i7a s PHE 7 Cb 0.20 0.22 0.02 0.00 -0.34 0.00 0.00 43.02 43.11 1i7a s PHE 7 CO 0.75 -0.37 0.18 -0.08 -1.46 0.00 0.00 175.22 174.24 1i7a s THR 8 N -0.40 0.01 0.28 0.12 -1.32 -1.26 -1.33 115.64 111.74 1i7a s THR 8 Ca -0.05 -0.08 -0.05 0.00 -1.21 0.00 0.00 61.69 60.29 1i7a s THR 8 Cb -0.03 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.69 1i7a s THR 8 CO 0.03 -0.04 0.46 1.07 -2.21 0.00 0.00 174.62 173.93 1i7a n THR 9 N 2.79 0.00 -4.34 5.08 5.66 0.13 -4.99 114.28 118.62 1i7a n THR 9 Ca -0.14 -1.15 -0.19 0.00 -3.05 0.00 0.00 64.05 59.51 1i7a n THR 9 Cb 0.58 0.82 -0.15 0.00 -1.55 0.00 0.00 70.33 70.03 1i7a n THR 9 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1i7a s ARG 10 N -2.42 0.84 0.25 1.09 0.52 -1.26 -0.07 118.95 117.90 1i7a s ARG 10 Ca 0.19 -0.27 -0.21 0.00 -0.52 0.00 0.00 55.73 54.92 1i7a s ARG 10 Cb -0.02 -0.80 0.06 0.00 0.52 0.00 0.00 34.95 34.71 1i7a s ARG 10 CO 0.14 0.11 0.92 0.00 0.02 0.00 0.00 175.30 176.48 1i7a s ALA 11 N 0.16 -1.33 -0.06 2.13 0.00 -0.23 -4.70 121.76 117.73 1i7a s ALA 11 Ca -0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 1i7a s ALA 11 Cb -0.08 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 1i7a s ALA 11 CO 0.00 -1.04 0.35 -1.01 0.00 0.00 0.00 175.76 174.06 1i7a s HIS 12 N -2.62 3.64 -0.14 0.00 3.76 -0.48 -0.41 115.29 119.04 1i7a s HIS 12 Ca 0.17 0.83 -0.04 0.00 -0.15 0.00 0.00 55.06 55.87 1i7a s HIS 12 Cb -0.03 -2.27 -0.03 0.00 1.11 0.00 0.00 32.58 31.36 1i7a s HIS 12 CO 0.07 0.54 -0.00 0.08 -0.85 0.00 0.00 174.74 174.57 1i7a s VAL 13 N -0.61 4.22 0.15 -0.90 1.01 -1.26 -0.02 120.40 122.99 1i7a s VAL 13 Ca 0.21 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1i7a s VAL 13 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1i7a s VAL 13 CO 0.10 0.52 -0.13 -0.36 0.00 0.00 0.00 175.10 175.23 1i7a s PHE 14 N -0.02 1.42 0.11 5.22 0.40 0.36 0.58 117.98 126.06 1i7a s PHE 14 Ca 0.03 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1i7a s PHE 14 Cb -0.13 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1i7a s PHE 14 CO 0.02 0.17 -0.03 -0.65 0.70 0.00 0.00 175.22 175.43 1i7a s GLN 15 N -3.18 0.86 0.07 0.44 -0.21 -0.12 -1.04 119.66 116.49 1i7a s GLN 15 Ca 0.14 -1.37 0.02 0.00 0.02 0.00 0.00 55.36 54.18 1i7a s GLN 15 Cb -0.02 -0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.85 1i7a s GLN 15 CO 0.03 -0.08 0.08 0.42 -2.12 0.00 0.00 175.29 173.62 1i7a s ILE 16 N -3.73 4.59 0.28 1.08 -1.09 -0.76 -0.91 121.20 120.66 1i7a s ILE 16 Ca 0.15 -0.71 -0.06 0.00 -2.23 0.00 0.00 60.65 57.80 1i7a s ILE 16 Cb 0.06 -3.20 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 1i7a s ILE 16 CO -0.03 0.16 -0.32 -3.20 -1.23 0.00 0.00 174.94 170.31 1i7a n ASN 23 N 0.54 -1.36 -4.74 3.58 5.15 -1.26 -4.37 115.26 112.80 1i7a n ASN 23 Ca -0.09 0.03 -0.37 0.00 -0.60 0.00 0.00 54.58 53.55 1i7a n ASN 23 Cb 0.52 -0.19 0.06 0.00 -0.53 0.00 0.00 39.78 39.64 1i7a n ASN 23 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1i7a s TRP 24 N -0.57 2.17 0.00 1.20 0.52 -1.26 -5.04 118.94 115.96 1i7a s TRP 24 Ca 0.11 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.71 1i7a s TRP 24 Cb -0.02 -3.68 -0.00 0.00 -1.15 0.00 0.00 33.47 28.62 1i7a s TRP 24 CO 0.22 -2.81 -0.03 0.08 0.02 0.00 0.00 176.95 174.43 1i7a s VAL 25 N -1.41 0.21 0.27 4.03 1.01 -0.09 -4.95 120.40 119.48 1i7a s VAL 25 Ca 0.80 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1i7a s VAL 25 Cb -0.37 -0.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.71 1i7a s VAL 25 CO 0.40 -0.01 1.18 -2.16 0.00 0.00 0.00 175.10 174.51 1i7a s PRO 26 N -0.25 4.53 -0.01 2.72 0.04 -1.26 -0.95 135.00 139.82 1i7a s PRO 26 Ca -0.01 1.93 0.15 0.00 0.04 0.00 0.00 61.00 63.11 1i7a s PRO 26 Cb -0.02 -3.17 -0.20 0.00 0.04 0.00 0.00 34.50 31.15 1i7a s PRO 26 CO -0.00 0.03 0.45 0.00 0.04 0.00 0.00 177.00 177.52 1i7a n ALA 27 N 1.42 3.12 -3.59 8.56 0.00 0.20 -4.83 120.51 125.38 1i7a n ALA 27 Ca 0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 53.44 52.83 1i7a n ALA 27 Cb 0.44 -0.52 -0.17 0.00 0.00 0.00 0.00 19.45 19.20 1i7a n ALA 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i7a s SER 28 N -3.17 1.65 0.23 0.00 1.04 -1.15 -4.97 113.70 107.33 1i7a s SER 28 Ca -0.01 -0.25 0.16 0.00 0.48 0.00 0.00 55.95 56.33 1i7a s SER 28 Cb 0.10 -0.73 0.86 0.00 0.10 0.00 0.00 66.02 66.35 1i7a s SER 28 CO 0.62 -0.02 1.49 0.29 0.98 0.00 0.00 173.24 176.59 1i7a n LYS 29 N 4.10 0.10 -3.83 4.02 5.02 -1.26 -4.73 118.16 121.59 1i7a n LYS 29 Ca -0.21 0.60 -0.07 0.00 -2.02 0.00 0.00 58.31 56.60 1i7a n LYS 29 Cb 0.51 -1.84 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1i7a n LYS 29 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1i7a s GLN 30 N -3.40 2.03 0.15 1.97 -2.07 -1.26 -5.13 119.66 111.95 1i7a s GLN 30 Ca -0.02 -1.32 -0.31 0.00 -1.82 0.00 0.00 55.36 51.90 1i7a s GLN 30 Cb 0.05 0.56 -0.09 0.00 -1.09 0.00 0.00 33.01 32.44 1i7a s GLN 30 CO 0.15 -0.95 1.44 0.00 -1.32 0.00 0.00 175.29 174.60 1i7a s ALA 31 N -2.19 3.64 0.41 2.60 0.00 -1.26 -4.66 121.76 120.30 1i7a s ALA 31 Ca 0.17 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1i7a s ALA 31 Cb -0.04 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1i7a s ALA 31 CO 0.10 -0.66 0.06 0.14 0.00 0.00 0.00 175.76 175.40 1i7a s VAL 32 N 0.90 1.09 0.14 0.00 -7.23 0.46 -4.83 120.40 110.92 1i7a s VAL 32 Ca 0.65 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.56 1i7a s VAL 32 Cb -0.39 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 33.96 1i7a s VAL 32 CO 0.33 0.00 0.81 -0.89 -0.31 0.00 0.00 175.10 175.03 1i7a s THR 33 N -3.09 4.45 -0.07 5.32 2.01 -1.26 -1.06 115.64 121.94 1i7a s THR 33 Ca 0.25 1.75 0.01 0.00 0.31 0.00 0.00 61.69 64.01 1i7a s THR 33 Cb 0.05 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.41 1i7a s THR 33 CO 0.12 0.46 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 1i7a s VAL 34 N -0.76 0.88 0.07 3.82 1.01 0.89 -4.22 120.40 122.09 1i7a s VAL 34 Ca 0.38 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1i7a s VAL 34 Cb -0.23 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1i7a s VAL 34 CO 0.26 0.31 -0.05 -0.44 0.00 0.00 0.00 175.10 175.18 1i7a s SER 35 N 0.97 0.80 -0.20 3.32 0.01 -0.92 -0.69 113.70 117.00 1i7a s SER 35 Ca -0.09 -0.88 -0.09 0.00 1.31 0.00 0.00 55.95 56.19 1i7a s SER 35 Cb -0.15 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 1i7a s SER 35 CO 0.00 -0.45 0.11 -0.31 0.41 0.00 0.00 173.24 173.00 1i7a s TYR 36 N -3.14 3.36 0.10 2.43 1.51 -0.44 -0.62 117.35 120.54 1i7a s TYR 36 Ca 0.04 0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.41 1i7a s TYR 36 Cb 0.02 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1i7a s TYR 36 CO -0.05 0.24 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.40 1i7a s PHE 37 N 0.38 1.51 -0.39 2.71 0.08 0.08 -2.82 117.98 119.53 1i7a s PHE 37 Ca 0.06 -0.46 -0.18 0.00 0.12 0.00 0.00 56.93 56.47 1i7a s PHE 37 Cb -0.11 -0.82 0.01 0.00 -0.57 0.00 0.00 43.02 41.52 1i7a s PHE 37 CO -0.01 0.15 0.48 -0.47 -0.10 0.00 0.00 175.22 175.27 1i7a s TYR 38 N -1.48 3.16 -0.79 0.36 5.04 -1.26 -0.71 117.35 121.68 1i7a s TYR 38 Ca 0.05 -0.13 -0.26 0.00 -2.44 0.00 0.00 57.07 54.29 1i7a s TYR 38 Cb -0.09 -2.93 0.02 0.00 0.35 0.00 0.00 41.96 39.31 1i7a s TYR 38 CO 0.04 -0.64 1.47 0.34 -1.34 0.00 0.00 175.55 175.41 1i7a s ASP 39 N 1.82 6.00 0.08 4.32 -1.08 0.10 -4.91 116.67 123.00 1i7a s ASP 39 Ca 0.15 -0.53 -0.30 0.00 -0.52 0.00 0.00 52.55 51.35 1i7a s ASP 39 Cb -0.16 -2.56 -0.13 0.00 -1.46 0.00 0.00 42.92 38.61 1i7a s ASP 39 CO 0.14 -1.93 1.48 0.58 0.52 0.00 0.00 175.17 175.95 1i7a h VAL 40 N 6.43 0.00 -0.77 1.11 2.07 -1.95 0.28 116.25 123.42 1i7a h VAL 40 Ca -0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1i7a h VAL 40 Cb 1.06 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1i7a h VAL 40 CO 1.30 0.00 0.51 0.71 0.02 0.00 0.00 177.57 180.10 1i7a h THR 41 N -0.73 1.10 0.00 2.57 1.35 -1.96 -2.58 112.91 112.66 1i7a h THR 41 Ca -0.02 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1i7a h THR 41 Cb 0.69 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1i7a h THR 41 CO -0.17 0.17 -0.38 0.54 -0.25 0.00 0.00 175.52 175.42 1i7a n ARG 42 N -4.46 0.09 -3.44 4.72 1.74 -1.13 -4.97 116.66 109.21 1i7a n ARG 42 Ca 0.10 0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 57.04 1i7a n ARG 42 Cb 0.14 -1.57 0.09 0.00 -1.02 0.00 0.00 32.46 30.10 1i7a n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1i7a n ASN 43 N -1.71 -2.78 -3.79 0.55 3.02 0.07 -5.00 115.26 105.63 1i7a n ASN 43 Ca 0.05 -0.60 -0.07 0.00 -0.03 0.00 0.00 54.58 53.94 1i7a n ASN 43 Cb 0.37 -5.06 -0.02 0.00 -0.61 0.00 0.00 39.78 34.47 1i7a n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1i7a s SER 44 N -4.17 -0.24 0.03 6.41 1.04 -1.12 -5.03 113.70 110.62 1i7a s SER 44 Ca 0.10 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 1i7a s SER 44 Cb -0.04 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1i7a s SER 44 CO 0.72 -1.34 0.18 -0.31 0.98 0.00 0.00 173.24 173.47 1i7a s TYR 45 N -3.76 3.49 -0.01 5.02 1.51 -1.26 0.03 117.35 122.36 1i7a s TYR 45 Ca 0.11 0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1i7a s TYR 45 Cb -0.06 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1i7a s TYR 45 CO 0.07 0.61 -0.05 0.50 -1.11 0.00 0.00 175.55 175.56 1i7a s ARG 46 N -2.20 0.49 -0.25 -0.62 3.52 0.11 -0.79 118.95 119.22 1i7a s ARG 46 Ca 0.30 -0.18 -0.16 0.00 -0.13 0.00 0.00 55.73 55.56 1i7a s ARG 46 Cb -0.13 -0.49 -0.03 0.00 -1.56 0.00 0.00 34.95 32.74 1i7a s ARG 46 CO 0.22 0.09 0.44 0.42 -0.81 0.00 0.00 175.30 175.67 1i7a s ILE 47 N 0.04 5.13 -0.06 4.11 1.01 0.23 -0.74 121.20 130.92 1i7a s ILE 47 Ca -0.00 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.44 1i7a s ILE 47 Cb -0.04 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1i7a s ILE 47 CO -0.00 0.15 -0.19 -0.63 0.00 0.00 0.00 174.94 174.27 1i7a s ILE 48 N 2.01 1.58 -0.04 2.92 1.01 0.21 -1.17 121.20 127.72 1i7a s ILE 48 Ca 0.19 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1i7a s ILE 48 Cb -0.15 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 40.98 1i7a s ILE 48 CO 0.09 0.45 0.06 -0.55 0.00 0.00 0.00 174.94 174.99 1i7a s SER 49 N 0.18 0.49 0.20 3.58 0.15 -0.61 -2.16 113.70 115.54 1i7a s SER 49 Ca -0.09 0.09 0.11 0.00 0.70 0.00 0.00 55.95 56.77 1i7a s SER 49 Cb -0.14 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1i7a s SER 49 CO 0.04 -0.18 -0.23 0.68 1.20 0.00 0.00 173.24 174.74 1i7a s VAL 50 N 1.56 2.38 -0.29 4.45 -7.23 -1.26 -1.23 120.40 118.79 1i7a s VAL 50 Ca -0.03 -2.08 -0.01 0.00 -1.81 0.00 0.00 61.98 58.05 1i7a s VAL 50 Cb -0.12 -2.16 0.13 0.00 0.56 0.00 0.00 36.38 34.79 1i7a s VAL 50 CO -0.03 -0.16 0.28 -0.62 -0.31 0.00 0.00 175.10 174.26 1i7a s ASP 51 N -2.79 1.87 1.20 4.85 2.15 0.49 -4.66 116.67 119.79 1i7a s ASP 51 Ca 0.22 -0.83 0.00 0.00 0.43 0.00 0.00 52.55 52.37 1i7a s ASP 51 Cb -0.08 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1i7a s ASP 51 CO 0.11 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 1i7a n GLY 52 N 5.29 1.56 0.64 2.66 0.00 -1.26 -2.59 105.19 111.49 1i7a n GLY 52 Ca -0.02 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1i7a n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7a n ALA 53 N 10.19 2.53 -2.56 4.61 0.00 -1.26 -4.91 120.51 129.11 1i7a n ALA 53 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 1i7a n ALA 53 Cb 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 1i7a n ALA 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i7a s LYS 54 N -1.89 2.54 -0.35 0.00 1.02 -1.07 -5.07 119.74 114.92 1i7a s LYS 54 Ca 0.35 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.53 1i7a s LYS 54 Cb 0.20 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1i7a s LYS 54 CO 0.31 0.61 0.19 0.54 -0.92 0.00 0.00 175.35 176.08 1i7a s VAL 55 N -0.91 4.59 -0.32 3.17 0.11 -1.26 -0.38 120.40 125.40 1i7a s VAL 55 Ca 0.15 -0.70 0.23 0.00 -2.93 0.00 0.00 61.98 58.73 1i7a s VAL 55 Cb -0.11 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 1i7a s VAL 55 CO 0.05 -0.13 1.04 2.30 -3.33 0.00 0.00 175.10 175.03 1i7a n ILE 56 N 4.99 0.49 -3.85 7.04 -5.35 -0.36 -4.83 119.36 117.48 1i7a n ILE 56 Ca -0.12 -0.47 -0.18 0.00 -0.27 0.00 0.00 62.75 61.70 1i7a n ILE 56 Cb 0.47 -0.22 -0.17 0.00 -1.74 0.00 0.00 39.64 37.98 1i7a n ILE 56 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1i7a s ILE 57 N -3.33 0.15 -0.42 7.28 1.01 -1.04 -4.97 121.20 119.88 1i7a s ILE 57 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.89 1i7a s ILE 57 Cb 0.11 -0.28 0.29 0.00 0.01 0.00 0.00 42.46 42.58 1i7a s ILE 57 CO 0.79 0.17 0.75 -3.20 0.00 0.00 0.00 174.94 173.45 1i7a n ASN 58 N 4.50 -0.68 -4.50 3.58 4.05 -1.21 -1.57 115.26 119.42 1i7a n ASN 58 Ca -0.20 -3.07 -0.36 0.00 0.45 0.00 0.00 54.58 51.40 1i7a n ASN 58 Cb 0.50 0.29 -0.12 0.00 1.23 0.00 0.00 39.78 41.68 1i7a n ASN 58 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1i7a s SER 59 N -1.65 5.29 -0.04 1.20 0.15 -0.31 -4.91 113.70 113.43 1i7a s SER 59 Ca 0.34 -0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.60 1i7a s SER 59 Cb 0.25 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 1i7a s SER 59 CO -0.12 0.01 0.80 -0.89 1.20 0.00 0.00 173.24 174.24 1i7a s THR 60 N 1.36 4.96 -0.32 6.45 2.01 -1.26 0.76 115.64 129.60 1i7a s THR 60 Ca 0.05 1.67 -0.20 0.00 0.31 0.00 0.00 61.69 63.52 1i7a s THR 60 Cb -0.15 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1i7a s THR 60 CO 0.04 0.23 0.60 -0.63 -0.69 0.00 0.00 174.62 174.17 1i7a s ILE 61 N 0.81 4.95 0.31 1.82 -1.09 0.03 -4.96 121.20 123.07 1i7a s ILE 61 Ca 0.43 0.71 0.08 0.00 -2.23 0.00 0.00 60.65 59.63 1i7a s ILE 61 Cb -0.19 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1i7a s ILE 61 CO 0.22 -0.17 0.17 0.42 -1.23 0.00 0.00 174.94 174.35 1i7a s THR 62 N 2.56 3.47 0.23 2.92 -4.23 -1.26 -4.55 115.64 114.78 1i7a s THR 62 Ca 0.23 -1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 1i7a s THR 62 Cb -0.15 -3.09 0.18 0.00 1.34 0.00 0.00 72.50 70.79 1i7a s THR 62 CO 0.12 -0.24 1.77 -0.65 -0.54 0.00 0.00 174.62 175.09 1i7a h PRO 63 N 1.51 0.58 0.00 3.99 0.11 -1.87 -2.10 132.00 134.21 1i7a h PRO 63 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1i7a h PRO 63 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1i7a h PRO 63 CO 0.61 0.38 0.00 0.27 -0.21 0.00 0.00 178.00 179.05 1i7a n ASN 64 N -4.87 0.00 -4.90 -2.05 6.94 -1.26 -4.80 115.26 104.31 1i7a n ASN 64 Ca 0.12 -1.76 -0.29 0.00 -0.02 0.00 0.00 54.58 52.62 1i7a n ASN 64 Cb 0.29 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 1i7a n ASN 64 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1i7a s MET 65 N -2.00 3.64 0.00 -3.83 -1.94 -0.79 -5.10 119.30 109.28 1i7a s MET 65 Ca 0.08 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.05 1i7a s MET 65 Cb 0.04 -2.71 -0.00 0.00 2.01 0.00 0.00 34.83 34.17 1i7a s MET 65 CO 0.06 0.30 -0.01 0.95 -0.01 0.00 0.00 175.02 176.32 1i7a s THR 66 N -1.93 0.05 -0.23 2.05 -4.23 -1.26 -4.94 115.64 105.15 1i7a s THR 66 Ca 0.43 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1i7a s THR 66 Cb -0.11 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.63 1i7a s THR 66 CO 0.27 -0.02 0.08 0.12 -0.54 0.00 0.00 174.62 174.54 1i7a s PHE 67 N -0.10 3.15 -0.14 3.99 5.36 -1.26 -4.18 117.98 124.80 1i7a s PHE 67 Ca -0.01 -0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1i7a s PHE 67 Cb -0.01 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1i7a s PHE 67 CO -0.00 -0.16 -0.12 0.99 -1.46 0.00 0.00 175.22 174.47 1i7a s THR 68 N 1.23 3.10 -0.56 0.12 2.01 0.80 -4.93 115.64 117.41 1i7a s THR 68 Ca 0.05 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 1i7a s THR 68 Cb -0.14 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.10 1i7a s THR 68 CO 0.04 0.52 0.90 -0.54 -0.69 0.00 0.00 174.62 174.84 1i7a s LYS 69 N 0.40 3.28 -0.02 4.92 1.02 -1.26 -0.43 119.74 127.65 1i7a s LYS 69 Ca -0.10 -0.42 0.10 0.00 0.02 0.00 0.00 55.97 55.58 1i7a s LYS 69 Cb -0.16 -4.08 0.32 0.00 -0.52 0.00 0.00 37.83 33.39 1i7a s LYS 69 CO 0.05 -1.48 1.22 0.25 -0.92 0.00 0.00 175.35 174.47 1i7a n THR 70 N 6.08 0.61 -3.75 2.17 -2.24 -0.95 -4.88 114.28 111.32 1i7a n THR 70 Ca -0.00 -0.49 0.03 0.00 -2.27 0.00 0.00 64.05 61.32 1i7a n THR 70 Cb 0.47 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1i7a n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i7a s SER 71 N -0.89 -0.01 -0.01 3.42 0.15 -1.12 -4.95 113.70 110.29 1i7a s SER 71 Ca 0.23 -0.08 0.13 0.00 0.70 0.00 0.00 55.95 56.93 1i7a s SER 71 Cb 0.13 0.08 0.39 0.00 -1.71 0.00 0.00 66.02 64.91 1i7a s SER 71 CO 0.14 -0.15 1.31 0.00 1.20 0.00 0.00 173.24 175.74 1i7a n GLN 72 N -0.67 2.13 0.00 5.44 3.00 -1.26 -3.75 117.38 122.27 1i7a n GLN 72 Ca -0.04 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.38 1i7a n GLN 72 Cb 0.62 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1i7a n GLN 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1i7a n LYS 73 N 0.72 0.00 -3.86 -1.09 5.02 -1.26 -3.80 118.16 113.89 1i7a n LYS 73 Ca 0.15 -0.28 -0.12 0.00 -2.02 0.00 0.00 58.31 56.04 1i7a n LYS 73 Cb 0.41 -0.46 -0.14 0.00 -0.02 0.00 0.00 35.03 34.82 1i7a n LYS 73 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1i7a s PHE 74 N 0.00 -0.04 0.14 2.13 5.36 -1.25 0.06 117.98 124.38 1i7a s PHE 74 Ca 0.00 0.10 -0.08 0.00 -0.96 0.00 0.00 56.93 55.99 1i7a s PHE 74 Cb 0.00 0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.68 1i7a s PHE 74 CO 0.00 -0.02 0.24 0.20 -1.46 0.00 0.00 175.22 174.18 1i7a s GLY 75 N 0.05 0.39 0.16 13.12 0.00 -1.00 -2.25 107.32 117.78 1i7a s GLY 75 Ca -0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 44.72 43.74 1i7a s GLY 75 CO -0.00 -0.86 0.40 -0.86 0.00 0.00 0.00 173.10 171.78 1i7a s GLN 76 N -3.94 1.19 -0.12 2.90 -2.07 0.43 -1.34 119.66 116.71 1i7a s GLN 76 Ca 0.14 -0.89 -0.22 0.00 -1.82 0.00 0.00 55.36 52.57 1i7a s GLN 76 Cb 0.04 0.46 0.05 0.00 -1.09 0.00 0.00 33.01 32.47 1i7a s GLN 76 CO -0.03 -0.47 0.54 1.67 -1.32 0.00 0.00 175.29 175.67 1i7a s TRP 77 N -3.87 -0.53 0.08 9.60 -2.14 -0.95 -0.14 118.94 120.99 1i7a s TRP 77 Ca 0.09 1.11 -0.15 0.00 2.66 0.00 0.00 56.10 59.81 1i7a s TRP 77 Cb 0.01 0.24 -0.06 0.00 -3.10 0.00 0.00 33.47 30.56 1i7a s TRP 77 CO -0.06 -0.41 0.50 0.00 -2.66 0.00 0.00 176.95 174.32 1i7a s ALA 78 N -0.50 3.63 -0.30 2.67 0.00 -1.26 -2.00 121.76 124.00 1i7a s ALA 78 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1i7a s ALA 78 Cb -0.03 -2.49 0.09 0.00 0.00 0.00 0.00 23.12 20.69 1i7a s ALA 78 CO 0.04 0.46 0.07 0.34 0.00 0.00 0.00 175.76 176.67 1i7a s ASP 79 N -1.37 4.13 0.14 0.00 -1.08 -0.17 -4.79 116.67 113.53 1i7a s ASP 79 Ca 0.31 -1.67 -0.15 0.00 -0.52 0.00 0.00 52.55 50.52 1i7a s ASP 79 Cb -0.17 -1.07 0.02 0.00 -1.46 0.00 0.00 42.92 40.24 1i7a s ASP 79 CO 0.17 -0.38 1.71 0.28 0.52 0.00 0.00 175.17 177.47 1i7a h SER 80 N 7.97 0.59 0.23 -0.34 0.02 -1.95 0.57 113.55 120.64 1i7a h SER 80 Ca -0.12 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 1i7a h SER 80 Cb 1.03 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1i7a h SER 80 CO 0.47 0.57 -0.34 0.03 -1.14 0.00 0.00 176.83 176.43 1i7a h ARG 81 N 0.57 -0.61 0.00 3.45 2.47 -1.95 -0.34 114.38 117.98 1i7a h ARG 81 Ca 0.15 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1i7a h ARG 81 Cb 0.15 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1i7a h ARG 81 CO -0.02 -0.41 0.00 0.00 0.56 0.00 0.00 179.97 180.11 1i7a h ALA 82 N -0.07 1.00 -5.71 0.04 0.00 -1.94 -3.47 119.26 109.11 1i7a h ALA 82 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1i7a h ALA 82 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1i7a h ALA 82 CO -0.13 0.00 -0.30 -1.71 0.00 0.00 0.00 179.25 177.11 1i7a n ASN 83 N -2.33 -7.08 -3.63 0.00 5.15 0.19 -5.02 115.26 102.54 1i7a n ASN 83 Ca 0.04 -0.25 -0.03 0.00 -0.60 0.00 0.00 54.58 53.73 1i7a n ASN 83 Cb 0.33 -4.41 -0.02 0.00 -0.53 0.00 0.00 39.78 35.15 1i7a n ASN 83 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1i7a s THR 84 N -2.95 0.00 -0.10 -0.44 -1.32 -0.57 -5.01 115.64 105.24 1i7a s THR 84 Ca 0.02 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1i7a s THR 84 Cb -0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1i7a s THR 84 CO 0.79 0.00 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.48 1i7a s VAL 85 N -1.96 4.07 -0.07 5.08 1.01 -1.26 -1.00 120.40 126.27 1i7a s VAL 85 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1i7a s VAL 85 Cb -0.01 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1i7a s VAL 85 CO -0.04 0.57 -0.05 -0.36 0.00 0.00 0.00 175.10 175.21 1i7a s PHE 86 N -0.48 2.98 -0.03 5.22 0.08 -0.85 -1.82 117.98 123.09 1i7a s PHE 86 Ca 0.08 0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.22 1i7a s PHE 86 Cb -0.12 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1i7a s PHE 86 CO 0.02 0.36 -0.12 0.20 -0.10 0.00 0.00 175.22 175.58 1i7a s GLY 87 N -0.82 0.66 -0.09 4.36 0.00 -0.20 -2.23 107.32 109.00 1i7a s GLY 87 Ca 0.13 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1i7a s GLY 87 CO 0.02 -0.18 -0.17 1.08 0.00 0.00 0.00 173.10 173.85 1i7a s LEU 88 N 0.14 2.55 -0.23 0.66 1.43 -0.45 -0.48 118.68 122.29 1i7a s LEU 88 Ca -0.03 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1i7a s LEU 88 Cb -0.10 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1i7a s LEU 88 CO 0.01 0.24 0.01 -0.83 0.23 0.00 0.00 176.35 176.00 1i7a s GLY 89 N -0.08 1.69 0.22 -3.19 0.00 0.97 -2.39 107.32 104.53 1i7a s GLY 89 Ca -0.03 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.61 1i7a s GLY 89 CO 0.04 0.43 0.31 -1.36 0.00 0.00 0.00 173.10 172.52 1i7a s PHE 90 N 1.44 3.39 -1.51 1.90 0.40 0.11 -1.38 117.98 122.33 1i7a s PHE 90 Ca 0.05 -0.00 0.27 0.00 -0.60 0.00 0.00 56.93 56.65 1i7a s PHE 90 Cb -0.15 -1.56 0.79 0.00 0.51 0.00 0.00 43.02 42.61 1i7a s PHE 90 CO 0.00 0.47 1.59 -1.13 0.70 0.00 0.00 175.22 176.86 1i7a n SER 91 N -1.11 0.75 -3.68 1.36 3.41 -1.26 -4.85 113.62 108.24 1i7a n SER 91 Ca -0.08 -0.61 -0.15 0.00 -0.26 0.00 0.00 58.87 57.77 1i7a n SER 91 Cb 0.56 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 1i7a n SER 91 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1i7a s SER 92 N -2.65 -0.43 0.30 4.04 1.04 -1.26 -5.04 113.70 109.71 1i7a s SER 92 Ca 0.21 0.58 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 1i7a s SER 92 Cb 0.19 0.62 0.48 0.00 0.10 0.00 0.00 66.02 67.42 1i7a s SER 92 CO 0.56 -0.39 1.96 -0.33 0.98 0.00 0.00 173.24 176.01 1i7a h GLU 93 N 4.17 1.04 -0.72 4.02 5.08 -1.91 -2.43 114.58 123.83 1i7a h GLU 93 Ca -0.28 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1i7a h GLU 93 Cb 1.17 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 1i7a h GLU 93 CO 0.32 0.69 0.44 1.25 -1.00 0.00 0.00 179.01 180.71 1i7a h LEU 94 N 1.07 0.71 0.13 1.33 7.12 -1.96 0.15 115.31 123.86 1i7a h LEU 94 Ca 0.32 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.33 1i7a h LEU 94 Cb -0.03 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 39.96 1i7a h LEU 94 CO -0.09 0.48 -0.06 1.56 -0.13 0.00 0.00 178.44 180.20 1i7a h GLN 95 N 0.84 -0.17 -0.83 1.25 4.20 -1.84 -0.47 115.11 118.10 1i7a h GLN 95 Ca 0.30 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.14 1i7a h GLN 95 Cb 0.07 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.80 1i7a h GLN 95 CO -0.13 -0.02 0.45 1.25 -0.67 0.00 0.00 178.83 179.71 1i7a h LEU 96 N -0.28 0.59 -0.72 1.46 5.85 -1.28 0.56 115.31 121.49 1i7a h LEU 96 Ca -0.02 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1i7a h LEU 96 Cb 0.22 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1i7a h LEU 96 CO 0.03 0.29 0.25 0.74 -0.34 0.00 0.00 178.44 179.41 1i7a h THR 97 N 0.69 1.26 -0.03 1.05 2.02 -0.32 -0.81 112.91 116.77 1i7a h THR 97 Ca 0.43 -0.85 -0.16 0.00 0.77 0.00 0.00 66.41 66.59 1i7a h THR 97 Cb 0.51 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1i7a h THR 97 CO -0.31 0.34 -0.72 0.11 0.37 0.00 0.00 175.52 175.31 1i7a h LYS 98 N 1.04 0.17 -0.22 6.66 1.57 -0.21 -2.41 116.57 123.18 1i7a h LYS 98 Ca 0.23 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1i7a h LYS 98 Cb 0.27 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1i7a h LYS 98 CO -0.01 0.81 -0.21 0.35 -0.57 0.00 0.00 179.45 179.82 1i7a h PHE 99 N 0.11 0.64 -0.01 -1.35 3.57 -0.63 -2.14 116.94 117.13 1i7a h PHE 99 Ca -0.02 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 1i7a h PHE 99 Cb 1.27 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1i7a h PHE 99 CO 0.02 0.87 -0.33 0.00 -2.23 0.00 0.00 178.31 176.64 1i7a h ALA 100 N 0.66 1.43 0.26 2.41 0.00 -1.17 -1.15 119.26 121.70 1i7a h ALA 100 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1i7a h ALA 100 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1i7a h ALA 100 CO 0.05 0.42 -0.12 1.49 0.00 0.00 0.00 179.25 181.09 1i7a h GLU 101 N 0.02 -0.33 -0.85 0.00 4.81 -1.31 -2.45 114.58 114.46 1i7a h GLU 101 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1i7a h GLU 101 Cb 0.59 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1i7a h GLU 101 CO 0.04 -0.00 0.56 0.87 -0.73 0.00 0.00 179.01 179.75 1i7a h LYS 102 N -0.71 0.94 -0.41 1.92 1.79 -1.20 -1.51 116.57 117.39 1i7a h LYS 102 Ca -0.04 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1i7a h LYS 102 Cb 0.48 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 1i7a h LYS 102 CO 0.06 0.62 0.19 0.35 -1.08 0.00 0.00 179.45 179.59 1i7a h PHE 103 N 0.97 0.34 0.21 -1.35 3.04 -1.10 0.75 116.94 119.81 1i7a h PHE 103 Ca 0.36 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 1i7a h PHE 103 Cb 0.19 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1i7a h PHE 103 CO -0.00 0.17 -0.10 0.37 -2.02 0.00 0.00 178.31 176.72 1i7a h GLN 104 N 0.38 -0.28 0.29 1.11 5.75 -0.81 -0.51 115.11 121.04 1i7a h GLN 104 Ca 0.18 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1i7a h GLN 104 Cb 0.11 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1i7a h GLN 104 CO -0.14 -0.14 -0.43 0.93 -2.65 0.00 0.00 178.83 176.39 1i7a h GLU 105 N -0.34 -0.75 -0.93 1.69 5.08 -1.10 0.67 114.58 118.89 1i7a h GLU 105 Ca -0.03 0.05 0.23 0.00 -1.00 0.00 0.00 59.36 58.62 1i7a h GLU 105 Cb 0.26 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.56 1i7a h GLU 105 CO 0.05 -0.50 0.45 0.28 -1.00 0.00 0.00 179.01 178.29 1i7a h VAL 106 N -0.78 0.48 -0.45 3.13 2.07 -0.76 0.36 116.25 120.30 1i7a h VAL 106 Ca -0.01 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1i7a h VAL 106 Cb 0.74 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1i7a h VAL 106 CO -0.15 0.08 -0.17 -0.09 0.02 0.00 0.00 177.57 177.26 1i7a h ARG 107 N 0.44 0.87 0.00 1.57 2.43 -0.14 -2.58 114.38 116.97 1i7a h ARG 107 Ca 0.59 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1i7a h ARG 107 Cb 1.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1i7a h ARG 107 CO -0.52 0.97 -0.25 0.93 -1.51 0.00 0.00 179.97 179.59 1i7a h GLU 108 N 0.77 0.00 0.00 0.20 5.08 0.19 -1.90 114.58 118.92 1i7a h GLU 108 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1i7a h GLU 108 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1i7a h GLU 108 CO 0.05 0.25 -0.14 0.00 -1.00 0.00 0.00 179.01 178.17 1i7a n ALA 109 N -2.31 2.54 0.69 3.43 0.00 -0.03 -3.12 120.51 121.70 1i7a n ALA 109 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1i7a n ALA 109 Cb 0.37 -1.39 0.21 0.00 0.00 0.00 0.00 19.45 18.64 1i7a n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i7a n ALA 110 N -1.64 3.06 0.17 0.00 0.00 -0.72 -5.09 120.51 116.29 1i7a n ALA 110 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.24 1i7a n ALA 110 Cb 0.38 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.75 1i7a n ALA 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04