#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 2.02 0.93 5.31 -1.52 -1.26 -5.14 119.66 120.00 1i7a s GLN 4 Ca 0.00 -2.19 -0.12 0.00 -1.95 0.00 0.00 55.36 51.10 1i7a s GLN 4 Cb 0.00 -1.59 0.15 0.00 -0.22 0.00 0.00 33.01 31.34 1i7a s GLN 4 CO 0.00 -0.14 1.09 -2.14 -0.25 0.00 0.00 175.29 173.85 1i7a s PRO 5 N -3.76 1.02 0.29 2.91 0.02 -1.26 -4.91 135.00 129.31 1i7a s PRO 5 Ca 0.27 0.77 0.01 0.00 0.02 0.00 0.00 61.00 62.07 1i7a s PRO 5 Cb 0.08 -1.79 0.53 0.00 0.02 0.00 0.00 34.50 33.34 1i7a s PRO 5 CO 0.14 -2.39 1.88 0.82 -0.33 0.00 0.00 177.00 177.11 1i7a h ILE 6 N -1.66 1.01 -1.91 2.83 1.08 -1.78 -3.44 117.51 113.65 1i7a h ILE 6 Ca -0.51 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 63.58 1i7a h ILE 6 Cb 1.29 -0.11 -0.20 0.00 -3.07 0.00 0.00 36.82 34.74 1i7a h ILE 6 CO 0.55 0.19 0.26 0.12 -0.69 0.00 0.00 178.15 178.58 1i7a s PHE 7 N -5.93 -0.61 -0.07 1.37 5.36 -1.26 -4.98 117.98 111.86 1i7a s PHE 7 Ca -0.12 1.09 -0.07 0.00 -0.96 0.00 0.00 56.93 56.86 1i7a s PHE 7 Cb 0.21 0.41 0.02 0.00 -0.34 0.00 0.00 43.02 43.31 1i7a s PHE 7 CO 0.80 -0.54 0.20 0.99 -1.46 0.00 0.00 175.22 175.22 1i7a s THR 8 N -1.05 0.01 0.37 0.12 2.01 -1.26 -2.00 115.64 113.84 1i7a s THR 8 Ca -0.08 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1i7a s THR 8 Cb -0.00 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1i7a s THR 8 CO 0.08 -0.05 0.56 0.28 -0.69 0.00 0.00 174.62 174.79 1i7a s THR 9 N -0.10 0.00 -0.05 -0.82 -1.32 -0.80 -5.01 115.64 107.54 1i7a s THR 9 Ca -0.02 -1.47 0.02 0.00 -1.21 0.00 0.00 61.69 59.01 1i7a s THR 9 Cb -0.02 -2.76 0.02 0.00 -1.51 0.00 0.00 72.50 68.22 1i7a s THR 9 CO 0.01 0.00 -0.08 -0.13 -2.21 0.00 0.00 174.62 172.21 1i7a s ARG 10 N -2.72 1.12 0.25 7.08 0.52 -1.26 -1.46 118.95 122.48 1i7a s ARG 10 Ca 0.28 -0.24 -0.20 0.00 -0.52 0.00 0.00 55.73 55.05 1i7a s ARG 10 Cb -0.02 -1.02 0.03 0.00 0.52 0.00 0.00 34.95 34.46 1i7a s ARG 10 CO 0.20 -0.01 0.66 0.00 0.02 0.00 0.00 175.30 176.17 1i7a s ALA 11 N 0.69 -1.15 -0.02 2.13 0.00 -0.39 -4.48 121.76 118.53 1i7a s ALA 11 Ca -0.11 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1i7a s ALA 11 Cb -0.14 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 1i7a s ALA 11 CO 0.01 -0.96 0.45 -1.01 0.00 0.00 0.00 175.76 174.25 1i7a s HIS 12 N -3.90 3.68 -0.02 0.00 3.76 -0.82 -0.49 115.29 117.49 1i7a s HIS 12 Ca 0.10 1.00 -0.02 0.00 -0.15 0.00 0.00 55.06 56.00 1i7a s HIS 12 Cb -0.04 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1i7a s HIS 12 CO 0.03 0.51 0.11 0.08 -0.85 0.00 0.00 174.74 174.62 1i7a s VAL 13 N -0.61 5.00 0.32 -0.90 1.01 -1.26 -1.12 120.40 122.84 1i7a s VAL 13 Ca 0.25 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1i7a s VAL 13 Cb -0.17 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1i7a s VAL 13 CO 0.13 0.38 0.21 -0.36 0.00 0.00 0.00 175.10 175.47 1i7a s PHE 14 N -1.20 1.65 -0.17 5.22 0.40 0.67 -0.76 117.98 123.80 1i7a s PHE 14 Ca 0.23 -1.52 -0.33 0.00 -0.60 0.00 0.00 56.93 54.71 1i7a s PHE 14 Cb -0.12 -0.79 0.14 0.00 0.51 0.00 0.00 43.02 42.76 1i7a s PHE 14 CO 0.14 -0.69 1.15 1.14 0.70 0.00 0.00 175.22 177.66 1i7a s GLN 15 N -3.65 0.40 0.26 0.44 -2.07 -0.79 -1.58 119.66 112.67 1i7a s GLN 15 Ca 0.37 -0.10 0.11 0.00 -1.82 0.00 0.00 55.36 53.91 1i7a s GLN 15 Cb 0.03 0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 32.09 1i7a s GLN 15 CO 0.22 -0.16 -0.11 0.42 -1.32 0.00 0.00 175.29 174.34 1i7a s ILE 16 N -2.25 2.95 0.02 3.63 1.01 -0.88 -1.49 121.20 124.19 1i7a s ILE 16 Ca 0.07 -2.13 0.03 0.00 0.00 0.00 0.00 60.65 58.62 1i7a s ILE 16 Cb -0.01 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1i7a s ILE 16 CO -0.05 -0.36 -0.01 0.20 0.00 0.00 0.00 174.94 174.72 1i7a s ASN 23 N -3.51 5.00 -0.18 3.58 -0.87 -1.26 -3.37 114.94 114.34 1i7a s ASN 23 Ca 0.30 -0.08 -0.12 0.00 -1.57 0.00 0.00 52.86 51.39 1i7a s ASN 23 Cb -0.06 -1.25 0.05 0.00 -0.02 0.00 0.00 41.25 39.96 1i7a s ASN 23 CO 0.17 0.25 0.24 0.79 -2.57 0.00 0.00 177.10 175.99 1i7a n TRP 24 N 1.21 -4.40 -4.78 2.20 5.03 -1.25 -5.06 117.44 110.39 1i7a n TRP 24 Ca -0.14 2.57 -0.24 0.00 3.03 0.00 0.00 57.50 62.71 1i7a n TRP 24 Cb 0.52 -3.87 -0.15 0.00 -1.03 0.00 0.00 31.31 26.78 1i7a n TRP 24 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 1i7a s VAL 25 N -0.64 1.31 0.48 -0.99 0.11 -0.56 -4.90 120.40 115.21 1i7a s VAL 25 Ca -0.28 -0.69 -0.24 0.00 -2.93 0.00 0.00 61.98 57.83 1i7a s VAL 25 Cb 0.02 -1.11 -0.07 0.00 -1.53 0.00 0.00 36.38 33.69 1i7a s VAL 25 CO 0.76 0.38 1.40 -0.81 -3.33 0.00 0.00 175.10 173.50 1i7a n PRO 26 N 2.84 2.07 0.00 1.54 -0.04 -1.26 -1.89 135.00 138.26 1i7a n PRO 26 Ca -0.16 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1i7a n PRO 26 Cb 0.54 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1i7a n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i7a n ALA 27 N -0.46 1.98 -2.42 0.55 0.00 0.06 -4.88 120.51 115.34 1i7a n ALA 27 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 1i7a n ALA 27 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.82 2.70 0.39 0.00 1.04 -1.22 -4.93 113.70 110.85 1i7a s SER 28 Ca 0.00 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 55.97 1i7a s SER 28 Cb 0.00 -0.25 0.77 0.00 0.10 0.00 0.00 66.02 66.64 1i7a s SER 28 CO 0.00 0.21 2.02 0.11 0.98 0.00 0.00 173.24 176.57 1i7a h LYS 29 N 5.00 0.61 0.00 4.02 1.57 -1.95 -3.46 116.57 122.36 1i7a h LYS 29 Ca -0.43 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1i7a h LYS 29 Cb 1.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1i7a h LYS 29 CO 0.45 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.76 1i7a n GLN 30 N -4.44 0.00 -2.40 3.15 0.00 -1.26 -5.12 117.38 107.31 1i7a n GLN 30 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.62 1i7a n GLN 30 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.29 1i7a n GLN 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1i7a s ALA 31 N -1.23 3.41 0.26 2.61 0.00 -1.26 -4.61 121.76 120.95 1i7a s ALA 31 Ca 0.00 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1i7a s ALA 31 Cb 0.00 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1i7a s ALA 31 CO 0.00 -0.42 -0.05 0.14 0.00 0.00 0.00 175.76 175.43 1i7a s VAL 32 N 0.83 1.48 0.23 0.00 -7.23 0.35 -4.84 120.40 111.22 1i7a s VAL 32 Ca 0.58 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 1i7a s VAL 32 Cb -0.30 -2.39 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 1i7a s VAL 32 CO 0.31 -0.33 1.13 -0.89 -0.31 0.00 0.00 175.10 175.00 1i7a s THR 33 N -3.12 3.58 -0.09 5.32 2.01 -1.26 -1.26 115.64 120.82 1i7a s THR 33 Ca 0.29 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.75 1i7a s THR 33 Cb 0.04 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.64 1i7a s THR 33 CO 0.11 0.30 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.58 1i7a s VAL 34 N -0.66 0.85 0.17 3.82 1.01 -0.54 -4.17 120.40 120.88 1i7a s VAL 34 Ca 0.48 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1i7a s VAL 34 Cb -0.32 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1i7a s VAL 34 CO 0.39 0.32 -0.04 -0.44 0.00 0.00 0.00 175.10 175.33 1i7a s SER 35 N 1.43 1.51 -0.17 3.32 0.01 -0.57 -1.91 113.70 117.31 1i7a s SER 35 Ca -0.01 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 56.06 1i7a s SER 35 Cb -0.13 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 1i7a s SER 35 CO -0.04 -0.48 0.03 -0.31 0.41 0.00 0.00 173.24 172.85 1i7a s TYR 36 N -3.51 3.19 0.08 2.43 1.51 -0.85 -0.61 117.35 119.60 1i7a s TYR 36 Ca 0.22 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.29 1i7a s TYR 36 Cb 0.05 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1i7a s TYR 36 CO 0.03 0.10 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.39 1i7a s PHE 37 N 0.36 1.14 -0.42 2.71 0.08 -0.15 -1.89 117.98 119.81 1i7a s PHE 37 Ca 0.01 -0.53 -0.20 0.00 0.12 0.00 0.00 56.93 56.34 1i7a s PHE 37 Cb -0.13 -0.63 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 1i7a s PHE 37 CO 0.01 0.04 0.59 -0.47 -0.10 0.00 0.00 175.22 175.29 1i7a s TYR 38 N -1.69 3.11 -1.31 0.36 5.04 -1.26 0.01 117.35 121.60 1i7a s TYR 38 Ca 0.00 -0.05 -0.18 0.00 -2.44 0.00 0.00 57.07 54.41 1i7a s TYR 38 Cb -0.08 -3.19 0.05 0.00 0.35 0.00 0.00 41.96 39.10 1i7a s TYR 38 CO 0.02 -0.78 1.82 -3.47 -1.34 0.00 0.00 175.55 171.80 1i7a n ASP 39 N 6.06 4.67 -0.33 4.32 -0.08 0.36 -4.84 116.55 126.70 1i7a n ASP 39 Ca -0.03 -2.89 0.26 0.00 -1.51 0.00 0.00 54.79 50.62 1i7a n ASP 39 Cb 0.48 -1.73 0.49 0.00 2.34 0.00 0.00 41.12 42.70 1i7a n ASP 39 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1i7a h VAL 40 N 5.38 0.03 0.03 5.18 -1.51 -1.94 0.30 116.25 123.73 1i7a h VAL 40 Ca 0.45 -0.01 -0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1i7a h VAL 40 Cb 0.84 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 1i7a h VAL 40 CO 1.51 0.01 -0.01 0.71 -1.23 0.00 0.00 177.57 178.55 1i7a h THR 41 N 0.03 1.17 -0.01 7.19 1.35 -1.95 -3.05 112.91 117.64 1i7a h THR 41 Ca 0.76 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1i7a h THR 41 Cb 1.90 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1i7a h THR 41 CO -0.80 0.15 -0.08 0.54 -0.25 0.00 0.00 175.52 175.09 1i7a n ARG 42 N -4.98 1.09 -3.33 4.72 1.74 -0.49 -4.97 116.66 110.44 1i7a n ARG 42 Ca -0.08 -0.48 -0.14 0.00 -0.77 0.00 0.00 57.85 56.39 1i7a n ARG 42 Cb 0.16 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.53 -6.63 -3.45 0.55 3.02 0.95 -5.01 115.26 104.16 1i7a n ASN 43 Ca 0.17 -0.54 -0.02 0.00 -0.03 0.00 0.00 54.58 54.16 1i7a n ASN 43 Cb 0.28 -4.42 0.02 0.00 -0.61 0.00 0.00 39.78 35.05 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 -3.19 0.01 -0.12 6.41 1.04 -1.19 -5.00 113.70 111.65 1i7a s SER 44 Ca 0.22 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 1i7a s SER 44 Cb -0.05 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1i7a s SER 44 CO 0.79 -0.85 0.06 -0.31 0.98 0.00 0.00 173.24 173.91 1i7a s TYR 45 N -2.13 3.31 -0.02 5.02 1.51 -1.26 0.13 117.35 123.91 1i7a s TYR 45 Ca 0.24 0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 1i7a s TYR 45 Cb -0.02 -1.91 -0.00 0.00 -0.11 0.00 0.00 41.96 39.92 1i7a s TYR 45 CO 0.04 0.46 -0.10 0.50 -1.11 0.00 0.00 175.55 175.34 1i7a s ARG 46 N -0.59 0.96 -0.25 -0.62 3.52 0.10 -2.01 118.95 120.07 1i7a s ARG 46 Ca 0.11 -0.34 -0.20 0.00 -0.13 0.00 0.00 55.73 55.17 1i7a s ARG 46 Cb -0.12 -0.90 -0.02 0.00 -1.56 0.00 0.00 34.95 32.35 1i7a s ARG 46 CO 0.02 0.15 0.60 0.42 -0.81 0.00 0.00 175.30 175.68 1i7a s ILE 47 N 0.07 5.01 -0.05 4.11 1.01 0.36 -0.98 121.20 130.73 1i7a s ILE 47 Ca -0.01 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.75 1i7a s ILE 47 Cb -0.07 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 1i7a s ILE 47 CO 0.00 0.05 -0.19 -0.63 0.00 0.00 0.00 174.94 174.17 1i7a s ILE 48 N 2.39 1.62 -0.07 2.92 1.01 0.22 -1.13 121.20 128.17 1i7a s ILE 48 Ca 0.25 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1i7a s ILE 48 Cb -0.16 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 40.96 1i7a s ILE 48 CO 0.09 0.46 0.16 -0.55 0.00 0.00 0.00 174.94 175.10 1i7a s SER 49 N 0.03 -0.14 0.20 3.58 0.15 0.21 -1.51 113.70 116.21 1i7a s SER 49 Ca -0.05 0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.02 1i7a s SER 49 Cb -0.13 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 1i7a s SER 49 CO 0.03 -0.14 -0.17 0.68 1.20 0.00 0.00 173.24 174.85 1i7a s VAL 50 N 1.03 1.87 -0.26 4.45 -7.23 -1.26 -1.14 120.40 117.85 1i7a s VAL 50 Ca -0.08 -2.11 -0.01 0.00 -1.81 0.00 0.00 61.98 57.97 1i7a s VAL 50 Cb -0.10 -1.99 0.13 0.00 0.56 0.00 0.00 36.38 34.98 1i7a s VAL 50 CO -0.05 -0.45 0.31 -0.62 -0.31 0.00 0.00 175.10 173.97 1i7a s ASP 51 N -3.07 1.20 1.42 4.85 2.15 -0.08 -4.62 116.67 118.52 1i7a s ASP 51 Ca 0.21 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.77 1i7a s ASP 51 Cb -0.03 0.67 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 1i7a s ASP 51 CO 0.08 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 1i7a n GLY 52 N 5.33 2.79 1.06 2.66 0.00 -1.26 -2.15 105.19 113.62 1i7a n GLY 52 Ca -0.03 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 10.73 2.41 -2.44 4.61 0.00 -1.26 -4.94 120.51 129.62 1i7a n ALA 53 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 53.44 52.20 1i7a n ALA 53 Cb 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.24 1.42 -0.29 0.00 1.02 -0.91 -5.10 119.74 114.64 1i7a s LYS 54 Ca 0.38 -1.53 -0.04 0.00 0.02 0.00 0.00 55.97 54.81 1i7a s LYS 54 Cb 0.20 -1.52 0.03 0.00 -0.52 0.00 0.00 37.83 36.03 1i7a s LYS 54 CO 0.26 0.30 0.02 0.54 -0.92 0.00 0.00 175.35 175.55 1i7a s VAL 55 N -2.15 3.29 -0.14 3.17 0.11 -1.26 -0.90 120.40 122.52 1i7a s VAL 55 Ca 0.20 -1.10 0.19 0.00 -2.93 0.00 0.00 61.98 58.34 1i7a s VAL 55 Cb -0.06 -2.79 -0.13 0.00 -1.53 0.00 0.00 36.38 31.87 1i7a s VAL 55 CO 0.09 0.00 0.79 2.30 -3.33 0.00 0.00 175.10 174.95 1i7a n ILE 56 N 4.72 0.98 -4.14 7.04 -5.35 -0.29 -4.86 119.36 117.46 1i7a n ILE 56 Ca -0.14 -0.66 -0.20 0.00 -0.27 0.00 0.00 62.75 61.48 1i7a n ILE 56 Cb 0.45 -0.57 -0.16 0.00 -1.74 0.00 0.00 39.64 37.62 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 -3.04 0.53 -0.46 7.28 1.01 -0.82 -4.97 121.20 120.73 1i7a s ILE 57 Ca -0.03 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1i7a s ILE 57 Cb 0.09 -0.56 0.24 0.00 0.01 0.00 0.00 42.46 42.23 1i7a s ILE 57 CO 0.82 0.23 0.75 -3.20 0.00 0.00 0.00 174.94 173.53 1i7a n ASN 58 N 4.10 -1.92 -4.52 3.58 4.05 -1.19 -0.62 115.26 118.76 1i7a n ASN 58 Ca -0.24 -3.06 -0.34 0.00 0.45 0.00 0.00 54.58 51.39 1i7a n ASN 58 Cb 0.51 0.99 -0.12 0.00 1.23 0.00 0.00 39.78 42.39 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 -1.33 4.67 -0.10 1.20 0.15 -0.28 -4.93 113.70 113.08 1i7a s SER 59 Ca 0.33 -0.11 -0.21 0.00 0.70 0.00 0.00 55.95 56.66 1i7a s SER 59 Cb 0.19 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1i7a s SER 59 CO -0.19 0.24 0.60 -0.89 1.20 0.00 0.00 173.24 174.20 1i7a s THR 60 N -0.05 5.10 -0.55 6.45 2.01 -1.26 -0.49 115.64 126.85 1i7a s THR 60 Ca 0.01 1.21 -0.21 0.00 0.31 0.00 0.00 61.69 63.01 1i7a s THR 60 Cb -0.13 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.50 1i7a s THR 60 CO 0.03 0.26 0.76 -0.63 -0.69 0.00 0.00 174.62 174.35 1i7a s ILE 61 N 0.87 4.67 0.09 1.82 -1.09 -0.85 -4.99 121.20 121.72 1i7a s ILE 61 Ca 0.32 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1i7a s ILE 61 Cb -0.16 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.23 1i7a s ILE 61 CO 0.14 -1.03 0.23 0.42 -1.23 0.00 0.00 174.94 173.47 1i7a s THR 62 N 3.15 5.37 0.41 2.92 -4.23 -1.26 -4.70 115.64 117.30 1i7a s THR 62 Ca 0.19 -0.45 0.20 0.00 -1.18 0.00 0.00 61.69 60.45 1i7a s THR 62 Cb -0.18 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.40 1i7a s THR 62 CO 0.12 0.08 1.78 -0.65 -0.54 0.00 0.00 174.62 175.41 1i7a h PRO 63 N 2.83 0.35 -0.05 3.99 0.11 -1.87 -0.70 132.00 136.67 1i7a h PRO 63 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1i7a h PRO 63 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1i7a h PRO 63 CO 0.74 0.23 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 1i7a n ASN 64 N -4.59 0.43 -4.86 -2.05 2.04 -1.26 -4.83 115.26 100.14 1i7a n ASN 64 Ca 0.25 -1.56 -0.34 0.00 -0.44 0.00 0.00 54.58 52.49 1i7a n ASN 64 Cb 0.90 -0.03 -0.06 0.00 -2.53 0.00 0.00 39.78 38.06 1i7a n ASN 64 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1i7a s MET 65 N -1.94 3.86 0.01 -3.83 -1.94 -0.27 -5.09 119.30 110.10 1i7a s MET 65 Ca 0.26 0.32 0.04 0.00 -1.71 0.00 0.00 55.69 54.60 1i7a s MET 65 Cb 0.12 -2.87 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 1i7a s MET 65 CO 0.20 0.45 -0.11 0.95 -0.01 0.00 0.00 175.02 176.50 1i7a s THR 66 N -1.55 0.90 -0.20 2.05 -4.23 -1.26 -4.95 115.64 106.39 1i7a s THR 66 Ca 0.39 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 60.18 1i7a s THR 66 Cb -0.14 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1i7a s THR 66 CO 0.20 0.13 0.06 0.12 -0.54 0.00 0.00 174.62 174.59 1i7a s PHE 67 N -0.50 3.17 -0.08 3.99 5.36 -1.26 -4.33 117.98 124.32 1i7a s PHE 67 Ca 0.02 -0.13 0.05 0.00 -0.96 0.00 0.00 56.93 55.91 1i7a s PHE 67 Cb -0.06 -2.13 -0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1i7a s PHE 67 CO 0.00 -0.05 -0.23 0.99 -1.46 0.00 0.00 175.22 174.47 1i7a s THR 68 N 0.82 1.98 -0.42 0.12 2.01 0.48 -4.94 115.64 115.70 1i7a s THR 68 Ca 0.03 -0.99 -0.23 0.00 0.31 0.00 0.00 61.69 60.81 1i7a s THR 68 Cb -0.14 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.69 1i7a s THR 68 CO 0.02 0.54 0.77 -0.54 -0.69 0.00 0.00 174.62 174.73 1i7a s LYS 69 N 0.19 3.51 0.00 4.92 3.01 -1.26 -0.32 119.74 129.80 1i7a s LYS 69 Ca -0.13 0.01 0.25 0.00 -1.01 0.00 0.00 55.97 55.09 1i7a s LYS 69 Cb -0.16 -3.90 0.60 0.00 -1.01 0.00 0.00 37.83 33.36 1i7a s LYS 69 CO 0.07 -1.02 1.49 0.25 0.51 0.00 0.00 175.35 176.65 1i7a n THR 70 N 6.01 0.11 -3.83 2.17 -2.24 0.13 -4.95 114.28 111.67 1i7a n THR 70 Ca 0.02 -0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 1i7a n THR 70 Cb 0.48 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1i7a n THR 70 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1i7a s SER 71 N -1.86 -0.12 0.35 3.42 0.01 -0.91 -4.94 113.70 109.65 1i7a s SER 71 Ca 0.34 -0.85 0.08 0.00 1.31 0.00 0.00 55.95 56.83 1i7a s SER 71 Cb 0.20 0.76 0.65 0.00 0.21 0.00 0.00 66.02 67.85 1i7a s SER 71 CO 0.31 -1.46 1.84 0.06 0.41 0.00 0.00 173.24 174.40 1i7a h GLN 72 N 2.00 0.28 0.00 12.44 3.07 -2.01 -3.20 115.11 127.69 1i7a h GLN 72 Ca -0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 58.65 58.38 1i7a h GLN 72 Cb 1.25 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 28.73 1i7a h GLN 72 CO 0.32 0.48 -0.39 1.63 0.09 0.00 0.00 178.83 180.96 1i7a n LYS 73 N -4.20 1.13 -3.76 0.06 5.02 -1.26 -4.39 118.16 110.75 1i7a n LYS 73 Ca -0.01 -2.66 -0.17 0.00 -2.02 0.00 0.00 58.31 53.46 1i7a n LYS 73 Cb 0.33 -1.27 -0.17 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.40 0.08 0.15 2.13 2.19 -1.21 -0.83 117.98 118.10 1i7a s PHE 74 Ca 0.32 0.14 0.02 0.00 0.33 0.00 0.00 56.93 57.74 1i7a s PHE 74 Cb 0.30 -0.33 -0.05 0.00 -1.31 0.00 0.00 43.02 41.64 1i7a s PHE 74 CO -0.04 -0.12 -0.04 0.20 1.83 0.00 0.00 175.22 177.05 1i7a s GLY 75 N 1.36 1.09 0.18 13.12 0.00 -0.63 -0.69 107.32 121.74 1i7a s GLY 75 Ca -0.05 -1.52 -0.17 0.00 0.00 0.00 0.00 44.72 42.98 1i7a s GLY 75 CO -0.03 -1.53 0.49 -0.86 0.00 0.00 0.00 173.10 171.16 1i7a s GLN 76 N -3.85 1.29 -0.05 2.90 -2.07 0.57 -0.12 119.66 118.33 1i7a s GLN 76 Ca 0.19 -0.83 -0.28 0.00 -1.82 0.00 0.00 55.36 52.63 1i7a s GLN 76 Cb 0.05 0.50 0.06 0.00 -1.09 0.00 0.00 33.01 32.54 1i7a s GLN 76 CO 0.01 -0.54 0.61 1.67 -1.32 0.00 0.00 175.29 175.73 1i7a s TRP 77 N -3.86 -0.57 -0.15 9.60 -2.14 -0.80 -0.38 118.94 120.63 1i7a s TRP 77 Ca 0.08 0.99 -0.08 0.00 2.66 0.00 0.00 56.10 59.75 1i7a s TRP 77 Cb -0.00 0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 30.67 1i7a s TRP 77 CO -0.05 -0.56 0.13 0.00 -2.66 0.00 0.00 176.95 173.80 1i7a s ALA 78 N -1.17 3.76 -0.26 2.67 0.00 -1.26 -1.27 121.76 124.24 1i7a s ALA 78 Ca -0.11 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1i7a s ALA 78 Cb -0.01 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 21.13 1i7a s ALA 78 CO 0.09 0.42 -0.09 0.34 0.00 0.00 0.00 175.76 176.52 1i7a s ASP 79 N -0.42 4.38 0.03 0.00 2.15 -0.40 -4.84 116.67 117.58 1i7a s ASP 79 Ca 0.12 -1.19 -0.20 0.00 0.43 0.00 0.00 52.55 51.71 1i7a s ASP 79 Cb -0.12 -1.60 -0.16 0.00 -0.30 0.00 0.00 42.92 40.75 1i7a s ASP 79 CO 0.01 -0.17 1.29 0.28 -0.17 0.00 0.00 175.17 176.41 1i7a h SER 80 N 7.89 0.44 -0.24 -0.34 0.02 -1.97 -0.40 113.55 118.95 1i7a h SER 80 Ca -0.25 -0.55 0.07 0.00 -0.84 0.00 0.00 61.79 60.22 1i7a h SER 80 Cb 1.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1i7a h SER 80 CO 0.52 0.90 0.27 0.03 -1.14 0.00 0.00 176.83 177.40 1i7a h ARG 81 N -0.01 0.00 -0.00 3.45 3.08 -1.96 0.60 114.38 119.54 1i7a h ARG 81 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1i7a h ARG 81 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1i7a h ARG 81 CO 0.05 0.00 -0.59 0.00 -1.07 0.00 0.00 179.97 178.36 1i7a n ALA 82 N -2.32 3.72 -3.62 0.04 0.00 -1.17 -5.01 120.51 112.15 1i7a n ALA 82 Ca 0.03 -0.46 -0.24 0.00 0.00 0.00 0.00 53.44 52.77 1i7a n ALA 82 Cb 0.40 -0.55 0.04 0.00 0.00 0.00 0.00 19.45 19.34 1i7a n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1i7a n ASN 83 N -0.97 -3.47 -3.50 0.00 5.15 0.20 -4.99 115.26 107.69 1i7a n ASN 83 Ca 0.04 -0.87 -0.09 0.00 -0.60 0.00 0.00 54.58 53.06 1i7a n ASN 83 Cb 0.27 -4.02 -0.02 0.00 -0.53 0.00 0.00 39.78 35.47 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 -3.56 0.00 -0.15 -0.44 -1.32 -0.79 -5.04 115.64 104.33 1i7a s THR 84 Ca 0.24 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.68 1i7a s THR 84 Cb -0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 1i7a s THR 84 CO 0.82 0.00 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.52 1i7a s VAL 85 N -2.96 4.09 -0.18 5.08 1.01 -1.22 -1.28 120.40 124.95 1i7a s VAL 85 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1i7a s VAL 85 Cb -0.01 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1i7a s VAL 85 CO -0.08 0.50 0.06 -0.36 0.00 0.00 0.00 175.10 175.22 1i7a s PHE 86 N 0.21 3.26 -0.02 5.22 0.08 -0.40 -2.07 117.98 124.26 1i7a s PHE 86 Ca -0.01 0.09 0.08 0.00 0.12 0.00 0.00 56.93 57.21 1i7a s PHE 86 Cb -0.13 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1i7a s PHE 86 CO 0.02 0.19 -0.25 0.20 -0.10 0.00 0.00 175.22 175.28 1i7a s GLY 87 N 0.26 1.29 -0.09 4.36 0.00 -0.61 -1.91 107.32 110.61 1i7a s GLY 87 Ca 0.04 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1i7a s GLY 87 CO 0.00 -0.92 -0.15 1.08 0.00 0.00 0.00 173.10 173.11 1i7a s LEU 88 N -0.63 1.73 -0.41 0.66 1.43 0.83 -0.24 118.68 122.06 1i7a s LEU 88 Ca 0.10 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1i7a s LEU 88 Cb -0.10 -1.04 0.09 0.00 0.03 0.00 0.00 46.19 45.16 1i7a s LEU 88 CO -0.01 0.03 0.23 -0.83 0.23 0.00 0.00 176.35 176.00 1i7a s GLY 89 N 0.84 1.96 0.82 -3.19 0.00 -0.28 -1.61 107.32 105.86 1i7a s GLY 89 Ca -0.10 -2.23 -0.12 0.00 0.00 0.00 0.00 44.72 42.28 1i7a s GLY 89 CO 0.01 0.96 1.18 -1.36 0.00 0.00 0.00 173.10 173.90 1i7a s PHE 90 N 1.34 2.67 -2.24 1.90 0.40 -0.01 -1.95 117.98 120.09 1i7a s PHE 90 Ca 0.03 0.61 0.21 0.00 -0.60 0.00 0.00 56.93 57.18 1i7a s PHE 90 Cb -0.23 -3.57 0.35 0.00 0.51 0.00 0.00 43.02 40.08 1i7a s PHE 90 CO 0.00 -1.89 1.30 -1.13 0.70 0.00 0.00 175.22 174.20 1i7a n SER 91 N -3.34 3.19 -3.63 1.36 3.41 -1.26 -4.91 113.62 108.43 1i7a n SER 91 Ca 0.09 -1.93 -0.11 0.00 -0.26 0.00 0.00 58.87 56.66 1i7a n SER 91 Cb 0.61 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.42 -0.56 0.45 4.04 1.04 -1.26 -5.03 113.70 110.96 1i7a s SER 92 Ca 0.33 1.06 0.12 0.00 0.48 0.00 0.00 55.95 57.94 1i7a s SER 92 Cb 0.20 1.07 1.00 0.00 0.10 0.00 0.00 66.02 68.39 1i7a s SER 92 CO 0.28 -0.20 2.05 -0.33 0.98 0.00 0.00 173.24 176.02 1i7a h GLU 93 N 4.43 0.21 -0.36 4.02 5.08 -1.92 -2.33 114.58 123.71 1i7a h GLU 93 Ca -0.28 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1i7a h GLU 93 Cb 1.17 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1i7a h GLU 93 CO 0.10 0.21 0.12 1.25 -1.00 0.00 0.00 179.01 179.69 1i7a h LEU 94 N 0.21 0.12 -0.52 1.33 5.85 -1.96 -0.92 115.31 119.42 1i7a h LEU 94 Ca 0.05 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1i7a h LEU 94 Cb 0.11 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1i7a h LEU 94 CO -0.00 0.10 0.23 1.56 -0.34 0.00 0.00 178.44 179.99 1i7a h GLN 95 N 0.26 0.44 -0.40 1.25 4.20 -1.83 -1.69 115.11 117.33 1i7a h GLN 95 Ca 0.16 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1i7a h GLN 95 Cb 0.15 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1i7a h GLN 95 CO -0.18 0.29 0.24 1.25 -0.67 0.00 0.00 178.83 179.77 1i7a h LEU 96 N 0.45 0.48 -0.49 1.46 6.46 -1.27 -0.72 115.31 121.68 1i7a h LEU 96 Ca 0.24 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1i7a h LEU 96 Cb 0.20 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1i7a h LEU 96 CO -0.20 0.39 0.30 0.74 -0.62 0.00 0.00 178.44 179.05 1i7a h THR 97 N 0.53 1.15 -0.56 1.05 2.02 -0.90 0.81 112.91 117.01 1i7a h THR 97 Ca 0.14 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1i7a h THR 97 Cb -0.00 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1i7a h THR 97 CO -0.03 0.15 0.35 0.11 0.37 0.00 0.00 175.52 176.47 1i7a h LYS 98 N 0.66 0.75 -0.73 6.66 1.79 -1.09 0.33 116.57 124.93 1i7a h LYS 98 Ca 0.18 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1i7a h LYS 98 Cb -0.02 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.44 1i7a h LYS 98 CO -0.03 0.52 0.31 0.35 -1.08 0.00 0.00 179.45 179.52 1i7a h PHE 99 N 0.75 1.09 0.00 -1.35 3.57 -0.70 -1.32 116.94 118.99 1i7a h PHE 99 Ca 0.20 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.50 1i7a h PHE 99 Cb -0.04 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 1i7a h PHE 99 CO -0.03 0.83 -0.61 0.00 -2.23 0.00 0.00 178.31 176.26 1i7a h ALA 100 N 1.15 0.96 -0.32 2.41 0.00 -0.37 -1.29 119.26 121.81 1i7a h ALA 100 Ca 0.25 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1i7a h ALA 100 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1i7a h ALA 100 CO -0.02 0.77 -0.22 0.93 0.00 0.00 0.00 179.25 180.70 1i7a h GLU 101 N 0.00 0.71 -0.36 0.00 5.08 0.10 -2.18 114.58 117.93 1i7a h GLU 101 Ca -0.01 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.90 1i7a h GLU 101 Cb 1.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1i7a h GLU 101 CO 0.08 0.95 -0.24 0.87 -1.00 0.00 0.00 179.01 179.67 1i7a h LYS 102 N 0.47 0.71 -0.18 2.33 1.79 -1.13 -0.99 116.57 119.57 1i7a h LYS 102 Ca 0.06 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1i7a h LYS 102 Cb 0.78 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1i7a h LYS 102 CO 0.06 0.88 0.10 0.35 -1.08 0.00 0.00 179.45 179.76 1i7a h PHE 103 N 0.62 0.25 0.14 -1.35 3.04 -1.19 0.27 116.94 118.72 1i7a h PHE 103 Ca 0.09 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1i7a h PHE 103 Cb 0.73 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1i7a h PHE 103 CO 0.03 0.23 -0.07 0.37 -2.02 0.00 0.00 178.31 176.86 1i7a h GLN 104 N 0.19 -0.19 -0.53 1.11 5.75 -1.22 -0.54 115.11 119.68 1i7a h GLN 104 Ca 0.06 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1i7a h GLN 104 Cb 0.07 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1i7a h GLN 104 CO -0.01 -0.12 0.32 1.49 -2.65 0.00 0.00 178.83 177.86 1i7a h GLU 105 N -0.20 0.72 0.00 1.69 4.81 -1.00 0.48 114.58 121.08 1i7a h GLU 105 Ca -0.02 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1i7a h GLU 105 Cb 0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1i7a h GLU 105 CO 0.03 0.52 -0.33 0.28 -0.73 0.00 0.00 179.01 178.78 1i7a h VAL 106 N 0.72 1.23 0.00 0.32 2.07 -0.37 -3.15 116.25 117.08 1i7a h VAL 106 Ca 0.19 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1i7a h VAL 106 Cb -0.02 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1i7a h VAL 106 CO -0.04 0.33 -0.13 -0.09 0.02 0.00 0.00 177.57 177.67 1i7a h ARG 107 N 0.00 0.08 -0.91 1.57 2.43 -0.57 -3.24 114.38 113.75 1i7a h ARG 107 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1i7a h ARG 107 Cb 0.60 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1i7a h ARG 107 CO 0.04 0.88 0.00 -1.91 -1.51 0.00 0.00 179.97 177.47 1i7a n GLU 108 N -4.60 0.57 -2.54 0.20 2.13 0.11 -2.80 120.64 113.72 1i7a n GLU 108 Ca -0.10 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.71 1i7a n GLU 108 Cb 0.46 -1.26 0.05 0.00 0.27 0.00 0.00 31.44 30.95 1i7a n GLU 108 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i7a n ALA 109 N 0.41 2.78 -1.79 4.31 0.00 -1.22 -4.74 120.51 120.26 1i7a n ALA 109 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1i7a n ALA 109 Cb 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.46 0.65 1.56 0.00 0.00 -1.12 -5.04 120.51 116.09 1i7a n ALA 110 Ca 0.10 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1i7a n ALA 110 Cb 0.86 0.00 0.74 0.00 0.00 0.00 0.00 19.45 21.05 1i7a n ALA 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04