#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 2.18 0.94 3.44 -1.52 -1.26 -5.12 119.66 118.32 1i7a s GLN 4 Ca 0.00 -1.58 -0.11 0.00 -1.95 0.00 0.00 55.36 51.72 1i7a s GLN 4 Cb 0.00 -2.05 0.16 0.00 -0.22 0.00 0.00 33.01 30.89 1i7a s GLN 4 CO 0.00 0.24 1.10 -2.14 -0.25 0.00 0.00 175.29 174.24 1i7a s PRO 5 N -3.70 0.86 0.47 2.91 0.02 -1.26 -4.87 135.00 129.42 1i7a s PRO 5 Ca 0.33 1.16 0.19 0.00 0.02 0.00 0.00 61.00 62.70 1i7a s PRO 5 Cb -0.04 -1.74 1.18 0.00 0.02 0.00 0.00 34.50 33.93 1i7a s PRO 5 CO 0.20 -2.61 1.97 0.82 -0.33 0.00 0.00 177.00 177.04 1i7a h ILE 6 N -1.84 0.80 -1.36 2.83 1.08 -1.76 -3.43 117.51 113.83 1i7a h ILE 6 Ca -0.49 -0.09 0.13 0.00 -0.39 0.00 0.00 64.86 64.03 1i7a h ILE 6 Cb 1.28 0.53 -0.28 0.00 -3.07 0.00 0.00 36.82 35.28 1i7a h ILE 6 CO 0.48 0.05 0.66 0.12 -0.69 0.00 0.00 178.15 178.77 1i7a s PHE 7 N -5.25 -0.27 0.02 1.37 5.36 -1.25 -4.95 117.98 113.01 1i7a s PHE 7 Ca -0.07 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1i7a s PHE 7 Cb 0.20 0.43 -0.02 0.00 -0.34 0.00 0.00 43.02 43.29 1i7a s PHE 7 CO 0.75 -0.16 -0.03 -0.08 -1.46 0.00 0.00 175.22 174.23 1i7a s THR 8 N -0.21 0.14 0.17 0.12 -1.32 -1.26 -0.85 115.64 112.43 1i7a s THR 8 Ca 0.04 -0.96 -0.24 0.00 -1.21 0.00 0.00 61.69 59.32 1i7a s THR 8 Cb -0.04 -0.33 0.06 0.00 -1.51 0.00 0.00 72.50 70.68 1i7a s THR 8 CO -0.08 -0.51 0.94 0.28 -2.21 0.00 0.00 174.62 173.03 1i7a s THR 9 N -1.56 0.00 -0.08 5.08 -1.32 -0.40 -4.99 115.64 112.38 1i7a s THR 9 Ca -0.15 -0.71 0.04 0.00 -1.21 0.00 0.00 61.69 59.66 1i7a s THR 9 Cb -0.09 -2.04 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 1i7a s THR 9 CO -0.01 0.00 -0.20 -0.13 -2.21 0.00 0.00 174.62 172.06 1i7a s ARG 10 N -3.30 2.84 -0.07 7.08 0.52 -1.26 0.29 118.95 125.04 1i7a s ARG 10 Ca 0.13 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.22 1i7a s ARG 10 Cb -0.02 -2.33 0.11 0.00 0.52 0.00 0.00 34.95 33.23 1i7a s ARG 10 CO 0.03 0.34 0.93 0.00 0.02 0.00 0.00 175.30 176.62 1i7a s ALA 11 N -0.03 -1.87 0.12 2.13 0.00 -0.46 -4.63 121.76 117.03 1i7a s ALA 11 Ca -0.06 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 1i7a s ALA 11 Cb -0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 1i7a s ALA 11 CO 0.05 -0.52 0.99 -1.01 0.00 0.00 0.00 175.76 175.27 1i7a s HIS 12 N -2.21 3.77 -0.11 0.00 3.76 -0.40 -2.67 115.29 117.44 1i7a s HIS 12 Ca 0.02 1.76 -0.04 0.00 -0.15 0.00 0.00 55.06 56.64 1i7a s HIS 12 Cb -0.01 -3.10 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 1i7a s HIS 12 CO -0.04 0.03 0.05 0.08 -0.85 0.00 0.00 174.74 174.01 1i7a s VAL 13 N -0.05 4.73 0.34 -0.90 1.01 -1.26 -0.39 120.40 123.87 1i7a s VAL 13 Ca 0.48 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.43 1i7a s VAL 13 Cb -0.25 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1i7a s VAL 13 CO 0.31 0.60 0.23 -0.36 0.00 0.00 0.00 175.10 175.88 1i7a s PHE 14 N -0.79 1.72 0.10 5.22 0.40 -0.44 0.50 117.98 124.68 1i7a s PHE 14 Ca 0.13 -1.56 -0.26 0.00 -0.60 0.00 0.00 56.93 54.64 1i7a s PHE 14 Cb -0.12 -0.81 0.09 0.00 0.51 0.00 0.00 43.02 42.69 1i7a s PHE 14 CO 0.03 -0.72 1.11 1.14 0.70 0.00 0.00 175.22 177.47 1i7a s GLN 15 N -3.56 0.93 0.20 0.44 -2.07 -0.75 -2.07 119.66 112.78 1i7a s GLN 15 Ca 0.37 -0.56 0.11 0.00 -1.82 0.00 0.00 55.36 53.45 1i7a s GLN 15 Cb 0.03 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1i7a s GLN 15 CO 0.23 -0.43 -0.18 0.42 -1.32 0.00 0.00 175.29 174.01 1i7a s ILE 16 N -2.54 2.66 0.00 3.63 -1.09 -1.00 -0.96 121.20 121.91 1i7a s ILE 16 Ca 0.18 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.65 1i7a s ILE 16 Cb -0.00 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1i7a s ILE 16 CO 0.01 -0.15 0.00 0.59 -1.23 0.00 0.00 174.94 174.16 1i7a n ASN 23 N 0.06 0.00 -4.74 3.58 3.02 -1.26 -4.07 115.26 111.86 1i7a n ASN 23 Ca -0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 1i7a n ASN 23 Cb 0.56 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.72 1i7a n ASN 23 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1i7a n TRP 24 N -0.16 2.71 -3.73 3.10 5.03 -1.26 -5.02 117.44 118.11 1i7a n TRP 24 Ca 0.00 0.41 -0.15 0.00 3.03 0.00 0.00 57.50 60.79 1i7a n TRP 24 Cb 0.00 -2.52 -0.15 0.00 -1.03 0.00 0.00 31.31 27.61 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 -0.63 -0.09 0.27 -0.99 0.11 -0.13 -4.94 120.40 114.00 1i7a s VAL 25 Ca 0.59 0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 59.57 1i7a s VAL 25 Cb -0.52 -0.22 -0.14 0.00 -1.53 0.00 0.00 36.38 33.97 1i7a s VAL 25 CO 0.57 0.09 1.21 -2.65 -3.33 0.00 0.00 175.10 170.99 1i7a n PRO 26 N 4.44 1.70 -0.00 1.54 -0.02 -1.26 -1.81 135.00 139.59 1i7a n PRO 26 Ca -0.22 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.89 1i7a n PRO 26 Cb 0.51 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 1i7a n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i7a n ALA 27 N 0.88 2.36 -2.66 3.55 0.00 0.18 -4.85 120.51 119.97 1i7a n ALA 27 Ca 0.10 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 1i7a n ALA 27 Cb 0.32 -0.24 -0.16 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.59 2.90 0.00 0.00 1.04 -1.10 -4.96 113.70 108.99 1i7a s SER 28 Ca -0.02 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.02 1i7a s SER 28 Cb 0.05 -0.68 0.41 0.00 0.10 0.00 0.00 66.02 65.90 1i7a s SER 28 CO 0.29 0.25 1.17 0.29 0.98 0.00 0.00 173.24 176.21 1i7a n LYS 29 N 2.86 0.09 -2.50 4.02 5.02 -1.26 -4.78 118.16 121.61 1i7a n LYS 29 Ca -0.17 0.24 0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1i7a n LYS 29 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1i7a n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i7a n GLN 30 N -1.33 0.03 -2.33 1.97 10.64 -1.26 -5.11 117.38 120.00 1i7a n GLN 30 Ca 0.04 -0.19 -0.43 0.00 -1.83 0.00 0.00 57.00 54.59 1i7a n GLN 30 Cb 0.07 0.34 -0.02 0.00 -0.86 0.00 0.00 30.24 29.77 1i7a n GLN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1i7a s ALA 31 N -1.29 3.61 0.32 2.61 0.00 -1.26 -4.61 121.76 121.14 1i7a s ALA 31 Ca 0.09 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1i7a s ALA 31 Cb -0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 1i7a s ALA 31 CO -0.00 -1.10 0.02 0.14 0.00 0.00 0.00 175.76 174.81 1i7a s VAL 32 N 3.20 1.39 0.19 0.00 -7.23 -1.09 -4.81 120.40 112.06 1i7a s VAL 32 Ca 0.60 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 1i7a s VAL 32 Cb -0.26 -2.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 1i7a s VAL 32 CO 0.20 -0.10 1.23 -0.89 -0.31 0.00 0.00 175.10 175.23 1i7a s THR 33 N -3.16 3.45 -0.06 5.32 2.01 -1.26 -1.35 115.64 120.59 1i7a s THR 33 Ca 0.34 1.22 0.04 0.00 0.31 0.00 0.00 61.69 63.61 1i7a s THR 33 Cb 0.07 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 1i7a s THR 33 CO 0.14 0.20 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.38 1i7a s VAL 34 N -0.06 1.66 0.06 3.82 1.01 0.14 -4.31 120.40 122.73 1i7a s VAL 34 Ca 0.54 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1i7a s VAL 34 Cb -0.34 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1i7a s VAL 34 CO 0.38 0.47 0.05 -0.44 0.00 0.00 0.00 175.10 175.56 1i7a s SER 35 N 0.16 0.33 -0.08 3.32 0.01 -0.48 -1.27 113.70 115.67 1i7a s SER 35 Ca -0.09 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 1i7a s SER 35 Cb -0.14 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 1i7a s SER 35 CO 0.04 -0.60 -0.01 -0.31 0.41 0.00 0.00 173.24 172.77 1i7a s TYR 36 N -3.56 3.13 0.05 2.43 1.51 -0.03 -0.05 117.35 120.84 1i7a s TYR 36 Ca 0.03 0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1i7a s TYR 36 Cb 0.05 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1i7a s TYR 36 CO -0.09 0.45 0.01 -0.06 -1.11 0.00 0.00 175.55 174.75 1i7a s PHE 37 N -0.86 0.44 -0.32 2.71 0.08 -0.44 -1.90 117.98 117.69 1i7a s PHE 37 Ca 0.13 -0.95 -0.16 0.00 0.12 0.00 0.00 56.93 56.07 1i7a s PHE 37 Cb -0.11 -0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.00 1i7a s PHE 37 CO 0.02 -0.40 0.41 -0.47 -0.10 0.00 0.00 175.22 174.69 1i7a s TYR 38 N -3.77 3.21 -1.19 0.36 5.04 -1.26 -0.98 117.35 118.76 1i7a s TYR 38 Ca 0.05 0.16 -0.19 0.00 -2.44 0.00 0.00 57.07 54.65 1i7a s TYR 38 Cb 0.06 -2.72 0.08 0.00 0.35 0.00 0.00 41.96 39.73 1i7a s TYR 38 CO -0.10 -0.41 1.59 0.34 -1.34 0.00 0.00 175.55 175.64 1i7a s ASP 39 N 1.71 6.75 0.17 4.32 -1.08 0.28 -4.89 116.67 123.93 1i7a s ASP 39 Ca 0.15 -2.17 -0.18 0.00 -0.52 0.00 0.00 52.55 49.83 1i7a s ASP 39 Cb -0.16 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 38.86 1i7a s ASP 39 CO 0.12 -1.23 1.27 0.52 0.52 0.00 0.00 175.17 176.37 1i7a n VAL 40 N 6.35 -0.47 0.49 1.11 0.31 -1.26 -0.05 118.33 124.80 1i7a n VAL 40 Ca 0.42 1.95 -0.20 0.00 -0.01 0.00 0.00 64.34 66.49 1i7a n VAL 40 Cb 0.47 -2.52 -0.10 0.00 -0.91 0.00 0.00 33.84 30.79 1i7a n VAL 40 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1i7a h THR 41 N 0.00 0.10 0.00 2.52 1.35 -1.96 -2.82 112.91 112.10 1i7a h THR 41 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1i7a h THR 41 Cb 0.44 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1i7a h THR 41 CO -0.80 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.01 1i7a n ARG 42 N -5.62 0.07 -3.41 4.72 1.74 -0.99 -4.92 116.66 108.25 1i7a n ARG 42 Ca -0.16 0.16 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1i7a n ARG 42 Cb 0.49 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.45 -6.18 -3.27 0.55 5.03 0.92 -5.01 115.26 105.86 1i7a n ASN 43 Ca 0.06 -0.81 -0.08 0.00 0.87 0.00 0.00 54.58 54.61 1i7a n ASN 43 Cb 0.20 -4.49 0.01 0.00 -1.02 0.00 0.00 39.78 34.48 1i7a n ASN 43 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1i7a s SER 44 N -3.41 -0.08 -0.08 6.41 1.04 -1.17 -5.00 113.70 111.41 1i7a s SER 44 Ca 0.45 -0.96 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 1i7a s SER 44 Cb -0.10 0.81 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 1i7a s SER 44 CO 0.79 -1.56 0.06 -0.31 0.98 0.00 0.00 173.24 173.19 1i7a s TYR 45 N -2.90 3.31 0.00 5.02 1.51 -1.26 0.98 117.35 124.01 1i7a s TYR 45 Ca 0.14 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.51 1i7a s TYR 45 Cb -0.05 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1i7a s TYR 45 CO 0.10 0.56 -0.05 0.50 -1.11 0.00 0.00 175.55 175.55 1i7a s ARG 46 N -1.10 0.43 -0.20 -0.62 3.52 -0.15 -2.02 118.95 118.81 1i7a s ARG 46 Ca 0.16 -0.26 -0.17 0.00 -0.13 0.00 0.00 55.73 55.32 1i7a s ARG 46 Cb -0.12 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.85 1i7a s ARG 46 CO 0.05 0.10 0.46 0.42 -0.81 0.00 0.00 175.30 175.52 1i7a s ILE 47 N -0.29 5.15 -0.05 4.11 1.01 -0.23 -1.33 121.20 129.57 1i7a s ILE 47 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1i7a s ILE 47 Cb -0.03 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1i7a s ILE 47 CO -0.00 0.22 -0.11 -0.63 0.00 0.00 0.00 174.94 174.42 1i7a s ILE 48 N 1.45 0.98 -0.05 2.92 1.01 0.93 -1.56 121.20 126.88 1i7a s ILE 48 Ca 0.22 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1i7a s ILE 48 Cb -0.15 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.45 1i7a s ILE 48 CO 0.09 0.31 0.12 -0.55 0.00 0.00 0.00 174.94 174.92 1i7a s SER 49 N 0.57 -0.08 0.30 3.58 0.15 -0.32 -1.39 113.70 116.51 1i7a s SER 49 Ca -0.11 0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.89 1i7a s SER 49 Cb -0.14 0.16 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1i7a s SER 49 CO 0.02 -0.13 -0.14 0.68 1.20 0.00 0.00 173.24 174.88 1i7a s VAL 50 N 0.97 2.22 -0.29 4.45 -7.23 -1.26 -0.65 120.40 118.61 1i7a s VAL 50 Ca -0.08 -2.28 0.02 0.00 -1.81 0.00 0.00 61.98 57.83 1i7a s VAL 50 Cb -0.10 -2.43 0.19 0.00 0.56 0.00 0.00 36.38 34.60 1i7a s VAL 50 CO -0.05 -0.33 0.57 -0.62 -0.31 0.00 0.00 175.10 174.36 1i7a s ASP 51 N -3.52 -1.25 0.77 4.85 2.15 -0.40 -4.70 116.67 114.56 1i7a s ASP 51 Ca 0.30 0.49 0.00 0.00 0.43 0.00 0.00 52.55 53.77 1i7a s ASP 51 Cb -0.01 1.97 0.00 0.00 -0.30 0.00 0.00 42.92 44.59 1i7a s ASP 51 CO 0.14 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1i7a n GLY 52 N 5.42 1.34 0.40 2.66 0.00 -1.26 -2.76 105.19 110.99 1i7a n GLY 52 Ca 0.01 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 9.33 2.51 -2.47 4.61 0.00 -1.26 -4.89 120.51 128.34 1i7a n ALA 53 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 1i7a n ALA 53 Cb 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 1i7a n ALA 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1i7a s LYS 54 N -1.78 1.27 -0.38 0.00 -2.85 -1.11 -5.09 119.74 109.80 1i7a s LYS 54 Ca 0.25 -1.29 -0.12 0.00 -1.00 0.00 0.00 55.97 53.80 1i7a s LYS 54 Cb 0.13 -1.58 0.02 0.00 -2.06 0.00 0.00 37.83 34.34 1i7a s LYS 54 CO 0.19 0.36 0.23 0.54 0.10 0.00 0.00 175.35 176.77 1i7a s VAL 55 N -1.32 4.81 -0.19 1.79 0.11 -1.26 -1.27 120.40 123.07 1i7a s VAL 55 Ca 0.12 -0.73 0.18 0.00 -2.93 0.00 0.00 61.98 58.62 1i7a s VAL 55 Cb -0.09 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 1i7a s VAL 55 CO 0.06 -0.22 1.10 0.16 -3.33 0.00 0.00 175.10 172.87 1i7a h ILE 56 N 5.76 0.40 -3.33 7.04 3.07 -1.21 -3.45 117.51 125.79 1i7a h ILE 56 Ca -0.27 -1.69 -0.45 0.00 1.55 0.00 0.00 64.86 64.01 1i7a h ILE 56 Cb 1.12 1.98 -0.36 0.00 -0.27 0.00 0.00 36.82 39.28 1i7a h ILE 56 CO 0.68 0.23 -0.78 -0.63 -1.05 0.00 0.00 178.15 176.60 1i7a s ILE 57 N -3.07 0.61 -0.42 0.16 1.01 -0.85 -4.95 121.20 113.68 1i7a s ILE 57 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.66 1i7a s ILE 57 Cb 0.08 -0.67 0.31 0.00 0.01 0.00 0.00 42.46 42.20 1i7a s ILE 57 CO 0.78 0.27 0.85 -3.20 0.00 0.00 0.00 174.94 173.64 1i7a n ASN 58 N 4.61 -0.73 -4.66 3.58 5.15 -1.12 -1.17 115.26 120.92 1i7a n ASN 58 Ca -0.16 -3.23 -0.35 0.00 -0.60 0.00 0.00 54.58 50.24 1i7a n ASN 58 Cb 0.50 0.50 -0.09 0.00 -0.53 0.00 0.00 39.78 40.16 1i7a n ASN 58 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1i7a s SER 59 N -1.79 5.85 -0.21 1.20 0.15 -0.60 -4.91 113.70 113.39 1i7a s SER 59 Ca 0.32 0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.82 1i7a s SER 59 Cb 0.29 -2.02 -0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1i7a s SER 59 CO -0.09 0.15 0.92 -0.89 1.20 0.00 0.00 173.24 174.52 1i7a s THR 60 N 0.56 4.78 -0.49 6.45 2.01 -1.26 -1.06 115.64 126.63 1i7a s THR 60 Ca 0.05 1.79 -0.23 0.00 0.31 0.00 0.00 61.69 63.61 1i7a s THR 60 Cb -0.12 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.21 1i7a s THR 60 CO 0.01 -0.09 0.81 -0.63 -0.69 0.00 0.00 174.62 174.03 1i7a s ILE 61 N 2.77 4.60 0.34 1.82 -1.09 -0.86 -5.00 121.20 123.78 1i7a s ILE 61 Ca 0.40 0.28 0.07 0.00 -2.23 0.00 0.00 60.65 59.17 1i7a s ILE 61 Cb -0.16 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.32 1i7a s ILE 61 CO 0.09 -0.84 0.30 0.42 -1.23 0.00 0.00 174.94 173.68 1i7a s THR 62 N 3.40 3.53 0.24 2.92 -4.23 -1.26 -4.61 115.64 115.62 1i7a s THR 62 Ca 0.28 -1.35 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1i7a s THR 62 Cb -0.13 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.72 1i7a s THR 62 CO 0.20 -0.17 1.81 -0.65 -0.54 0.00 0.00 174.62 175.27 1i7a h PRO 63 N 1.22 0.73 0.00 3.99 0.11 -1.95 -2.20 132.00 133.91 1i7a h PRO 63 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1i7a h PRO 63 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1i7a h PRO 63 CO 0.58 0.49 0.00 0.27 -0.21 0.00 0.00 178.00 179.13 1i7a n ASN 64 N -4.76 0.00 -4.88 -2.05 6.94 -1.26 -4.73 115.26 104.53 1i7a n ASN 64 Ca 0.12 0.16 -0.31 0.00 -0.02 0.00 0.00 54.58 54.53 1i7a n ASN 64 Cb 0.25 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.31 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 -2.61 3.79 0.04 -3.83 -1.94 -0.83 -5.10 119.30 108.83 1i7a s MET 65 Ca 0.10 0.28 0.01 0.00 -1.71 0.00 0.00 55.69 54.37 1i7a s MET 65 Cb 0.08 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 1i7a s MET 65 CO 0.18 0.28 -0.06 0.95 -0.01 0.00 0.00 175.02 176.36 1i7a s THR 66 N -1.89 0.42 -0.45 2.05 -4.23 -1.26 -4.93 115.64 105.35 1i7a s THR 66 Ca 0.48 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1i7a s THR 66 Cb -0.11 -0.75 0.12 0.00 1.34 0.00 0.00 72.50 73.10 1i7a s THR 66 CO 0.22 -0.54 0.26 0.12 -0.54 0.00 0.00 174.62 174.14 1i7a s PHE 67 N -1.95 3.55 0.04 3.99 5.36 -1.26 -4.33 117.98 123.37 1i7a s PHE 67 Ca -0.07 -2.37 -0.27 0.00 -0.96 0.00 0.00 56.93 53.26 1i7a s PHE 67 Cb -0.06 -3.27 -0.05 0.00 -0.34 0.00 0.00 43.02 39.30 1i7a s PHE 67 CO -0.02 -0.96 0.85 0.99 -1.46 0.00 0.00 175.22 174.62 1i7a s THR 68 N 1.03 4.72 -0.56 0.12 2.01 -0.75 -4.88 115.64 117.33 1i7a s THR 68 Ca 0.09 1.80 -0.19 0.00 0.31 0.00 0.00 61.69 63.70 1i7a s THR 68 Cb -0.23 -4.20 0.08 0.00 0.01 0.00 0.00 72.50 68.17 1i7a s THR 68 CO -0.04 0.31 0.68 -0.75 -0.69 0.00 0.00 174.62 174.13 1i7a s LYS 69 N 0.22 3.08 -0.07 4.92 2.20 -1.26 -1.37 119.74 127.46 1i7a s LYS 69 Ca 0.43 -1.14 -0.20 0.00 -0.36 0.00 0.00 55.97 54.70 1i7a s LYS 69 Cb -0.21 -4.20 -0.15 0.00 -1.51 0.00 0.00 37.83 31.76 1i7a s LYS 69 CO 0.25 -1.43 0.77 1.79 -0.36 0.00 0.00 175.35 176.38 1i7a h THR 70 N 5.90 0.86 -3.08 3.43 1.35 -1.76 -3.48 112.91 116.14 1i7a h THR 70 Ca -0.29 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1i7a h THR 70 Cb 1.09 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1i7a h THR 70 CO 1.05 0.24 0.00 -1.54 -0.25 0.00 0.00 175.52 175.02 1i7a n SER 71 N -4.88 1.48 0.06 5.36 3.41 -0.79 -5.01 113.62 113.24 1i7a n SER 71 Ca -0.07 -0.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.43 1i7a n SER 71 Cb 0.26 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 1i7a n SER 71 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1i7a h GLN 72 N 0.00 0.00 0.00 4.33 3.07 -2.02 -3.36 115.11 117.13 1i7a h GLN 72 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1i7a h GLN 72 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 1i7a h GLN 72 CO 0.00 0.61 -0.30 1.63 0.09 0.00 0.00 178.83 180.86 1i7a n LYS 73 N -3.16 0.88 -3.75 0.06 5.02 -1.26 -4.45 118.16 111.50 1i7a n LYS 73 Ca -0.05 -2.23 -0.15 0.00 -2.02 0.00 0.00 58.31 53.86 1i7a n LYS 73 Cb 0.89 -1.12 -0.16 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.93 -0.02 0.25 2.13 2.19 -1.26 -0.52 117.98 118.83 1i7a s PHE 74 Ca 0.25 0.25 0.03 0.00 0.33 0.00 0.00 56.93 57.78 1i7a s PHE 74 Cb 0.23 -0.23 -0.05 0.00 -1.31 0.00 0.00 43.02 41.66 1i7a s PHE 74 CO -0.01 -0.13 0.04 0.20 1.83 0.00 0.00 175.22 177.16 1i7a s GLY 75 N 1.26 1.69 0.26 13.12 0.00 -0.88 -1.89 107.32 120.88 1i7a s GLY 75 Ca -0.07 -1.85 -0.10 0.00 0.00 0.00 0.00 44.72 42.70 1i7a s GLY 75 CO -0.04 -1.66 0.44 -0.86 0.00 0.00 0.00 173.10 170.98 1i7a s GLN 76 N -3.93 1.58 -0.10 2.90 -2.07 -0.47 -0.55 119.66 117.01 1i7a s GLN 76 Ca 0.33 -1.39 -0.31 0.00 -1.82 0.00 0.00 55.36 52.17 1i7a s GLN 76 Cb 0.07 0.44 0.10 0.00 -1.09 0.00 0.00 33.01 32.53 1i7a s GLN 76 CO 0.11 -0.65 0.84 1.67 -1.32 0.00 0.00 175.29 175.94 1i7a s TRP 77 N -3.83 -0.52 0.01 9.60 -2.14 0.19 -1.80 118.94 120.45 1i7a s TRP 77 Ca 0.26 0.88 -0.01 0.00 2.66 0.00 0.00 56.10 59.89 1i7a s TRP 77 Cb 0.00 0.43 -0.04 0.00 -3.10 0.00 0.00 33.47 30.76 1i7a s TRP 77 CO 0.11 -0.48 0.15 0.00 -2.66 0.00 0.00 176.95 174.08 1i7a s ALA 78 N -1.16 3.83 -0.32 2.67 0.00 -1.26 -0.18 121.76 125.34 1i7a s ALA 78 Ca -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1i7a s ALA 78 Cb -0.00 -1.76 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1i7a s ALA 78 CO 0.06 0.75 0.09 0.34 0.00 0.00 0.00 175.76 176.99 1i7a s ASP 79 N -2.01 4.24 0.27 0.00 -1.08 -0.44 -4.84 116.67 112.81 1i7a s ASP 79 Ca 0.27 -1.81 0.01 0.00 -0.52 0.00 0.00 52.55 50.51 1i7a s ASP 79 Cb -0.12 -1.09 0.37 0.00 -1.46 0.00 0.00 42.92 40.62 1i7a s ASP 79 CO 0.19 -0.40 1.72 0.28 0.52 0.00 0.00 175.17 177.47 1i7a h SER 80 N 7.93 0.56 0.21 -0.34 0.02 -1.96 0.42 113.55 120.39 1i7a h SER 80 Ca -0.11 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1i7a h SER 80 Cb 1.01 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 1i7a h SER 80 CO 0.49 0.78 -0.09 -0.09 -1.14 0.00 0.00 176.83 176.77 1i7a h ARG 81 N 0.50 0.00 0.00 3.45 9.65 -1.95 -1.70 114.38 124.33 1i7a h ARG 81 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1i7a h ARG 81 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1i7a h ARG 81 CO 0.05 0.09 -0.70 0.00 2.80 0.00 0.00 179.97 182.21 1i7a n ALA 82 N -2.34 3.86 -3.49 2.80 0.00 -0.96 -5.01 120.51 115.36 1i7a n ALA 82 Ca -0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 53.44 52.77 1i7a n ALA 82 Cb 0.19 -0.52 0.05 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.35 -5.95 -3.57 0.00 5.15 0.14 -5.01 115.26 104.68 1i7a n ASN 83 Ca 0.03 -0.87 -0.11 0.00 -0.60 0.00 0.00 54.58 53.03 1i7a n ASN 83 Cb 0.23 -4.16 -0.05 0.00 -0.53 0.00 0.00 39.78 35.27 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 -3.42 0.00 -0.14 -0.44 -1.32 -0.86 -5.03 115.64 104.43 1i7a s THR 84 Ca 0.46 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.89 1i7a s THR 84 Cb -0.12 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1i7a s THR 84 CO 0.81 0.00 0.02 -0.69 -2.21 0.00 0.00 174.62 172.55 1i7a s VAL 85 N -1.34 4.46 -0.16 5.08 1.01 -1.26 -1.33 120.40 126.86 1i7a s VAL 85 Ca -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1i7a s VAL 85 Cb -0.00 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1i7a s VAL 85 CO 0.01 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.28 1i7a s PHE 86 N -0.11 3.12 0.12 5.22 0.08 0.74 -2.37 117.98 124.79 1i7a s PHE 86 Ca 0.05 -0.13 0.10 0.00 0.12 0.00 0.00 56.93 57.06 1i7a s PHE 86 Cb -0.12 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1i7a s PHE 86 CO 0.02 0.06 -0.24 0.20 -0.10 0.00 0.00 175.22 175.16 1i7a s GLY 87 N 0.30 1.42 -0.00 4.36 0.00 -0.88 -0.64 107.32 111.88 1i7a s GLY 87 Ca -0.01 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.35 1i7a s GLY 87 CO 0.02 -1.37 -0.03 1.08 0.00 0.00 0.00 173.10 172.80 1i7a s LEU 88 N -2.05 1.93 -0.26 0.66 1.43 0.28 -1.33 118.68 119.35 1i7a s LEU 88 Ca 0.11 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1i7a s LEU 88 Cb -0.10 -0.16 0.03 0.00 0.03 0.00 0.00 46.19 45.99 1i7a s LEU 88 CO 0.05 0.02 -0.04 -0.83 0.23 0.00 0.00 176.35 175.78 1i7a s GLY 89 N 0.03 1.65 0.31 -3.19 0.00 0.47 -2.07 107.32 104.52 1i7a s GLY 89 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1i7a s GLY 89 CO -0.00 0.54 0.50 -1.36 0.00 0.00 0.00 173.10 172.78 1i7a s PHE 90 N 1.33 3.49 -1.09 1.90 0.40 0.32 -1.28 117.98 123.06 1i7a s PHE 90 Ca -0.00 0.28 0.28 0.00 -0.60 0.00 0.00 56.93 56.90 1i7a s PHE 90 Cb -0.17 -1.83 1.14 0.00 0.51 0.00 0.00 43.02 42.67 1i7a s PHE 90 CO -0.04 0.21 1.85 -1.13 0.70 0.00 0.00 175.22 176.82 1i7a n SER 91 N -1.58 0.12 -3.61 1.36 3.41 -1.26 -4.87 113.62 107.20 1i7a n SER 91 Ca -0.06 0.22 -0.14 0.00 -0.26 0.00 0.00 58.87 58.64 1i7a n SER 91 Cb 0.56 -0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.92 -0.41 0.47 4.04 1.04 -1.26 -5.02 113.70 109.64 1i7a s SER 92 Ca 0.16 0.20 0.17 0.00 0.48 0.00 0.00 55.95 56.95 1i7a s SER 92 Cb 0.19 0.46 1.12 0.00 0.10 0.00 0.00 66.02 67.89 1i7a s SER 92 CO 0.55 -0.66 2.03 -0.33 0.98 0.00 0.00 173.24 175.80 1i7a h GLU 93 N 2.98 0.00 0.73 4.02 5.08 -1.90 -2.97 114.58 122.53 1i7a h GLU 93 Ca -0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1i7a h GLU 93 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1i7a h GLU 93 CO 0.41 0.15 -0.37 1.25 -1.00 0.00 0.00 179.01 179.45 1i7a h LEU 94 N 0.00 -0.89 -0.81 1.33 7.12 -1.95 -1.55 115.31 118.56 1i7a h LEU 94 Ca -0.00 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.17 1i7a h LEU 94 Cb 0.28 0.24 -0.08 0.00 -0.53 0.00 0.00 40.66 40.56 1i7a h LEU 94 CO 0.02 -0.61 0.42 1.56 -0.13 0.00 0.00 178.44 179.70 1i7a h GLN 95 N -1.01 0.63 0.29 1.25 4.20 -1.95 -1.68 115.11 116.85 1i7a h GLN 95 Ca -0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1i7a h GLN 95 Cb 0.78 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1i7a h GLN 95 CO 0.15 0.42 -0.21 1.25 -0.67 0.00 0.00 178.83 179.76 1i7a h LEU 96 N 0.65 -0.55 -0.34 1.46 5.85 -1.37 -1.44 115.31 119.56 1i7a h LEU 96 Ca 0.42 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.25 1i7a h LEU 96 Cb 0.53 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1i7a h LEU 96 CO -0.32 -0.33 -0.03 0.74 -0.34 0.00 0.00 178.44 178.16 1i7a h THR 97 N -0.50 0.71 -0.43 1.05 2.02 -0.71 -0.22 112.91 114.83 1i7a h THR 97 Ca -0.02 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1i7a h THR 97 Cb 0.44 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1i7a h THR 97 CO -0.00 0.01 0.18 0.11 0.37 0.00 0.00 175.52 176.19 1i7a h LYS 98 N 0.06 0.35 -0.11 6.66 1.79 -1.15 0.23 116.57 124.41 1i7a h LYS 98 Ca 0.17 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.55 1i7a h LYS 98 Cb 0.24 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1i7a h LYS 98 CO -0.30 0.23 -0.24 0.35 -1.08 0.00 0.00 179.45 178.41 1i7a h PHE 99 N 0.36 0.20 -0.42 -1.35 3.04 -0.85 -1.36 116.94 116.56 1i7a h PHE 99 Ca 0.19 -0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.01 1i7a h PHE 99 Cb 0.15 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1i7a h PHE 99 CO -0.13 0.42 -0.13 0.00 -2.02 0.00 0.00 178.31 176.44 1i7a h ALA 100 N 1.59 0.58 -0.23 2.41 0.00 -0.05 -2.21 119.26 121.35 1i7a h ALA 100 Ca 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1i7a h ALA 100 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1i7a h ALA 100 CO 0.04 0.49 0.04 0.93 0.00 0.00 0.00 179.25 180.75 1i7a h GLU 101 N 0.66 0.38 -0.82 0.00 5.08 -0.54 -2.78 114.58 116.55 1i7a h GLU 101 Ca 0.10 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1i7a h GLU 101 Cb 0.68 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1i7a h GLU 101 CO 0.05 0.51 0.53 0.87 -1.00 0.00 0.00 179.01 179.98 1i7a h LYS 102 N 0.18 0.83 0.08 2.33 1.79 -1.23 0.14 116.57 120.69 1i7a h LYS 102 Ca 0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1i7a h LYS 102 Cb 0.32 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1i7a h LYS 102 CO 0.00 0.55 -0.08 0.35 -1.08 0.00 0.00 179.45 179.20 1i7a h PHE 103 N 0.86 -0.20 -0.16 -1.35 3.04 -1.16 0.75 116.94 118.72 1i7a h PHE 103 Ca 0.36 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 1i7a h PHE 103 Cb 0.29 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1i7a h PHE 103 CO -0.00 -0.12 0.06 0.37 -2.02 0.00 0.00 178.31 176.60 1i7a h GLN 104 N -0.17 0.24 -0.14 1.11 4.15 -1.09 -1.85 115.11 117.35 1i7a h GLN 104 Ca 0.01 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1i7a h GLN 104 Cb 0.17 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.76 1i7a h GLN 104 CO -0.03 0.32 -0.30 1.49 -1.93 0.00 0.00 178.83 178.39 1i7a h GLU 105 N 0.10 -0.36 -0.83 1.69 4.81 -0.50 -1.09 114.58 118.41 1i7a h GLU 105 Ca 0.05 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1i7a h GLU 105 Cb 0.18 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1i7a h GLU 105 CO -0.00 -0.24 0.48 0.28 -0.73 0.00 0.00 179.01 178.80 1i7a h VAL 106 N -0.37 0.92 0.15 0.32 2.07 -0.75 -0.37 116.25 118.22 1i7a h VAL 106 Ca 0.10 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1i7a h VAL 106 Cb 0.52 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1i7a h VAL 106 CO -0.35 0.15 -0.07 0.03 0.02 0.00 0.00 177.57 177.35 1i7a h ARG 107 N 0.81 -0.19 -0.73 1.57 3.08 -0.44 -1.39 114.38 117.09 1i7a h ARG 107 Ca 0.40 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.48 1i7a h ARG 107 Cb 0.36 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1i7a h ARG 107 CO -0.24 -0.08 0.48 0.93 -1.07 0.00 0.00 179.97 179.99 1i7a h GLU 108 N -0.25 0.95 0.00 0.04 5.08 -0.84 -0.92 114.58 118.62 1i7a h GLU 108 Ca -0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1i7a h GLU 108 Cb 0.20 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1i7a h GLU 108 CO 0.03 0.63 -0.04 0.00 -1.00 0.00 0.00 179.01 178.63 1i7a h ALA 109 N 1.28 1.53 -0.18 3.43 0.00 -0.90 -2.24 119.26 122.18 1i7a h ALA 109 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1i7a h ALA 109 Cb -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1i7a h ALA 109 CO -0.07 0.05 -0.11 0.00 0.00 0.00 0.00 179.25 179.12 1i7a h ALA 110 N 1.96 0.25 0.00 0.00 0.00 -0.02 -3.51 119.26 117.94 1i7a h ALA 110 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1i7a h ALA 110 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1i7a h ALA 110 CO 0.01 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.89